USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 CYS SG : rot 103:sc= 0.458 USER MOD Set 1.2: A 120 GLN :FLIP amide:sc= -0.28 F(o=-7.2!,f=0.18) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -0.315 X(o=-2.7,f=-2.4) USER MOD Set 2.2: A 59 TYR OH : rot -130:sc= -2.4! USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 58 MET CE :methyl 172:sc= 0 (180deg=-0.0207) USER MOD Set 4.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 26 CYS SG : rot 160:sc= -0.596 USER MOD Set 5.1: A 8 SER OG : rot -115:sc= -0.484! USER MOD Set 5.2: A 10 TYR OH : rot 150:sc= 0.183 USER MOD Single : A 1 SER N :NH3+ -179:sc= -0.144 (180deg=-0.149) USER MOD Single : A 1 SER OG : rot -26:sc= 0.406 USER MOD Single : A 2 LYS NZ :NH3+ -106:sc= -2.5 (180deg=-5.22!) USER MOD Single : A 3 THR OG1 : rot -32:sc= 0.324 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -1.83 F(o=-5!,f=-1.8) USER MOD Single : A 16 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.17) USER MOD Single : A 22 CYS SG : rot -101:sc= 0.679 USER MOD Single : A 24 CYS SG : rot 20:sc= 0.0725 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 49:sc= -2.01 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.477 F(o=-3.4!,f=-0.48) USER MOD Single : A 38 SER OG : rot 63:sc= 0.252 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= 0.638 F(o=-1.1,f=0.64) USER MOD Single : A 55 SER OG : rot -71:sc= 1.3 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.684! C(o=-2.2!,f=-0.68!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.48) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -5.18! C(o=-7.6!,f=-5.2!) USER MOD Single : A 81 SER OG : rot -96:sc= -0.218 USER MOD Single : A 82 CYS SG : rot -18:sc= -0.581 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.44) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.944 K(o=-0.94,f=-2.6) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.7!) USER MOD Single : A 106 GLN : amide:sc= -11.7! C(o=-12!,f=-22!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 31:sc= 1.02 USER MOD Single : A 111 THR OG1 : rot -83:sc= 0.658 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.644 X(o=-0.64,f=-1.1) USER MOD Single : A 127 HIS : no HD1:sc= -3.31 K(o=-3.3,f=-6.7!) USER MOD Single : A 128 SER OG : rot 12:sc= 0.738 USER MOD Single : A 129 CYS SG : rot -44:sc= -0.236 USER MOD Single : A 130 LYS NZ :NH3+ -176:sc= -0.0601 (180deg=-0.372) USER MOD Single : A 135 THR OG1 : rot 160:sc= -3.39! USER MOD Single : A 139 TYR OH : rot 180:sc= -0.0549 USER MOD Single : A 143 ASN : amide:sc= -0.0735 X(o=-0.074,f=-0.034) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 148 GLN : amide:sc= -2.33! C(o=-2.3!,f=-8.1!) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.442 USER MOD Single : A 153 LYS NZ :NH3+ -179:sc= -0.278 (180deg=-0.279) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 46:sc= -2.39 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0.0548 USER MOD Single : A 170 GLN : amide:sc= -6.83! C(o=-6.8!,f=-8.2!) USER MOD Single : A 171 SER OG : rot -166:sc= 0.437 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.497 -12.869 -16.383 1.00 4.50 N ATOM 2 CA SER A 1 -4.833 -13.058 -17.017 1.00 4.52 C ATOM 3 C SER A 1 -5.443 -14.376 -16.537 1.00 3.57 C ATOM 4 O SER A 1 -6.577 -14.693 -16.839 1.00 3.03 O ATOM 5 CB SER A 1 -4.675 -13.096 -18.538 1.00 4.81 C ATOM 6 OG SER A 1 -5.959 -13.208 -19.141 1.00 5.28 O ATOM 0 H1 SER A 1 -3.089 -11.965 -16.696 1.00 4.50 H new ATOM 0 H2 SER A 1 -3.602 -12.862 -15.348 1.00 4.50 H new ATOM 0 H3 SER A 1 -2.867 -13.648 -16.662 1.00 4.50 H new ATOM 0 HA SER A 1 -5.487 -12.231 -16.739 1.00 4.52 H new ATOM 0 HB2 SER A 1 -4.175 -12.192 -18.886 1.00 4.81 H new ATOM 0 HB3 SER A 1 -4.049 -13.939 -18.829 1.00 4.81 H new ATOM 0 HG SER A 1 -6.579 -13.636 -18.514 1.00 5.28 H new ATOM 14 N LYS A 2 -4.699 -15.150 -15.793 1.00 3.60 N ATOM 15 CA LYS A 2 -5.235 -16.447 -15.295 1.00 3.08 C ATOM 16 C LYS A 2 -6.194 -16.187 -14.134 1.00 2.11 C ATOM 17 O LYS A 2 -6.424 -17.041 -13.301 1.00 2.12 O ATOM 18 CB LYS A 2 -4.072 -17.329 -14.836 1.00 3.28 C ATOM 19 CG LYS A 2 -3.029 -17.425 -15.953 1.00 3.95 C ATOM 20 CD LYS A 2 -2.076 -18.591 -15.669 1.00 4.66 C ATOM 21 CE LYS A 2 -1.308 -18.332 -14.368 1.00 5.66 C ATOM 22 NZ LYS A 2 -2.176 -18.668 -13.204 1.00 5.96 N ATOM 0 H LYS A 2 -3.742 -14.939 -15.509 1.00 3.60 H new ATOM 0 HA LYS A 2 -5.776 -16.957 -16.092 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -3.619 -16.912 -13.936 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -4.436 -18.323 -14.578 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -3.523 -17.572 -16.914 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -2.468 -16.493 -16.022 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -2.639 -19.521 -15.590 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -1.377 -18.711 -16.497 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -0.399 -18.934 -14.343 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -1.000 -17.288 -14.316 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -2.502 -17.791 -12.750 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -2.998 -19.215 -13.530 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -1.634 -19.232 -12.519 1.00 5.96 H new ATOM 36 N THR A 3 -6.751 -15.007 -14.069 1.00 1.72 N ATOM 37 CA THR A 3 -7.692 -14.661 -12.967 1.00 1.18 C ATOM 38 C THR A 3 -8.377 -13.337 -13.309 1.00 1.02 C ATOM 39 O THR A 3 -7.934 -12.647 -14.206 1.00 1.63 O ATOM 40 CB THR A 3 -6.902 -14.476 -11.666 1.00 1.48 C ATOM 41 OG1 THR A 3 -6.124 -15.638 -11.418 1.00 2.13 O ATOM 42 CG2 THR A 3 -7.868 -14.249 -10.501 1.00 2.22 C ATOM 0 H THR A 3 -6.591 -14.259 -14.743 1.00 1.72 H new ATOM 0 HA THR A 3 -8.428 -15.455 -12.846 1.00 1.18 H new ATOM 0 HB THR A 3 -6.246 -13.610 -11.762 1.00 1.48 H new ATOM 0 HG1 THR A 3 -6.595 -16.426 -11.760 1.00 2.13 H new ATOM 0 HG21 THR A 3 -7.302 -14.118 -9.579 1.00 2.22 H new ATOM 0 HG22 THR A 3 -8.464 -13.356 -10.691 1.00 2.22 H new ATOM 0 HG23 THR A 3 -8.528 -15.111 -10.402 1.00 2.22 H new ATOM 50 N GLY A 4 -9.412 -12.931 -12.611 1.00 0.52 N ATOM 51 CA GLY A 4 -10.063 -11.610 -12.904 1.00 0.30 C ATOM 52 C GLY A 4 -9.931 -10.756 -11.643 1.00 0.41 C ATOM 53 O GLY A 4 -10.461 -11.089 -10.601 1.00 0.81 O ATOM 0 H GLY A 4 -9.836 -13.459 -11.848 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -9.581 -11.123 -13.752 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -11.111 -11.747 -13.169 1.00 0.30 H new ATOM 57 N GLY A 5 -9.229 -9.658 -11.724 1.00 0.01 N ATOM 58 CA GLY A 5 -9.069 -8.794 -10.522 1.00 0.01 C ATOM 59 C GLY A 5 -10.366 -8.027 -10.267 1.00 0.01 C ATOM 60 O GLY A 5 -11.066 -7.648 -11.185 1.00 0.01 O ATOM 0 H GLY A 5 -8.762 -9.324 -12.567 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -8.818 -9.404 -9.654 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.245 -8.096 -10.670 1.00 0.01 H new ATOM 64 N LYS A 6 -10.692 -7.794 -9.022 1.00 0.00 N ATOM 65 CA LYS A 6 -11.946 -7.051 -8.698 1.00 0.01 C ATOM 66 C LYS A 6 -11.787 -6.334 -7.359 1.00 0.01 C ATOM 67 O LYS A 6 -11.274 -6.889 -6.399 1.00 0.00 O ATOM 68 CB LYS A 6 -13.130 -8.021 -8.623 1.00 0.02 C ATOM 69 CG LYS A 6 -14.443 -7.232 -8.685 1.00 0.02 C ATOM 70 CD LYS A 6 -15.603 -8.120 -8.221 1.00 0.02 C ATOM 71 CE LYS A 6 -15.674 -9.375 -9.097 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.999 -10.035 -8.913 1.00 0.02 N ATOM 0 H LYS A 6 -10.143 -8.087 -8.214 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.136 -6.319 -9.483 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.083 -8.734 -9.446 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.083 -8.598 -7.699 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.376 -6.346 -8.054 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.622 -6.886 -9.703 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -15.464 -8.401 -7.177 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -16.542 -7.569 -8.281 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.530 -9.109 -10.144 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -14.872 -10.064 -8.830 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -17.048 -10.887 -9.507 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -17.118 -10.302 -7.915 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -17.756 -9.377 -9.188 1.00 0.02 H new ATOM 86 N ILE A 7 -12.257 -5.107 -7.294 1.00 0.02 N ATOM 87 CA ILE A 7 -12.183 -4.313 -6.028 1.00 0.00 C ATOM 88 C ILE A 7 -13.570 -3.734 -5.721 1.00 0.02 C ATOM 89 O ILE A 7 -14.282 -3.302 -6.608 1.00 0.01 O ATOM 90 CB ILE A 7 -11.140 -3.201 -6.178 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.229 -2.244 -4.988 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.393 -2.427 -7.467 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.017 -1.310 -4.990 1.00 0.02 C ATOM 0 H ILE A 7 -12.694 -4.619 -8.076 1.00 0.02 H new ATOM 0 HA ILE A 7 -11.879 -4.951 -5.199 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.147 -3.648 -6.211 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.149 -1.663 -5.044 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.265 -2.808 -4.056 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.649 -1.637 -7.569 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.322 -3.104 -8.318 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.389 -1.985 -7.437 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.081 -0.629 -4.142 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.103 -1.899 -4.913 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.002 -0.736 -5.916 1.00 0.02 H new ATOM 105 N SER A 8 -13.951 -3.717 -4.462 1.00 0.02 N ATOM 106 CA SER A 8 -15.289 -3.160 -4.069 1.00 0.02 C ATOM 107 C SER A 8 -15.098 -2.011 -3.075 1.00 0.01 C ATOM 108 O SER A 8 -14.404 -2.138 -2.089 1.00 0.02 O ATOM 109 CB SER A 8 -16.143 -4.254 -3.419 1.00 0.30 C ATOM 110 OG SER A 8 -17.023 -3.665 -2.469 1.00 0.39 O ATOM 0 H SER A 8 -13.389 -4.067 -3.686 1.00 0.02 H new ATOM 0 HA SER A 8 -15.794 -2.792 -4.962 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.715 -4.785 -4.180 1.00 0.30 H new ATOM 0 HB3 SER A 8 -15.503 -4.989 -2.931 1.00 0.30 H new ATOM 0 HG SER A 8 -16.790 -3.977 -1.570 1.00 0.39 H new ATOM 116 N PHE A 9 -15.732 -0.891 -3.334 1.00 0.02 N ATOM 117 CA PHE A 9 -15.628 0.293 -2.421 1.00 0.01 C ATOM 118 C PHE A 9 -16.972 0.496 -1.705 1.00 0.01 C ATOM 119 O PHE A 9 -18.019 0.342 -2.300 1.00 0.02 O ATOM 120 CB PHE A 9 -15.318 1.546 -3.248 1.00 0.02 C ATOM 121 CG PHE A 9 -14.236 1.251 -4.259 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.557 0.588 -5.449 1.00 0.01 C ATOM 123 CD2 PHE A 9 -12.917 1.652 -4.016 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.560 0.323 -6.394 1.00 0.02 C ATOM 125 CE2 PHE A 9 -11.919 1.388 -4.962 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.241 0.724 -6.151 1.00 0.02 C ATOM 0 H PHE A 9 -16.325 -0.745 -4.151 1.00 0.02 H new ATOM 0 HA PHE A 9 -14.836 0.123 -1.692 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.219 1.886 -3.758 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.000 2.355 -2.590 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.575 0.281 -5.638 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.669 2.165 -3.099 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -13.808 -0.191 -7.311 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -10.901 1.697 -4.774 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.472 0.521 -6.881 1.00 0.02 H new ATOM 136 N TYR A 10 -16.955 0.834 -0.432 1.00 0.02 N ATOM 137 CA TYR A 10 -18.237 1.043 0.326 1.00 0.01 C ATOM 138 C TYR A 10 -18.261 2.460 0.909 1.00 0.02 C ATOM 139 O TYR A 10 -17.259 2.968 1.387 1.00 0.01 O ATOM 140 CB TYR A 10 -18.323 0.036 1.478 1.00 0.02 C ATOM 141 CG TYR A 10 -18.017 -1.361 0.980 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.707 -1.713 0.629 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.044 -2.311 0.886 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.426 -3.012 0.186 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.760 -3.607 0.442 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.452 -3.958 0.093 1.00 0.00 C ATOM 147 OH TYR A 10 -17.177 -5.239 -0.341 1.00 0.02 O ATOM 0 H TYR A 10 -16.106 0.974 0.116 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.079 0.904 -0.352 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -17.620 0.311 2.264 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.320 0.062 1.919 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -15.914 -0.983 0.700 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.054 -2.042 1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.416 -3.283 -0.084 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.552 -4.337 0.369 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.802 -5.867 0.077 1.00 0.02 H new ATOM 157 N GLU A 11 -19.394 3.122 0.841 1.00 0.00 N ATOM 158 CA GLU A 11 -19.478 4.521 1.353 1.00 0.02 C ATOM 159 C GLU A 11 -19.350 4.567 2.876 1.00 0.03 C ATOM 160 O GLU A 11 -18.906 5.559 3.419 1.00 0.03 O ATOM 161 CB GLU A 11 -20.829 5.132 0.953 1.00 0.00 C ATOM 162 CG GLU A 11 -20.813 5.516 -0.526 1.00 0.00 C ATOM 163 CD GLU A 11 -22.192 6.043 -0.932 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.135 5.812 -0.193 1.00 0.02 O ATOM 165 OE2 GLU A 11 -22.282 6.668 -1.976 1.00 0.01 O ATOM 0 H GLU A 11 -20.261 2.751 0.453 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.655 5.088 0.917 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.631 4.418 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.034 6.012 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.054 6.277 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.549 4.651 -1.134 1.00 0.00 H new ATOM 172 N ASP A 12 -19.733 3.524 3.581 1.00 0.02 N ATOM 173 CA ASP A 12 -19.626 3.546 5.076 1.00 0.01 C ATOM 174 C ASP A 12 -18.613 2.504 5.553 1.00 0.02 C ATOM 175 O ASP A 12 -18.127 1.683 4.799 1.00 0.02 O ATOM 176 CB ASP A 12 -20.991 3.237 5.701 1.00 0.01 C ATOM 177 CG ASP A 12 -22.082 4.013 4.962 1.00 0.01 C ATOM 178 OD1 ASP A 12 -21.736 4.819 4.113 1.00 0.02 O ATOM 179 OD2 ASP A 12 -23.245 3.788 5.255 1.00 0.03 O ATOM 0 H ASP A 12 -20.113 2.664 3.186 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.295 4.538 5.383 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -21.193 2.167 5.648 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -20.989 3.509 6.756 1.00 0.01 H new ATOM 184 N ARG A 13 -18.293 2.560 6.812 1.00 0.02 N ATOM 185 CA ARG A 13 -17.306 1.616 7.406 1.00 0.02 C ATOM 186 C ARG A 13 -17.942 0.235 7.589 1.00 0.00 C ATOM 187 O ARG A 13 -19.151 0.086 7.603 1.00 0.02 O ATOM 188 CB ARG A 13 -16.888 2.162 8.775 1.00 0.00 C ATOM 189 CG ARG A 13 -16.301 3.577 8.627 1.00 0.01 C ATOM 190 CD ARG A 13 -16.392 4.322 9.971 1.00 0.02 C ATOM 191 NE ARG A 13 -16.314 3.343 11.093 1.00 0.03 N ATOM 192 CZ ARG A 13 -16.094 3.758 12.310 1.00 0.02 C ATOM 193 NH1 ARG A 13 -15.939 5.032 12.547 1.00 0.02 N ATOM 194 NH2 ARG A 13 -16.031 2.900 13.292 1.00 0.02 N ATOM 0 H ARG A 13 -18.682 3.235 7.470 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.443 1.521 6.747 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -17.749 2.186 9.443 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.150 1.500 9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.262 3.518 8.303 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.843 4.127 7.858 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -15.583 5.048 10.051 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -17.327 4.880 10.026 1.00 0.02 H new ATOM 0 HE ARG A 13 -16.433 2.347 10.909 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -15.990 5.703 11.781 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -15.767 5.356 13.499 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -16.154 1.904 13.108 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -15.859 3.225 14.243 1.00 0.02 H new ATOM 208 N ASN A 14 -17.124 -0.774 7.728 1.00 0.02 N ATOM 209 CA ASN A 14 -17.639 -2.159 7.930 1.00 0.02 C ATOM 210 C ASN A 14 -18.446 -2.617 6.715 1.00 0.02 C ATOM 211 O ASN A 14 -19.427 -3.324 6.828 1.00 0.02 O ATOM 212 CB ASN A 14 -18.501 -2.188 9.194 1.00 0.26 C ATOM 213 CG ASN A 14 -17.851 -1.322 10.275 1.00 0.12 C ATOM 214 OD1 ASN A 14 -18.103 -0.043 10.305 1.00 0.74 O flip ATOM 215 ND2 ASN A 14 -17.105 -1.815 11.099 1.00 0.46 N flip ATOM 0 H ASN A 14 -16.107 -0.696 7.710 1.00 0.02 H new ATOM 0 HA ASN A 14 -16.800 -2.845 8.047 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -19.503 -1.820 8.972 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -18.609 -3.213 9.550 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -16.908 -2.816 11.075 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -16.676 -1.228 11.814 1.00 0.46 H new ATOM 222 N PHE A 15 -18.013 -2.187 5.558 1.00 0.02 N ATOM 223 CA PHE A 15 -18.682 -2.543 4.269 1.00 0.02 C ATOM 224 C PHE A 15 -20.186 -2.298 4.346 1.00 0.00 C ATOM 225 O PHE A 15 -20.984 -3.071 3.855 1.00 0.02 O ATOM 226 CB PHE A 15 -18.391 -4.005 3.877 1.00 0.02 C ATOM 227 CG PHE A 15 -18.603 -4.936 5.046 1.00 0.02 C ATOM 228 CD1 PHE A 15 -19.861 -5.509 5.267 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.539 -5.227 5.909 1.00 0.02 C ATOM 230 CE1 PHE A 15 -20.057 -6.374 6.351 1.00 0.02 C ATOM 231 CE2 PHE A 15 -17.735 -6.092 6.995 1.00 0.02 C ATOM 232 CZ PHE A 15 -18.995 -6.665 7.215 1.00 0.02 C ATOM 0 H PHE A 15 -17.197 -1.584 5.450 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.271 -1.896 3.494 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.040 -4.299 3.052 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -17.364 -4.091 3.521 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -20.681 -5.284 4.601 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -16.568 -4.785 5.738 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -21.028 -6.816 6.520 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.915 -6.317 7.662 1.00 0.02 H new ATOM 0 HZ PHE A 15 -19.147 -7.331 8.051 1.00 0.02 H new ATOM 242 N GLN A 16 -20.568 -1.194 4.935 1.00 0.02 N ATOM 243 CA GLN A 16 -22.015 -0.834 5.030 1.00 0.02 C ATOM 244 C GLN A 16 -22.267 0.349 4.091 1.00 0.02 C ATOM 245 O GLN A 16 -21.340 0.983 3.624 1.00 0.02 O ATOM 246 CB GLN A 16 -22.342 -0.421 6.468 1.00 0.02 C ATOM 247 CG GLN A 16 -22.463 -1.670 7.343 1.00 0.00 C ATOM 248 CD GLN A 16 -23.771 -2.392 7.019 1.00 0.00 C ATOM 249 OE1 GLN A 16 -24.832 -1.963 7.429 1.00 0.02 O ATOM 250 NE2 GLN A 16 -23.742 -3.477 6.295 1.00 0.02 N ATOM 0 H GLN A 16 -19.932 -0.519 5.359 1.00 0.02 H new ATOM 0 HA GLN A 16 -22.640 -1.683 4.752 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -21.561 0.233 6.856 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.273 0.145 6.492 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -21.616 -2.333 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.439 -1.393 8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.852 -3.837 5.951 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -24.610 -3.965 6.073 1.00 0.02 H new ATOM 259 N GLY A 17 -23.502 0.658 3.796 1.00 0.03 N ATOM 260 CA GLY A 17 -23.782 1.808 2.882 1.00 0.03 C ATOM 261 C GLY A 17 -23.807 1.347 1.418 1.00 0.02 C ATOM 262 O GLY A 17 -23.829 0.169 1.124 1.00 0.02 O ATOM 0 H GLY A 17 -24.326 0.168 4.145 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -24.739 2.260 3.142 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.020 2.576 3.013 1.00 0.03 H new ATOM 266 N ARG A 18 -23.793 2.278 0.501 1.00 0.00 N ATOM 267 CA ARG A 18 -23.805 1.920 -0.950 1.00 0.02 C ATOM 268 C ARG A 18 -22.469 1.273 -1.322 1.00 0.02 C ATOM 269 O ARG A 18 -21.428 1.631 -0.805 1.00 0.02 O ATOM 270 CB ARG A 18 -24.007 3.192 -1.773 1.00 0.79 C ATOM 271 CG ARG A 18 -24.404 2.821 -3.203 1.00 1.49 C ATOM 272 CD ARG A 18 -24.660 4.096 -4.007 1.00 1.42 C ATOM 273 NE ARG A 18 -24.839 3.750 -5.445 1.00 2.07 N ATOM 274 CZ ARG A 18 -25.356 4.621 -6.267 1.00 2.35 C ATOM 275 NH1 ARG A 18 -25.722 5.794 -5.830 1.00 2.53 N ATOM 276 NH2 ARG A 18 -25.508 4.316 -7.528 1.00 2.76 N ATOM 0 H ARG A 18 -23.774 3.279 0.696 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.614 1.219 -1.155 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -24.781 3.812 -1.319 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.090 3.782 -1.781 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.613 2.236 -3.671 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.299 2.198 -3.194 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -25.548 4.603 -3.631 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -23.825 4.786 -3.889 1.00 1.42 H new ATOM 0 HE ARG A 18 -24.557 2.831 -5.787 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -25.604 6.031 -4.845 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -26.126 6.475 -6.473 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -25.223 3.398 -7.869 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -25.912 4.996 -8.172 1.00 2.76 H new ATOM 290 N ARG A 19 -22.501 0.303 -2.206 1.00 0.02 N ATOM 291 CA ARG A 19 -21.249 -0.408 -2.617 1.00 0.02 C ATOM 292 C ARG A 19 -21.027 -0.249 -4.125 1.00 0.02 C ATOM 293 O ARG A 19 -21.959 -0.184 -4.902 1.00 0.02 O ATOM 294 CB ARG A 19 -21.418 -1.899 -2.293 1.00 0.85 C ATOM 295 CG ARG A 19 -20.114 -2.660 -2.556 1.00 1.31 C ATOM 296 CD ARG A 19 -20.398 -4.163 -2.546 1.00 1.34 C ATOM 297 NE ARG A 19 -19.133 -4.914 -2.779 1.00 1.50 N ATOM 298 CZ ARG A 19 -19.075 -6.190 -2.514 1.00 1.63 C ATOM 299 NH1 ARG A 19 -20.125 -6.808 -2.045 1.00 1.72 N ATOM 300 NH2 ARG A 19 -17.968 -6.850 -2.722 1.00 1.89 N ATOM 0 H ARG A 19 -23.350 -0.029 -2.664 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.394 0.011 -2.085 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -21.711 -2.019 -1.250 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.220 -2.320 -2.900 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.693 -2.364 -3.517 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.375 -2.412 -1.794 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -20.834 -4.454 -1.591 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -21.127 -4.410 -3.318 1.00 1.34 H new ATOM 0 HE ARG A 19 -18.313 -4.431 -3.145 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -20.991 -6.293 -1.886 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -20.079 -7.806 -1.838 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -17.149 -6.368 -3.092 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -17.922 -7.848 -2.515 1.00 1.89 H new ATOM 314 N TYR A 20 -19.785 -0.216 -4.536 1.00 0.02 N ATOM 315 CA TYR A 20 -19.450 -0.095 -5.990 1.00 0.02 C ATOM 316 C TYR A 20 -18.390 -1.145 -6.324 1.00 0.02 C ATOM 317 O TYR A 20 -17.375 -1.235 -5.665 1.00 0.02 O ATOM 318 CB TYR A 20 -18.903 1.305 -6.283 1.00 0.02 C ATOM 319 CG TYR A 20 -18.511 1.398 -7.742 1.00 0.01 C ATOM 320 CD1 TYR A 20 -19.493 1.298 -8.735 1.00 0.02 C ATOM 321 CD2 TYR A 20 -17.169 1.581 -8.103 1.00 0.01 C ATOM 322 CE1 TYR A 20 -19.135 1.382 -10.087 1.00 0.02 C ATOM 323 CE2 TYR A 20 -16.812 1.666 -9.454 1.00 0.02 C ATOM 324 CZ TYR A 20 -17.795 1.566 -10.446 1.00 0.02 C ATOM 325 OH TYR A 20 -17.442 1.649 -11.778 1.00 0.01 O ATOM 0 H TYR A 20 -18.976 -0.268 -3.917 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.342 -0.253 -6.596 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.656 2.058 -6.049 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.040 1.510 -5.650 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -20.527 1.156 -8.459 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -16.410 1.656 -7.338 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -19.893 1.305 -10.852 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -15.778 1.809 -9.731 1.00 0.02 H new ATOM 0 HH TYR A 20 -16.473 1.778 -11.852 1.00 0.01 H new ATOM 335 N ASP A 21 -18.624 -1.952 -7.331 1.00 0.01 N ATOM 336 CA ASP A 21 -17.645 -3.023 -7.711 1.00 0.02 C ATOM 337 C ASP A 21 -17.025 -2.702 -9.069 1.00 0.00 C ATOM 338 O ASP A 21 -17.701 -2.289 -9.992 1.00 0.01 O ATOM 339 CB ASP A 21 -18.387 -4.358 -7.798 1.00 0.12 C ATOM 340 CG ASP A 21 -19.645 -4.190 -8.649 1.00 0.41 C ATOM 341 OD1 ASP A 21 -19.524 -4.226 -9.863 1.00 1.12 O ATOM 342 OD2 ASP A 21 -20.708 -4.026 -8.074 1.00 0.56 O ATOM 0 H ASP A 21 -19.461 -1.915 -7.913 1.00 0.01 H new ATOM 0 HA ASP A 21 -16.855 -3.079 -6.963 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -17.739 -5.118 -8.235 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -18.655 -4.703 -6.799 1.00 0.12 H new ATOM 347 N CYS A 22 -15.730 -2.883 -9.192 1.00 0.01 N ATOM 348 CA CYS A 22 -15.031 -2.586 -10.483 1.00 0.00 C ATOM 349 C CYS A 22 -14.139 -3.768 -10.870 1.00 0.02 C ATOM 350 O CYS A 22 -13.480 -4.366 -10.040 1.00 0.01 O ATOM 351 CB CYS A 22 -14.185 -1.324 -10.312 1.00 0.00 C ATOM 352 SG CYS A 22 -13.698 -0.698 -11.937 1.00 0.02 S ATOM 0 H CYS A 22 -15.124 -3.226 -8.447 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.765 -2.427 -11.273 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.751 -0.564 -9.773 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.300 -1.545 -9.716 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.469 -1.043 -12.185 1.00 0.02 H new ATOM 358 N ASP A 23 -14.124 -4.109 -12.137 1.00 0.01 N ATOM 359 CA ASP A 23 -13.291 -5.255 -12.622 1.00 0.02 C ATOM 360 C ASP A 23 -12.234 -4.745 -13.605 1.00 0.00 C ATOM 361 O ASP A 23 -11.562 -5.516 -14.262 1.00 0.02 O ATOM 362 CB ASP A 23 -14.193 -6.270 -13.327 1.00 0.16 C ATOM 363 CG ASP A 23 -13.349 -7.437 -13.839 1.00 0.17 C ATOM 364 OD1 ASP A 23 -12.716 -8.088 -13.024 1.00 0.20 O ATOM 365 OD2 ASP A 23 -13.349 -7.662 -15.039 1.00 0.17 O ATOM 0 H ASP A 23 -14.660 -3.636 -12.864 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.796 -5.728 -11.774 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -14.955 -6.634 -12.638 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -14.714 -5.793 -14.157 1.00 0.16 H new ATOM 370 N CYS A 24 -12.071 -3.454 -13.701 1.00 0.01 N ATOM 371 CA CYS A 24 -11.049 -2.893 -14.629 1.00 0.01 C ATOM 372 C CYS A 24 -10.698 -1.478 -14.162 1.00 0.01 C ATOM 373 O CYS A 24 -11.302 -0.962 -13.244 1.00 0.01 O ATOM 374 CB CYS A 24 -11.613 -2.845 -16.052 1.00 0.62 C ATOM 375 SG CYS A 24 -11.594 -4.507 -16.767 1.00 1.23 S ATOM 0 H CYS A 24 -12.604 -2.761 -13.175 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.157 -3.519 -14.628 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -12.631 -2.456 -16.038 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -11.021 -2.167 -16.666 1.00 0.62 H new ATOM 0 HG CYS A 24 -11.509 -5.388 -15.815 1.00 1.23 H new ATOM 381 N ASP A 25 -9.732 -0.838 -14.768 1.00 0.02 N ATOM 382 CA ASP A 25 -9.367 0.539 -14.327 1.00 0.01 C ATOM 383 C ASP A 25 -10.560 1.481 -14.498 1.00 0.02 C ATOM 384 O ASP A 25 -11.323 1.368 -15.439 1.00 0.00 O ATOM 385 CB ASP A 25 -8.208 1.049 -15.185 1.00 0.01 C ATOM 386 CG ASP A 25 -8.554 0.868 -16.664 1.00 0.01 C ATOM 387 OD1 ASP A 25 -8.365 -0.227 -17.166 1.00 0.01 O ATOM 388 OD2 ASP A 25 -9.005 1.828 -17.268 1.00 0.01 O ATOM 0 H ASP A 25 -9.183 -1.207 -15.545 1.00 0.02 H new ATOM 0 HA ASP A 25 -9.077 0.511 -13.277 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -8.017 2.101 -14.971 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.295 0.504 -14.944 1.00 0.01 H new ATOM 393 N CYS A 26 -10.714 2.425 -13.602 1.00 0.01 N ATOM 394 CA CYS A 26 -11.842 3.408 -13.704 1.00 0.01 C ATOM 395 C CYS A 26 -11.279 4.817 -13.510 1.00 0.01 C ATOM 396 O CYS A 26 -10.715 5.135 -12.482 1.00 0.01 O ATOM 397 CB CYS A 26 -12.892 3.114 -12.630 1.00 0.01 C ATOM 398 SG CYS A 26 -14.398 4.052 -12.985 1.00 0.02 S ATOM 0 H CYS A 26 -10.102 2.559 -12.797 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.316 3.328 -14.682 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.113 2.047 -12.605 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.507 3.383 -11.646 1.00 0.01 H new ATOM 0 HG CYS A 26 -15.403 3.510 -12.364 1.00 0.02 H new ATOM 404 N ALA A 27 -11.392 5.657 -14.506 1.00 0.01 N ATOM 405 CA ALA A 27 -10.826 7.029 -14.388 1.00 0.01 C ATOM 406 C ALA A 27 -11.742 7.930 -13.560 1.00 0.01 C ATOM 407 O ALA A 27 -11.300 8.887 -12.957 1.00 0.02 O ATOM 408 CB ALA A 27 -10.649 7.627 -15.786 1.00 0.24 C ATOM 0 H ALA A 27 -11.851 5.451 -15.393 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.861 6.964 -13.885 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -10.235 8.632 -15.702 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.970 7.002 -16.366 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.616 7.674 -16.287 1.00 0.24 H new ATOM 414 N ASP A 28 -13.016 7.641 -13.522 1.00 0.01 N ATOM 415 CA ASP A 28 -13.952 8.490 -12.728 1.00 0.02 C ATOM 416 C ASP A 28 -15.152 7.642 -12.301 1.00 0.01 C ATOM 417 O ASP A 28 -16.056 7.390 -13.072 1.00 0.02 O ATOM 418 CB ASP A 28 -14.431 9.668 -13.581 1.00 0.67 C ATOM 419 CG ASP A 28 -14.962 9.150 -14.920 1.00 0.90 C ATOM 420 OD1 ASP A 28 -14.878 7.954 -15.145 1.00 0.87 O ATOM 421 OD2 ASP A 28 -15.446 9.958 -15.696 1.00 1.14 O ATOM 0 H ASP A 28 -13.449 6.854 -14.006 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.440 8.875 -11.846 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -15.213 10.216 -13.056 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.611 10.366 -13.749 1.00 0.67 H new ATOM 426 N PHE A 29 -15.158 7.204 -11.069 1.00 0.02 N ATOM 427 CA PHE A 29 -16.287 6.368 -10.546 1.00 0.02 C ATOM 428 C PHE A 29 -17.182 7.211 -9.631 1.00 0.00 C ATOM 429 O PHE A 29 -18.041 6.712 -8.928 1.00 0.02 O ATOM 430 CB PHE A 29 -15.723 5.155 -9.794 1.00 2.87 C ATOM 431 CG PHE A 29 -15.152 5.580 -8.460 1.00 3.99 C ATOM 432 CD1 PHE A 29 -13.941 6.280 -8.407 1.00 4.68 C ATOM 433 CD2 PHE A 29 -15.834 5.270 -7.277 1.00 4.52 C ATOM 434 CE1 PHE A 29 -13.414 6.668 -7.171 1.00 5.85 C ATOM 435 CE2 PHE A 29 -15.305 5.658 -6.043 1.00 5.75 C ATOM 436 CZ PHE A 29 -14.098 6.356 -5.990 1.00 6.37 C ATOM 0 H PHE A 29 -14.419 7.391 -10.391 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.892 6.010 -11.379 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -16.510 4.416 -9.641 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -14.948 4.676 -10.393 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -13.415 6.520 -9.319 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -16.769 4.731 -7.318 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -12.480 7.208 -7.128 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -15.830 5.418 -5.131 1.00 5.75 H new ATOM 0 HZ PHE A 29 -13.691 6.656 -5.036 1.00 6.37 H new ATOM 446 N ARG A 30 -16.951 8.496 -9.619 1.00 0.01 N ATOM 447 CA ARG A 30 -17.743 9.406 -8.745 1.00 0.00 C ATOM 448 C ARG A 30 -19.236 9.317 -9.069 1.00 0.01 C ATOM 449 O ARG A 30 -20.069 9.619 -8.238 1.00 0.02 O ATOM 450 CB ARG A 30 -17.276 10.847 -8.956 1.00 0.32 C ATOM 451 CG ARG A 30 -15.798 10.966 -8.579 1.00 0.86 C ATOM 452 CD ARG A 30 -15.262 12.326 -9.031 1.00 1.62 C ATOM 453 NE ARG A 30 -15.154 12.350 -10.516 1.00 2.25 N ATOM 454 CZ ARG A 30 -14.999 13.486 -11.142 1.00 2.70 C ATOM 455 NH1 ARG A 30 -14.941 14.601 -10.466 1.00 3.11 N ATOM 456 NH2 ARG A 30 -14.904 13.504 -12.443 1.00 3.02 N ATOM 0 H ARG A 30 -16.239 8.958 -10.184 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.590 9.104 -7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.421 11.139 -9.996 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.873 11.527 -8.348 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.677 10.856 -7.501 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.227 10.165 -9.048 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -15.926 13.121 -8.691 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -14.286 12.512 -8.582 1.00 1.62 H new ATOM 0 HE ARG A 30 -15.201 11.479 -11.045 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -15.017 14.585 -9.449 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -14.820 15.488 -10.955 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -14.951 12.632 -12.970 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -14.783 14.390 -12.933 1.00 3.02 H new ATOM 470 N SER A 31 -19.593 8.929 -10.263 1.00 0.02 N ATOM 471 CA SER A 31 -21.040 8.854 -10.617 1.00 0.02 C ATOM 472 C SER A 31 -21.686 7.642 -9.944 1.00 0.01 C ATOM 473 O SER A 31 -22.894 7.543 -9.851 1.00 0.02 O ATOM 474 CB SER A 31 -21.181 8.727 -12.133 1.00 0.37 C ATOM 475 OG SER A 31 -22.522 8.383 -12.454 1.00 0.88 O ATOM 0 H SER A 31 -18.948 8.661 -11.007 1.00 0.02 H new ATOM 0 HA SER A 31 -21.540 9.759 -10.272 1.00 0.02 H new ATOM 0 HB2 SER A 31 -20.909 9.666 -12.615 1.00 0.37 H new ATOM 0 HB3 SER A 31 -20.498 7.966 -12.511 1.00 0.37 H new ATOM 0 HG SER A 31 -22.615 8.302 -13.426 1.00 0.88 H new ATOM 481 N TYR A 32 -20.890 6.712 -9.485 1.00 0.01 N ATOM 482 CA TYR A 32 -21.443 5.490 -8.829 1.00 0.01 C ATOM 483 C TYR A 32 -21.269 5.604 -7.316 1.00 0.02 C ATOM 484 O TYR A 32 -21.956 4.955 -6.551 1.00 0.02 O ATOM 485 CB TYR A 32 -20.670 4.269 -9.330 1.00 0.02 C ATOM 486 CG TYR A 32 -20.661 4.262 -10.842 1.00 0.02 C ATOM 487 CD1 TYR A 32 -19.837 5.152 -11.541 1.00 0.01 C ATOM 488 CD2 TYR A 32 -21.476 3.364 -11.544 1.00 0.01 C ATOM 489 CE1 TYR A 32 -19.828 5.145 -12.941 1.00 0.02 C ATOM 490 CE2 TYR A 32 -21.466 3.357 -12.944 1.00 0.00 C ATOM 491 CZ TYR A 32 -20.642 4.248 -13.643 1.00 0.02 C ATOM 492 OH TYR A 32 -20.632 4.241 -15.022 1.00 0.02 O ATOM 0 H TYR A 32 -19.872 6.747 -9.537 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.502 5.389 -9.068 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.649 4.291 -8.950 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -21.130 3.355 -8.954 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -19.208 5.844 -11.000 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -22.112 2.677 -11.005 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -19.193 5.832 -13.480 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -22.094 2.664 -13.485 1.00 0.00 H new ATOM 0 HH TYR A 32 -21.253 3.558 -15.350 1.00 0.02 H new ATOM 502 N LEU A 33 -20.347 6.417 -6.875 1.00 0.02 N ATOM 503 CA LEU A 33 -20.113 6.566 -5.406 1.00 0.02 C ATOM 504 C LEU A 33 -19.611 7.994 -5.121 1.00 0.02 C ATOM 505 O LEU A 33 -18.681 8.481 -5.733 1.00 0.02 O ATOM 506 CB LEU A 33 -19.037 5.541 -4.983 1.00 1.66 C ATOM 507 CG LEU A 33 -19.367 4.944 -3.601 1.00 2.38 C ATOM 508 CD1 LEU A 33 -20.652 4.083 -3.671 1.00 3.32 C ATOM 509 CD2 LEU A 33 -18.186 4.082 -3.136 1.00 2.80 C ATOM 0 H LEU A 33 -19.744 6.986 -7.469 1.00 0.02 H new ATOM 0 HA LEU A 33 -21.034 6.392 -4.849 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -18.976 4.744 -5.724 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.060 6.023 -4.952 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.538 5.754 -2.892 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -20.868 3.671 -2.685 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -21.488 4.703 -3.996 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -20.506 3.269 -4.381 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -18.410 3.655 -2.158 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -18.017 3.279 -3.853 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -17.290 4.699 -3.066 1.00 2.80 H new ATOM 521 N SER A 34 -20.252 8.663 -4.199 1.00 0.02 N ATOM 522 CA SER A 34 -19.861 10.065 -3.861 1.00 0.02 C ATOM 523 C SER A 34 -18.723 10.081 -2.832 1.00 0.00 C ATOM 524 O SER A 34 -18.140 11.110 -2.557 1.00 0.01 O ATOM 525 CB SER A 34 -21.077 10.792 -3.286 1.00 0.02 C ATOM 526 OG SER A 34 -22.066 10.926 -4.297 1.00 0.02 O ATOM 0 H SER A 34 -21.037 8.295 -3.661 1.00 0.02 H new ATOM 0 HA SER A 34 -19.513 10.564 -4.766 1.00 0.02 H new ATOM 0 HB2 SER A 34 -21.480 10.237 -2.439 1.00 0.02 H new ATOM 0 HB3 SER A 34 -20.785 11.774 -2.914 1.00 0.02 H new ATOM 0 HG SER A 34 -22.847 11.390 -3.931 1.00 0.02 H new ATOM 532 N ARG A 35 -18.401 8.952 -2.262 1.00 0.02 N ATOM 533 CA ARG A 35 -17.305 8.887 -1.252 1.00 0.01 C ATOM 534 C ARG A 35 -17.027 7.411 -0.965 1.00 0.02 C ATOM 535 O ARG A 35 -17.831 6.557 -1.278 1.00 0.02 O ATOM 536 CB ARG A 35 -17.746 9.587 0.035 1.00 0.02 C ATOM 537 CG ARG A 35 -19.061 8.975 0.524 1.00 0.02 C ATOM 538 CD ARG A 35 -19.565 9.753 1.740 1.00 0.02 C ATOM 539 NE ARG A 35 -20.738 9.047 2.329 1.00 0.02 N ATOM 540 CZ ARG A 35 -21.151 9.356 3.528 1.00 0.02 C ATOM 541 NH1 ARG A 35 -20.536 10.283 4.210 1.00 0.00 N ATOM 542 NH2 ARG A 35 -22.178 8.737 4.046 1.00 0.02 N ATOM 0 H ARG A 35 -18.856 8.060 -2.455 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.409 9.382 -1.627 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -16.977 9.482 0.800 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -17.874 10.654 -0.144 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -19.805 9.002 -0.272 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -18.912 7.927 0.786 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -18.771 9.844 2.482 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -19.845 10.765 1.447 1.00 0.02 H new ATOM 0 HE ARG A 35 -21.218 8.322 1.795 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -19.733 10.765 3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.858 10.525 5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -22.658 8.011 3.513 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -22.500 8.979 4.983 1.00 0.02 H new ATOM 556 N CYS A 36 -15.903 7.088 -0.379 1.00 0.02 N ATOM 557 CA CYS A 36 -15.590 5.656 -0.079 1.00 0.02 C ATOM 558 C CYS A 36 -14.880 5.580 1.277 1.00 0.02 C ATOM 559 O CYS A 36 -13.795 6.107 1.427 1.00 0.02 O ATOM 560 CB CYS A 36 -14.674 5.110 -1.181 1.00 0.02 C ATOM 561 SG CYS A 36 -13.793 3.645 -0.588 1.00 0.02 S ATOM 0 H CYS A 36 -15.186 7.755 -0.094 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.504 5.064 -0.042 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -15.263 4.858 -2.063 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -13.960 5.876 -1.484 1.00 0.02 H new ATOM 0 HG CYS A 36 -14.637 2.824 -0.037 1.00 0.02 H new ATOM 567 N ASN A 37 -15.476 4.962 2.280 1.00 0.02 N ATOM 568 CA ASN A 37 -14.815 4.905 3.628 1.00 0.01 C ATOM 569 C ASN A 37 -14.316 3.490 3.948 1.00 0.02 C ATOM 570 O ASN A 37 -13.697 3.258 4.966 1.00 0.02 O ATOM 571 CB ASN A 37 -15.805 5.340 4.710 1.00 0.02 C ATOM 572 CG ASN A 37 -16.182 6.809 4.501 1.00 0.01 C ATOM 573 OD1 ASN A 37 -16.571 7.208 3.320 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 -16.121 7.601 5.420 1.00 0.02 N flip ATOM 0 H ASN A 37 -16.383 4.500 2.222 1.00 0.02 H new ATOM 0 HA ASN A 37 -13.959 5.579 3.607 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.698 4.716 4.672 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -15.363 5.204 5.697 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -15.817 7.289 6.342 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -16.374 8.578 5.269 1.00 0.02 H new ATOM 581 N SER A 38 -14.550 2.549 3.069 1.00 0.02 N ATOM 582 CA SER A 38 -14.054 1.156 3.302 1.00 0.02 C ATOM 583 C SER A 38 -13.862 0.484 1.942 1.00 0.01 C ATOM 584 O SER A 38 -14.483 0.855 0.967 1.00 0.02 O ATOM 585 CB SER A 38 -15.051 0.360 4.152 1.00 0.01 C ATOM 586 OG SER A 38 -14.949 -1.020 3.828 1.00 0.02 O ATOM 0 H SER A 38 -15.064 2.684 2.198 1.00 0.02 H new ATOM 0 HA SER A 38 -13.109 1.187 3.844 1.00 0.02 H new ATOM 0 HB2 SER A 38 -14.846 0.512 5.212 1.00 0.01 H new ATOM 0 HB3 SER A 38 -16.066 0.714 3.970 1.00 0.01 H new ATOM 0 HG SER A 38 -14.053 -1.344 4.057 1.00 0.02 H new ATOM 592 N ILE A 39 -12.984 -0.491 1.854 1.00 0.02 N ATOM 593 CA ILE A 39 -12.738 -1.156 0.533 1.00 0.02 C ATOM 594 C ILE A 39 -12.427 -2.639 0.722 1.00 0.02 C ATOM 595 O ILE A 39 -11.768 -3.051 1.658 1.00 0.02 O ATOM 596 CB ILE A 39 -11.529 -0.497 -0.146 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.721 1.020 -0.158 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.399 -1.004 -1.588 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.592 1.685 -0.947 1.00 0.00 C ATOM 0 H ILE A 39 -12.432 -0.851 2.633 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.635 -1.049 -0.077 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.624 -0.751 0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.684 1.269 -0.605 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.735 1.401 0.863 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.539 -0.532 -2.063 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.263 -2.085 -1.583 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.303 -0.755 -2.144 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.737 2.765 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.635 1.449 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.598 1.315 -1.972 1.00 0.00 H new ATOM 611 N ARG A 40 -12.862 -3.432 -0.225 1.00 0.02 N ATOM 612 CA ARG A 40 -12.573 -4.893 -0.209 1.00 0.02 C ATOM 613 C ARG A 40 -11.884 -5.240 -1.530 1.00 0.01 C ATOM 614 O ARG A 40 -12.424 -5.001 -2.591 1.00 0.02 O ATOM 615 CB ARG A 40 -13.860 -5.713 -0.078 1.00 0.01 C ATOM 616 CG ARG A 40 -13.525 -7.206 -0.131 1.00 0.02 C ATOM 617 CD ARG A 40 -14.742 -8.017 0.319 1.00 0.02 C ATOM 618 NE ARG A 40 -14.367 -9.455 0.425 1.00 0.02 N ATOM 619 CZ ARG A 40 -15.144 -10.287 1.064 1.00 0.02 C ATOM 620 NH1 ARG A 40 -16.249 -9.858 1.610 1.00 0.02 N ATOM 621 NH2 ARG A 40 -14.816 -11.545 1.160 1.00 0.02 N ATOM 0 H ARG A 40 -13.416 -3.119 -1.022 1.00 0.02 H new ATOM 0 HA ARG A 40 -11.940 -5.130 0.646 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.361 -5.475 0.861 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.550 -5.456 -0.881 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -13.239 -7.490 -1.144 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -12.672 -7.422 0.513 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.101 -7.652 1.281 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.558 -7.894 -0.393 1.00 0.02 H new ATOM 0 HE ARG A 40 -13.503 -9.789 -0.002 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.505 -8.873 1.537 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -16.857 -10.507 2.109 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -13.951 -11.880 0.736 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -15.424 -12.194 1.660 1.00 0.02 H new ATOM 635 N VAL A 41 -10.723 -5.839 -1.484 1.00 0.02 N ATOM 636 CA VAL A 41 -10.037 -6.245 -2.748 1.00 0.01 C ATOM 637 C VAL A 41 -10.192 -7.754 -2.878 1.00 0.02 C ATOM 638 O VAL A 41 -9.686 -8.506 -2.071 1.00 0.02 O ATOM 639 CB VAL A 41 -8.562 -5.855 -2.697 1.00 0.01 C ATOM 640 CG1 VAL A 41 -7.919 -6.154 -4.053 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.455 -4.356 -2.415 1.00 0.00 C ATOM 0 H VAL A 41 -10.219 -6.065 -0.626 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.477 -5.742 -3.609 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.055 -6.419 -1.914 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.865 -5.878 -4.025 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -8.010 -7.218 -4.272 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.424 -5.579 -4.830 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.405 -4.067 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.956 -3.800 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.928 -4.131 -1.459 1.00 0.00 H new ATOM 651 N GLU A 42 -10.913 -8.204 -3.872 1.00 0.01 N ATOM 652 CA GLU A 42 -11.129 -9.669 -4.030 1.00 0.01 C ATOM 653 C GLU A 42 -9.963 -10.291 -4.783 1.00 0.02 C ATOM 654 O GLU A 42 -9.590 -11.418 -4.526 1.00 0.01 O ATOM 655 CB GLU A 42 -12.428 -9.914 -4.803 1.00 0.99 C ATOM 656 CG GLU A 42 -12.864 -11.370 -4.630 1.00 1.86 C ATOM 657 CD GLU A 42 -14.206 -11.587 -5.330 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.209 -11.688 -6.545 1.00 3.67 O ATOM 659 OE2 GLU A 42 -15.209 -11.648 -4.637 1.00 3.81 O ATOM 0 H GLU A 42 -11.360 -7.620 -4.579 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.199 -10.127 -3.043 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -13.209 -9.245 -4.442 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.281 -9.691 -5.860 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -12.111 -12.038 -5.048 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -12.951 -11.611 -3.571 1.00 1.86 H new ATOM 666 N GLY A 43 -9.380 -9.592 -5.719 1.00 0.01 N ATOM 667 CA GLY A 43 -8.248 -10.207 -6.466 1.00 0.02 C ATOM 668 C GLY A 43 -7.445 -9.143 -7.207 1.00 0.02 C ATOM 669 O GLY A 43 -7.984 -8.141 -7.631 1.00 0.02 O ATOM 0 H GLY A 43 -9.632 -8.643 -5.994 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.598 -10.743 -5.774 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.631 -10.940 -7.176 1.00 0.02 H new ATOM 673 N GLY A 44 -6.173 -9.371 -7.393 1.00 0.00 N ATOM 674 CA GLY A 44 -5.340 -8.380 -8.130 1.00 0.01 C ATOM 675 C GLY A 44 -4.852 -7.286 -7.175 1.00 0.01 C ATOM 676 O GLY A 44 -5.285 -7.194 -6.043 1.00 0.01 O ATOM 0 H GLY A 44 -5.676 -10.200 -7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.487 -8.880 -8.588 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.921 -7.935 -8.938 1.00 0.01 H new ATOM 680 N THR A 45 -3.978 -6.438 -7.651 1.00 0.01 N ATOM 681 CA THR A 45 -3.465 -5.303 -6.818 1.00 0.00 C ATOM 682 C THR A 45 -3.836 -4.000 -7.526 1.00 0.01 C ATOM 683 O THR A 45 -3.733 -3.907 -8.732 1.00 0.01 O ATOM 684 CB THR A 45 -1.940 -5.407 -6.696 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.608 -6.547 -5.915 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.386 -4.147 -6.027 1.00 1.48 C ATOM 0 H THR A 45 -3.591 -6.482 -8.594 1.00 0.01 H new ATOM 0 HA THR A 45 -3.900 -5.332 -5.819 1.00 0.00 H new ATOM 0 HB THR A 45 -1.503 -5.505 -7.690 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.634 -6.617 -5.837 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.302 -4.226 -5.943 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.640 -3.274 -6.628 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.820 -4.042 -5.033 1.00 1.48 H new ATOM 694 N TRP A 46 -4.341 -3.016 -6.814 1.00 0.02 N ATOM 695 CA TRP A 46 -4.789 -1.752 -7.493 1.00 0.01 C ATOM 696 C TRP A 46 -4.155 -0.503 -6.879 1.00 0.01 C ATOM 697 O TRP A 46 -3.798 -0.452 -5.720 1.00 0.01 O ATOM 698 CB TRP A 46 -6.309 -1.642 -7.364 1.00 0.00 C ATOM 699 CG TRP A 46 -6.949 -2.824 -8.012 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.854 -4.099 -7.572 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.780 -2.865 -9.208 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.574 -4.920 -8.419 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.164 -4.206 -9.443 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.234 -1.879 -10.102 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.968 -4.556 -10.527 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -9.044 -2.228 -11.194 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.411 -3.565 -11.407 1.00 0.01 C ATOM 0 H TRP A 46 -4.462 -3.032 -5.801 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.476 -1.805 -8.536 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.593 -1.592 -6.313 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.659 -0.722 -7.833 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.305 -4.423 -6.700 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.659 -5.930 -8.302 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.958 -0.846 -9.947 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.247 -5.587 -10.686 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.387 -1.462 -11.874 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -10.034 -3.828 -12.249 1.00 0.01 H new ATOM 718 N ALA A 47 -4.090 0.530 -7.679 1.00 0.01 N ATOM 719 CA ALA A 47 -3.570 1.851 -7.222 1.00 0.01 C ATOM 720 C ALA A 47 -4.787 2.771 -7.159 1.00 0.01 C ATOM 721 O ALA A 47 -5.581 2.821 -8.077 1.00 0.01 O ATOM 722 CB ALA A 47 -2.546 2.389 -8.223 1.00 0.24 C ATOM 0 H ALA A 47 -4.384 0.510 -8.656 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.070 1.779 -6.256 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.173 3.354 -7.879 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.716 1.688 -8.306 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -3.019 2.509 -9.198 1.00 0.24 H new ATOM 728 N VAL A 48 -4.924 3.516 -6.092 1.00 0.01 N ATOM 729 CA VAL A 48 -6.076 4.465 -5.962 1.00 0.02 C ATOM 730 C VAL A 48 -5.546 5.893 -5.846 1.00 0.01 C ATOM 731 O VAL A 48 -4.520 6.126 -5.235 1.00 0.01 O ATOM 732 CB VAL A 48 -6.901 4.111 -4.725 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.498 2.713 -4.894 1.00 0.48 C ATOM 734 CG2 VAL A 48 -6.001 4.134 -3.485 1.00 0.65 C ATOM 0 H VAL A 48 -4.283 3.509 -5.298 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.712 4.388 -6.844 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.704 4.838 -4.604 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.087 2.460 -4.012 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.139 2.695 -5.775 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.695 1.986 -5.015 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.590 3.882 -2.603 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.198 3.407 -3.605 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.574 5.130 -3.363 1.00 0.65 H new ATOM 744 N TYR A 49 -6.232 6.847 -6.432 1.00 0.01 N ATOM 745 CA TYR A 49 -5.767 8.273 -6.370 1.00 0.01 C ATOM 746 C TYR A 49 -6.837 9.145 -5.716 1.00 0.01 C ATOM 747 O TYR A 49 -8.026 8.912 -5.831 1.00 0.02 O ATOM 748 CB TYR A 49 -5.488 8.776 -7.787 1.00 0.01 C ATOM 749 CG TYR A 49 -4.236 8.114 -8.315 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.254 6.756 -8.659 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.057 8.857 -8.462 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.096 6.143 -9.151 1.00 0.01 C ATOM 753 CE2 TYR A 49 -1.900 8.243 -8.954 1.00 0.01 C ATOM 754 CZ TYR A 49 -1.918 6.886 -9.298 1.00 0.02 C ATOM 755 OH TYR A 49 -0.777 6.282 -9.783 1.00 0.01 O ATOM 0 H TYR A 49 -7.097 6.700 -6.952 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.855 8.328 -5.775 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.333 8.552 -8.438 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.366 9.859 -7.783 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.162 6.182 -8.544 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.041 9.903 -8.196 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.111 5.096 -9.417 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -0.992 8.816 -9.069 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.051 6.939 -9.823 1.00 0.01 H new ATOM 765 N GLU A 50 -6.392 10.133 -4.987 1.00 0.01 N ATOM 766 CA GLU A 50 -7.326 11.032 -4.255 1.00 0.01 C ATOM 767 C GLU A 50 -8.173 11.857 -5.227 1.00 0.01 C ATOM 768 O GLU A 50 -9.315 12.158 -4.941 1.00 0.02 O ATOM 769 CB GLU A 50 -6.502 11.979 -3.379 1.00 0.02 C ATOM 770 CG GLU A 50 -7.438 12.780 -2.472 1.00 0.01 C ATOM 771 CD GLU A 50 -6.613 13.556 -1.443 1.00 0.02 C ATOM 772 OE1 GLU A 50 -6.088 14.598 -1.799 1.00 0.01 O ATOM 773 OE2 GLU A 50 -6.521 13.095 -0.317 1.00 0.02 O ATOM 0 H GLU A 50 -5.404 10.357 -4.867 1.00 0.01 H new ATOM 0 HA GLU A 50 -7.997 10.425 -3.647 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.794 11.410 -2.777 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -5.918 12.655 -4.004 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -8.037 13.469 -3.068 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.133 12.110 -1.966 1.00 0.01 H new ATOM 780 N ARG A 51 -7.631 12.250 -6.361 1.00 0.02 N ATOM 781 CA ARG A 51 -8.422 13.085 -7.329 1.00 0.02 C ATOM 782 C ARG A 51 -8.436 12.398 -8.713 1.00 0.01 C ATOM 783 O ARG A 51 -7.569 11.595 -9.016 1.00 0.02 O ATOM 784 CB ARG A 51 -7.736 14.467 -7.433 1.00 0.02 C ATOM 785 CG ARG A 51 -8.395 15.462 -6.471 1.00 0.01 C ATOM 786 CD ARG A 51 -7.613 16.779 -6.478 1.00 0.02 C ATOM 787 NE ARG A 51 -6.195 16.519 -6.101 1.00 0.02 N ATOM 788 CZ ARG A 51 -5.284 17.425 -6.329 1.00 0.02 C ATOM 789 NH1 ARG A 51 -5.614 18.558 -6.888 1.00 0.02 N ATOM 790 NH2 ARG A 51 -4.042 17.200 -5.997 1.00 0.01 N ATOM 0 H ARG A 51 -6.680 12.030 -6.657 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.451 13.199 -6.987 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.676 14.373 -7.199 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -7.805 14.839 -8.455 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.429 15.640 -6.768 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.419 15.047 -5.463 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -7.659 17.236 -7.466 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -8.062 17.484 -5.779 1.00 0.02 H new ATOM 0 HE ARG A 51 -5.937 15.634 -5.665 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -6.585 18.735 -7.147 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -4.901 19.266 -7.066 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -3.783 16.316 -5.559 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -3.330 17.908 -6.175 1.00 0.01 H new ATOM 804 N PRO A 52 -9.414 12.717 -9.549 1.00 0.02 N ATOM 805 CA PRO A 52 -9.520 12.103 -10.906 1.00 0.02 C ATOM 806 C PRO A 52 -8.234 12.242 -11.728 1.00 0.01 C ATOM 807 O PRO A 52 -7.344 13.010 -11.418 1.00 0.02 O ATOM 808 CB PRO A 52 -10.688 12.889 -11.548 1.00 0.02 C ATOM 809 CG PRO A 52 -11.137 13.984 -10.561 1.00 0.01 C ATOM 810 CD PRO A 52 -10.483 13.702 -9.203 1.00 0.01 C ATOM 0 HA PRO A 52 -9.685 11.027 -10.861 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.372 13.335 -12.491 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.517 12.219 -11.774 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -10.845 14.968 -10.927 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.223 13.989 -10.466 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -10.070 14.607 -8.757 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.196 13.291 -8.488 1.00 0.01 H new ATOM 818 N ASN A 53 -8.181 11.504 -12.803 1.00 0.02 N ATOM 819 CA ASN A 53 -7.015 11.558 -13.725 1.00 0.02 C ATOM 820 C ASN A 53 -5.739 11.085 -13.029 1.00 0.01 C ATOM 821 O ASN A 53 -4.658 11.580 -13.273 1.00 0.01 O ATOM 822 CB ASN A 53 -6.838 12.996 -14.224 1.00 0.01 C ATOM 823 CG ASN A 53 -5.983 13.002 -15.494 1.00 0.02 C ATOM 824 OD1 ASN A 53 -6.530 13.327 -16.634 1.00 0.02 O flip ATOM 825 ND2 ASN A 53 -4.805 12.707 -15.449 1.00 0.01 N flip ATOM 0 H ASN A 53 -8.914 10.853 -13.085 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.202 10.892 -14.567 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.811 13.443 -14.428 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.364 13.603 -13.452 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -4.377 12.453 -14.559 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -4.245 12.714 -16.301 1.00 0.01 H new ATOM 832 N PHE A 54 -5.868 10.100 -12.180 1.00 0.02 N ATOM 833 CA PHE A 54 -4.682 9.544 -11.472 1.00 0.01 C ATOM 834 C PHE A 54 -3.794 10.672 -10.943 1.00 0.01 C ATOM 835 O PHE A 54 -2.602 10.709 -11.177 1.00 0.02 O ATOM 836 CB PHE A 54 -3.893 8.654 -12.444 1.00 1.78 C ATOM 837 CG PHE A 54 -4.859 7.933 -13.361 1.00 2.32 C ATOM 838 CD1 PHE A 54 -5.930 7.208 -12.821 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.685 7.988 -14.751 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.825 6.542 -13.667 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.581 7.322 -15.597 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.651 6.600 -15.055 1.00 3.39 C ATOM 0 H PHE A 54 -6.755 9.654 -11.946 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.014 8.951 -10.620 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.201 9.260 -13.030 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.293 7.932 -11.889 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -6.065 7.163 -11.750 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -3.859 8.544 -15.170 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.650 5.984 -13.249 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.446 7.365 -16.668 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.342 6.088 -15.708 1.00 3.39 H new ATOM 852 N SER A 55 -4.390 11.594 -10.225 1.00 0.02 N ATOM 853 CA SER A 55 -3.620 12.748 -9.653 1.00 0.02 C ATOM 854 C SER A 55 -3.854 12.829 -8.143 1.00 0.01 C ATOM 855 O SER A 55 -4.772 12.231 -7.613 1.00 0.01 O ATOM 856 CB SER A 55 -4.098 14.043 -10.310 1.00 1.90 C ATOM 857 OG SER A 55 -5.465 14.259 -9.985 1.00 2.33 O ATOM 0 H SER A 55 -5.387 11.597 -10.008 1.00 0.02 H new ATOM 0 HA SER A 55 -2.556 12.606 -9.844 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.494 14.883 -9.967 1.00 1.90 H new ATOM 0 HB3 SER A 55 -3.975 13.983 -11.391 1.00 1.90 H new ATOM 0 HG SER A 55 -6.021 13.604 -10.456 1.00 2.33 H new ATOM 863 N GLY A 56 -3.020 13.552 -7.439 1.00 0.02 N ATOM 864 CA GLY A 56 -3.176 13.661 -5.958 1.00 0.02 C ATOM 865 C GLY A 56 -2.421 12.517 -5.274 1.00 0.02 C ATOM 866 O GLY A 56 -1.544 11.908 -5.856 1.00 0.00 O ATOM 0 H GLY A 56 -2.235 14.073 -7.829 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -2.793 14.621 -5.612 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.232 13.624 -5.690 1.00 0.02 H new ATOM 870 N HIS A 57 -2.734 12.229 -4.040 1.00 0.02 N ATOM 871 CA HIS A 57 -2.011 11.137 -3.321 1.00 0.02 C ATOM 872 C HIS A 57 -2.335 9.780 -3.953 1.00 0.01 C ATOM 873 O HIS A 57 -3.461 9.516 -4.323 1.00 0.01 O ATOM 874 CB HIS A 57 -2.434 11.134 -1.852 1.00 0.00 C ATOM 875 CG HIS A 57 -1.874 12.351 -1.167 1.00 0.01 C ATOM 876 ND1 HIS A 57 -0.990 12.260 -0.104 1.00 0.01 N ATOM 877 CD2 HIS A 57 -2.062 13.694 -1.384 1.00 0.01 C ATOM 878 CE1 HIS A 57 -0.682 13.513 0.276 1.00 0.02 C ATOM 879 NE2 HIS A 57 -1.308 14.425 -0.471 1.00 0.01 N ATOM 0 H HIS A 57 -3.458 12.701 -3.498 1.00 0.02 H new ATOM 0 HA HIS A 57 -0.937 11.310 -3.395 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.521 11.128 -1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.075 10.230 -1.361 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.698 14.118 -2.147 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -0.010 13.752 1.087 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -1.247 15.440 -0.390 1.00 0.01 H new ATOM 887 N MET A 58 -1.348 8.916 -4.076 1.00 0.02 N ATOM 888 CA MET A 58 -1.574 7.561 -4.683 1.00 0.02 C ATOM 889 C MET A 58 -1.251 6.466 -3.656 1.00 0.01 C ATOM 890 O MET A 58 -0.280 6.548 -2.929 1.00 0.01 O ATOM 891 CB MET A 58 -0.656 7.398 -5.898 1.00 2.61 C ATOM 892 CG MET A 58 0.803 7.400 -5.439 1.00 3.46 C ATOM 893 SD MET A 58 1.886 7.619 -6.872 1.00 4.50 S ATOM 894 CE MET A 58 2.049 5.869 -7.302 1.00 5.01 C ATOM 0 H MET A 58 -0.389 9.095 -3.779 1.00 0.02 H new ATOM 0 HA MET A 58 -2.617 7.471 -4.987 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.884 6.467 -6.417 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.826 8.208 -6.607 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.968 8.202 -4.719 1.00 3.46 H new ATOM 0 HG3 MET A 58 1.037 6.464 -4.932 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.569 5.775 -8.255 1.00 5.01 H new ATOM 0 HE2 MET A 58 2.617 5.355 -6.526 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.059 5.421 -7.384 1.00 5.01 H new ATOM 904 N TYR A 59 -2.068 5.443 -3.594 1.00 0.02 N ATOM 905 CA TYR A 59 -1.842 4.323 -2.620 1.00 0.01 C ATOM 906 C TYR A 59 -2.014 2.972 -3.327 1.00 0.01 C ATOM 907 O TYR A 59 -2.928 2.770 -4.103 1.00 0.02 O ATOM 908 CB TYR A 59 -2.868 4.421 -1.490 1.00 0.01 C ATOM 909 CG TYR A 59 -2.797 5.792 -0.866 1.00 0.01 C ATOM 910 CD1 TYR A 59 -3.526 6.849 -1.419 1.00 0.01 C ATOM 911 CD2 TYR A 59 -2.003 6.005 0.267 1.00 0.01 C ATOM 912 CE1 TYR A 59 -3.461 8.121 -0.842 1.00 0.01 C ATOM 913 CE2 TYR A 59 -1.939 7.279 0.846 1.00 0.02 C ATOM 914 CZ TYR A 59 -2.668 8.336 0.290 1.00 0.01 C ATOM 915 OH TYR A 59 -2.602 9.592 0.857 1.00 0.01 O ATOM 0 H TYR A 59 -2.893 5.333 -4.183 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.831 4.399 -2.219 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.870 4.237 -1.877 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.671 3.657 -0.738 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -4.140 6.683 -2.292 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -1.440 5.188 0.694 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -4.023 8.938 -1.270 1.00 0.01 H new ATOM 0 HE2 TYR A 59 -1.328 7.445 1.721 1.00 0.02 H new ATOM 0 HH TYR A 59 -1.664 9.842 0.991 1.00 0.01 H new ATOM 925 N ILE A 60 -1.135 2.037 -3.043 1.00 0.02 N ATOM 926 CA ILE A 60 -1.220 0.678 -3.662 1.00 0.01 C ATOM 927 C ILE A 60 -1.954 -0.258 -2.690 1.00 0.01 C ATOM 928 O ILE A 60 -1.654 -0.288 -1.513 1.00 0.01 O ATOM 929 CB ILE A 60 0.198 0.149 -3.931 1.00 0.45 C ATOM 930 CG1 ILE A 60 0.791 0.870 -5.149 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.155 -1.356 -4.219 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.943 2.365 -4.854 1.00 1.72 C ATOM 0 H ILE A 60 -0.353 2.162 -2.400 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.763 0.727 -4.606 1.00 0.01 H new ATOM 0 HB ILE A 60 0.814 0.332 -3.050 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.761 0.440 -5.399 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.146 0.726 -6.016 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.165 -1.719 -4.408 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.264 -1.879 -3.359 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.467 -1.541 -5.095 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.365 2.867 -5.725 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.034 2.792 -4.627 1.00 1.72 H new ATOM 0 HD13 ILE A 60 1.606 2.502 -4.000 1.00 1.72 H new ATOM 944 N LEU A 61 -2.926 -1.004 -3.167 1.00 0.01 N ATOM 945 CA LEU A 61 -3.700 -1.923 -2.263 1.00 0.01 C ATOM 946 C LEU A 61 -3.583 -3.397 -2.740 1.00 0.01 C ATOM 947 O LEU A 61 -4.127 -3.744 -3.772 1.00 0.00 O ATOM 948 CB LEU A 61 -5.189 -1.503 -2.300 1.00 0.01 C ATOM 949 CG LEU A 61 -5.500 -0.481 -1.187 1.00 0.02 C ATOM 950 CD1 LEU A 61 -6.919 0.059 -1.392 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.398 -1.147 0.207 1.00 0.01 C ATOM 0 H LEU A 61 -3.218 -1.017 -4.144 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.297 -1.851 -1.253 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.425 -1.071 -3.272 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.822 -2.382 -2.180 1.00 0.01 H new ATOM 0 HG LEU A 61 -4.776 0.332 -1.237 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.149 0.783 -0.610 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -6.987 0.543 -2.366 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.632 -0.764 -1.346 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -5.621 -0.411 0.979 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.112 -1.968 0.271 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -4.389 -1.532 0.353 1.00 0.01 H new ATOM 963 N PRO A 62 -2.922 -4.282 -2.001 1.00 0.02 N ATOM 964 CA PRO A 62 -2.849 -5.712 -2.419 1.00 0.01 C ATOM 965 C PRO A 62 -4.171 -6.426 -2.090 1.00 0.00 C ATOM 966 O PRO A 62 -5.018 -5.885 -1.408 1.00 0.02 O ATOM 967 CB PRO A 62 -1.689 -6.246 -1.565 1.00 1.47 C ATOM 968 CG PRO A 62 -1.478 -5.269 -0.395 1.00 1.29 C ATOM 969 CD PRO A 62 -2.201 -3.948 -0.734 1.00 0.82 C ATOM 0 HA PRO A 62 -2.693 -5.861 -3.487 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.917 -7.245 -1.192 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.781 -6.328 -2.162 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -1.872 -5.692 0.529 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.415 -5.090 -0.236 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -2.889 -3.649 0.057 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.498 -3.126 -0.873 1.00 0.82 H new ATOM 977 N GLN A 63 -4.359 -7.627 -2.565 1.00 0.02 N ATOM 978 CA GLN A 63 -5.631 -8.353 -2.273 1.00 0.00 C ATOM 979 C GLN A 63 -5.889 -8.395 -0.763 1.00 0.00 C ATOM 980 O GLN A 63 -4.979 -8.579 0.021 1.00 0.02 O ATOM 981 CB GLN A 63 -5.528 -9.785 -2.803 1.00 1.27 C ATOM 982 CG GLN A 63 -6.895 -10.467 -2.699 1.00 1.67 C ATOM 983 CD GLN A 63 -6.782 -11.914 -3.181 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.607 -12.406 -3.464 1.00 4.25 O flip ATOM 985 NE2 GLN A 63 -7.774 -12.606 -3.303 1.00 3.04 N flip ATOM 0 H GLN A 63 -3.690 -8.137 -3.141 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.454 -7.830 -2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.191 -9.777 -3.840 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.787 -10.343 -2.231 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -7.248 -10.443 -1.668 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -7.628 -9.929 -3.300 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -8.693 -12.223 -3.082 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -7.687 -13.570 -3.626 1.00 3.04 H new ATOM 994 N GLY A 64 -7.120 -8.234 -0.340 1.00 0.02 N ATOM 995 CA GLY A 64 -7.405 -8.278 1.126 1.00 0.01 C ATOM 996 C GLY A 64 -8.679 -7.493 1.454 1.00 0.02 C ATOM 997 O GLY A 64 -9.345 -6.966 0.585 1.00 0.02 O ATOM 0 H GLY A 64 -7.930 -8.076 -0.940 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.516 -9.313 1.449 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.563 -7.861 1.678 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.017 -7.419 2.717 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.245 -6.676 3.149 1.00 0.02 C ATOM 1003 C GLU A 65 -9.848 -5.531 4.082 1.00 0.02 C ATOM 1004 O GLU A 65 -9.120 -5.716 5.037 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.167 -7.639 3.902 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.513 -6.959 4.161 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.428 -7.914 4.931 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -13.157 -9.103 4.919 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -14.385 -7.438 5.520 1.00 0.71 O ATOM 0 H GLU A 65 -8.489 -7.846 3.478 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.757 -6.272 2.275 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.313 -8.549 3.320 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.709 -7.934 4.846 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.365 -6.042 4.731 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -12.977 -6.676 3.216 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.346 -4.347 3.812 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.041 -3.162 4.670 1.00 0.02 C ATOM 1018 C TYR A 66 -11.373 -2.629 5.233 1.00 0.02 C ATOM 1019 O TYR A 66 -12.072 -1.892 4.557 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.391 -2.085 3.799 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.075 -2.610 3.278 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.048 -3.437 2.150 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -6.883 -2.279 3.930 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -6.828 -3.931 1.673 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.663 -2.774 3.454 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.635 -3.600 2.326 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.432 -4.089 1.858 1.00 0.01 O ATOM 0 H TYR A 66 -10.960 -4.151 3.021 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.368 -3.431 5.484 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.048 -1.823 2.970 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.232 -1.176 4.379 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -8.968 -3.694 1.647 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -6.904 -1.641 4.801 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -6.807 -4.568 0.801 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.743 -2.518 3.958 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.703 -3.762 2.426 1.00 0.01 H new ATOM 1037 N PRO A 67 -11.754 -3.007 6.443 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.048 -2.545 7.016 1.00 0.02 C ATOM 1039 C PRO A 67 -13.058 -1.061 7.415 1.00 0.02 C ATOM 1040 O PRO A 67 -14.090 -0.534 7.770 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.221 -3.458 8.248 1.00 0.02 C ATOM 1042 CG PRO A 67 -11.900 -4.220 8.480 1.00 0.02 C ATOM 1043 CD PRO A 67 -10.944 -3.912 7.311 1.00 0.01 C ATOM 0 HA PRO A 67 -13.858 -2.614 6.290 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.476 -2.865 9.126 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.040 -4.159 8.088 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.450 -3.919 9.426 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.087 -5.292 8.543 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.029 -3.429 7.655 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -10.647 -4.818 6.783 1.00 0.01 H new ATOM 1051 N GLU A 68 -11.945 -0.376 7.345 1.00 0.01 N ATOM 1052 CA GLU A 68 -11.929 1.073 7.714 1.00 0.01 C ATOM 1053 C GLU A 68 -10.765 1.734 6.964 1.00 0.03 C ATOM 1054 O GLU A 68 -9.794 1.102 6.602 1.00 0.02 O ATOM 1055 CB GLU A 68 -11.711 1.224 9.244 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.043 1.484 9.976 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.336 2.986 9.996 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -13.027 3.642 9.015 1.00 1.55 O ATOM 1059 OE2 GLU A 68 -13.858 3.456 10.993 1.00 2.02 O ATOM 0 H GLU A 68 -11.046 -0.757 7.048 1.00 0.01 H new ATOM 0 HA GLU A 68 -12.876 1.543 7.448 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.247 0.320 9.638 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -11.021 2.046 9.436 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -13.853 0.952 9.477 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -12.990 1.100 10.995 1.00 1.09 H new ATOM 1066 N TYR A 69 -10.890 3.002 6.697 1.00 0.02 N ATOM 1067 CA TYR A 69 -9.834 3.712 5.926 1.00 0.02 C ATOM 1068 C TYR A 69 -8.481 3.659 6.645 1.00 0.01 C ATOM 1069 O TYR A 69 -7.435 3.540 6.031 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.268 5.160 5.673 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.888 5.735 6.923 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -12.267 5.612 7.140 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -10.089 6.399 7.861 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -12.844 6.153 8.295 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -10.667 6.939 9.017 1.00 0.02 C ATOM 1076 CZ TYR A 69 -12.045 6.816 9.233 1.00 0.02 C ATOM 1077 OH TYR A 69 -12.614 7.351 10.370 1.00 0.01 O ATOM 0 H TYR A 69 -11.681 3.580 6.981 1.00 0.02 H new ATOM 0 HA TYR A 69 -9.705 3.208 4.968 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -9.408 5.760 5.374 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -10.984 5.196 4.852 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.884 5.100 6.417 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -9.026 6.495 7.693 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -13.907 6.059 8.462 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -10.050 7.450 9.741 1.00 0.02 H new ATOM 0 HH TYR A 69 -11.919 7.775 10.915 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.484 3.755 7.946 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.202 3.702 8.694 1.00 0.02 C ATOM 1089 C GLN A 70 -6.501 2.367 8.414 1.00 0.01 C ATOM 1090 O GLN A 70 -5.297 2.246 8.521 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.485 3.822 10.195 1.00 0.01 C ATOM 1092 CG GLN A 70 -7.818 5.277 10.535 1.00 0.01 C ATOM 1093 CD GLN A 70 -6.548 6.122 10.448 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -6.279 6.732 9.433 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -5.749 6.185 11.478 1.00 0.02 N ATOM 0 H GLN A 70 -9.319 3.868 8.521 1.00 0.01 H new ATOM 0 HA GLN A 70 -6.560 4.524 8.375 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.315 3.173 10.473 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -6.618 3.493 10.767 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.571 5.660 9.846 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -8.242 5.340 11.537 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -5.975 5.673 12.331 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -4.899 6.747 11.430 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.262 1.363 8.042 1.00 0.01 N ATOM 1105 CA ARG A 71 -6.661 0.033 7.740 1.00 0.02 C ATOM 1106 C ARG A 71 -5.893 0.120 6.421 1.00 0.01 C ATOM 1107 O ARG A 71 -5.014 -0.670 6.141 1.00 0.02 O ATOM 1108 CB ARG A 71 -7.761 -1.031 7.622 1.00 0.34 C ATOM 1109 CG ARG A 71 -7.148 -2.443 7.710 1.00 0.72 C ATOM 1110 CD ARG A 71 -7.034 -2.885 9.176 1.00 1.04 C ATOM 1111 NE ARG A 71 -6.017 -3.968 9.289 1.00 1.67 N ATOM 1112 CZ ARG A 71 -5.546 -4.301 10.459 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -5.963 -3.682 11.530 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -4.657 -5.251 10.558 1.00 3.42 N ATOM 0 H ARG A 71 -8.275 1.413 7.936 1.00 0.01 H new ATOM 0 HA ARG A 71 -5.985 -0.248 8.547 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.495 -0.895 8.416 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -8.290 -0.915 6.676 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -7.766 -3.150 7.157 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -6.163 -2.449 7.244 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -6.751 -2.038 9.802 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -8.000 -3.239 9.537 1.00 1.04 H new ATOM 0 HE ARG A 71 -5.689 -4.449 8.451 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -6.657 -2.938 11.452 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -5.595 -3.942 12.445 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -4.330 -5.733 9.721 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -4.289 -5.511 11.473 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.231 1.094 5.613 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.552 1.286 4.295 1.00 0.01 C ATOM 1130 C TRP A 72 -4.670 2.534 4.409 1.00 0.01 C ATOM 1131 O TRP A 72 -4.085 2.999 3.453 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.645 1.451 3.216 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.177 2.294 2.067 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.116 2.023 1.273 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.754 3.535 1.568 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -5.001 3.022 0.323 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -5.989 3.977 0.464 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -7.855 4.314 1.966 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.306 5.149 -0.222 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.177 5.495 1.277 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.404 5.911 0.186 1.00 0.02 C ATOM 0 H TRP A 72 -6.962 1.776 5.815 1.00 0.02 H new ATOM 0 HA TRP A 72 -4.925 0.438 4.020 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -6.942 0.469 2.848 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.530 1.905 3.662 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.465 1.166 1.366 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.276 3.050 -0.394 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.457 4.002 2.807 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.707 5.466 -1.063 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -9.025 6.085 1.590 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.656 6.820 -0.340 1.00 0.02 H new ATOM 1152 N MET A 73 -4.575 3.067 5.594 1.00 0.02 N ATOM 1153 CA MET A 73 -3.739 4.279 5.827 1.00 0.02 C ATOM 1154 C MET A 73 -4.247 5.462 4.990 1.00 0.01 C ATOM 1155 O MET A 73 -3.524 6.397 4.710 1.00 0.02 O ATOM 1156 CB MET A 73 -2.281 3.980 5.459 1.00 0.02 C ATOM 1157 CG MET A 73 -1.873 2.617 6.025 1.00 0.01 C ATOM 1158 SD MET A 73 -2.227 2.564 7.799 1.00 0.01 S ATOM 1159 CE MET A 73 -1.737 0.845 8.078 1.00 0.01 C ATOM 0 H MET A 73 -5.048 2.709 6.424 1.00 0.02 H new ATOM 0 HA MET A 73 -3.805 4.545 6.882 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.161 3.985 4.376 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.629 4.759 5.855 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.415 1.822 5.512 1.00 0.01 H new ATOM 0 HG3 MET A 73 -0.811 2.443 5.851 1.00 0.01 H new ATOM 0 HE1 MET A 73 -1.876 0.593 9.129 1.00 0.01 H new ATOM 0 HE2 MET A 73 -2.351 0.187 7.463 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.688 0.718 7.810 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.493 5.419 4.595 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.058 6.532 3.784 1.00 0.02 C ATOM 1171 C GLY A 74 -5.985 7.829 4.587 1.00 0.01 C ATOM 1172 O GLY A 74 -6.154 7.834 5.790 1.00 0.01 O ATOM 0 H GLY A 74 -6.142 4.660 4.800 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.503 6.636 2.852 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.092 6.314 3.517 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.767 8.935 3.930 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.723 10.234 4.662 1.00 0.02 C ATOM 1178 C LEU A 75 -7.165 10.697 4.911 1.00 0.01 C ATOM 1179 O LEU A 75 -7.463 11.330 5.904 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.962 11.270 3.822 1.00 0.55 C ATOM 1181 CG LEU A 75 -3.450 11.095 4.011 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -3.063 9.626 3.810 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -2.711 11.963 2.988 1.00 0.42 C ATOM 0 H LEU A 75 -5.618 8.996 2.923 1.00 0.02 H new ATOM 0 HA LEU A 75 -5.207 10.119 5.615 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -5.220 11.156 2.769 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -5.259 12.277 4.116 1.00 0.55 H new ATOM 0 HG LEU A 75 -3.175 11.399 5.021 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -1.988 9.511 3.946 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -3.589 9.008 4.538 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -3.337 9.312 2.803 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -1.635 11.842 3.118 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -2.991 11.656 1.980 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -2.979 13.009 3.137 1.00 0.42 H new ATOM 1195 N ASN A 76 -8.064 10.359 4.023 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.496 10.728 4.182 1.00 0.02 C ATOM 1197 C ASN A 76 -10.300 9.740 3.333 1.00 0.02 C ATOM 1198 O ASN A 76 -9.754 8.778 2.832 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.724 12.160 3.689 1.00 0.02 C ATOM 1200 CG ASN A 76 -11.111 12.633 4.127 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -11.817 13.378 3.322 1.00 0.01 O flip ATOM 1202 ND2 ASN A 76 -11.557 12.320 5.213 1.00 0.02 N flip ATOM 0 H ASN A 76 -7.857 9.830 3.176 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.803 10.684 5.227 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -8.958 12.822 4.093 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -9.640 12.200 2.603 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -11.005 11.737 5.842 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -12.484 12.640 5.495 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.582 9.942 3.168 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.393 8.977 2.355 1.00 0.01 C ATOM 1211 C ASP A 77 -12.591 9.505 0.931 1.00 0.01 C ATOM 1212 O ASP A 77 -13.589 9.210 0.297 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.765 8.796 3.010 1.00 0.01 C ATOM 1214 CG ASP A 77 -14.372 10.168 3.311 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -13.936 11.133 2.705 1.00 0.01 O ATOM 1216 OD2 ASP A 77 -15.264 10.229 4.142 1.00 0.02 O ATOM 0 H ASP A 77 -12.103 10.728 3.557 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.863 8.026 2.311 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.424 8.232 2.349 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -13.667 8.220 3.930 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.673 10.295 0.422 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.839 10.849 -0.962 1.00 0.01 C ATOM 1223 C ARG A 78 -11.060 10.010 -1.983 1.00 0.02 C ATOM 1224 O ARG A 78 -9.858 9.854 -1.891 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.338 12.296 -0.993 1.00 0.43 C ATOM 1226 CG ARG A 78 -12.335 13.203 -0.259 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.869 14.677 -0.317 1.00 1.00 C ATOM 1228 NE ARG A 78 -12.014 15.315 1.031 1.00 1.30 N ATOM 1229 CZ ARG A 78 -13.111 15.183 1.732 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -14.152 14.579 1.228 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -13.175 15.686 2.934 1.00 3.20 N ATOM 0 H ARG A 78 -10.819 10.579 0.903 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.896 10.817 -1.227 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -10.357 12.362 -0.523 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -11.220 12.628 -2.024 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -13.322 13.109 -0.711 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -12.429 12.885 0.779 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -10.829 14.726 -0.641 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.458 15.224 -1.053 1.00 1.00 H new ATOM 0 HE ARG A 78 -11.242 15.863 1.410 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -14.115 14.205 0.280 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -15.003 14.481 1.782 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -12.372 16.180 3.324 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -14.028 15.586 3.484 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.740 9.492 -2.972 1.00 0.01 N ATOM 1246 CA LEU A 79 -11.063 8.684 -4.035 1.00 0.01 C ATOM 1247 C LEU A 79 -11.759 8.990 -5.367 1.00 0.01 C ATOM 1248 O LEU A 79 -12.960 8.840 -5.486 1.00 0.02 O ATOM 1249 CB LEU A 79 -11.192 7.191 -3.708 1.00 1.04 C ATOM 1250 CG LEU A 79 -10.171 6.793 -2.630 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.423 5.336 -2.225 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.727 6.952 -3.158 1.00 2.61 C ATOM 0 H LEU A 79 -12.748 9.594 -3.092 1.00 0.01 H new ATOM 0 HA LEU A 79 -10.004 8.934 -4.094 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -12.202 6.973 -3.361 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -11.030 6.599 -4.609 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.288 7.446 -1.765 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.704 5.041 -1.460 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.434 5.238 -1.830 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.310 4.691 -3.097 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -8.021 6.665 -2.379 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.586 6.312 -4.029 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.555 7.991 -3.439 1.00 2.61 H new ATOM 1264 N GLY A 80 -11.033 9.467 -6.355 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.672 9.844 -7.663 1.00 0.02 C ATOM 1266 C GLY A 80 -11.302 8.890 -8.808 1.00 0.02 C ATOM 1267 O GLY A 80 -11.965 8.875 -9.826 1.00 0.01 O ATOM 0 H GLY A 80 -10.024 9.612 -6.312 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.755 9.855 -7.542 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.371 10.857 -7.930 1.00 0.02 H new ATOM 1271 N SER A 81 -10.265 8.101 -8.689 1.00 0.01 N ATOM 1272 CA SER A 81 -9.912 7.187 -9.824 1.00 0.01 C ATOM 1273 C SER A 81 -9.095 5.999 -9.316 1.00 0.02 C ATOM 1274 O SER A 81 -8.450 6.063 -8.287 1.00 0.01 O ATOM 1275 CB SER A 81 -9.100 7.959 -10.863 1.00 0.01 C ATOM 1276 OG SER A 81 -7.922 8.470 -10.253 1.00 0.01 O ATOM 0 H SER A 81 -9.656 8.047 -7.873 1.00 0.01 H new ATOM 0 HA SER A 81 -10.831 6.814 -10.277 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.838 7.306 -11.696 1.00 0.01 H new ATOM 0 HB3 SER A 81 -9.695 8.775 -11.273 1.00 0.01 H new ATOM 0 HG SER A 81 -8.072 9.399 -9.980 1.00 0.01 H new ATOM 1282 N CYS A 82 -9.121 4.906 -10.043 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.346 3.697 -9.618 1.00 0.01 C ATOM 1284 C CYS A 82 -7.795 2.961 -10.847 1.00 0.01 C ATOM 1285 O CYS A 82 -8.404 2.948 -11.900 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.260 2.758 -8.828 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.103 3.689 -7.525 1.00 0.02 S ATOM 0 H CYS A 82 -9.645 4.800 -10.912 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.512 4.013 -8.991 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.992 2.300 -9.494 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -8.676 1.948 -8.391 1.00 0.01 H new ATOM 0 HG CYS A 82 -9.469 4.803 -7.308 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.649 2.337 -10.716 1.00 0.01 N ATOM 1294 CA ARG A 83 -6.047 1.589 -11.868 1.00 0.01 C ATOM 1295 C ARG A 83 -5.469 0.261 -11.367 1.00 0.01 C ATOM 1296 O ARG A 83 -4.927 0.174 -10.283 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.896 2.399 -12.467 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.448 3.648 -13.158 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.345 4.285 -14.008 1.00 0.01 C ATOM 1300 NE ARG A 83 -3.035 4.133 -13.315 1.00 0.01 N ATOM 1301 CZ ARG A 83 -1.924 4.329 -13.969 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -1.959 4.660 -15.231 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -0.776 4.199 -13.363 1.00 0.01 N ATOM 0 H ARG A 83 -6.101 2.313 -9.856 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.821 1.417 -12.616 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.194 2.685 -11.684 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.344 1.790 -13.183 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -6.300 3.384 -13.785 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -5.807 4.360 -12.415 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.307 3.811 -14.989 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -4.561 5.341 -14.172 1.00 0.01 H new ATOM 0 HE ARG A 83 -3.007 3.875 -12.328 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.856 4.765 -15.706 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -1.090 4.813 -15.742 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -0.746 3.944 -12.376 1.00 0.01 H new ATOM 0 HH22 ARG A 83 0.092 4.353 -13.876 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.585 -0.779 -12.149 1.00 0.01 N ATOM 1318 CA ALA A 84 -5.049 -2.100 -11.721 1.00 0.01 C ATOM 1319 C ALA A 84 -3.531 -2.139 -11.932 1.00 0.01 C ATOM 1320 O ALA A 84 -3.026 -1.805 -12.986 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.703 -3.206 -12.553 1.00 0.43 C ATOM 0 H ALA A 84 -6.029 -0.769 -13.067 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.270 -2.252 -10.665 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.312 -4.175 -12.242 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.782 -3.185 -12.402 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.481 -3.047 -13.608 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.808 -2.567 -10.930 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.322 -2.663 -11.043 1.00 0.01 C ATOM 1329 C VAL A 85 -0.955 -4.059 -11.551 1.00 0.01 C ATOM 1330 O VAL A 85 -1.340 -5.054 -10.968 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.682 -2.436 -9.669 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.836 -2.305 -9.824 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.240 -1.149 -9.053 1.00 1.12 C ATOM 0 H VAL A 85 -3.188 -2.857 -10.029 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.956 -1.905 -11.736 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.910 -3.282 -9.021 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.289 -2.144 -8.846 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.237 -3.218 -10.263 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.064 -1.460 -10.473 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.785 -0.987 -8.076 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -1.012 -0.305 -9.704 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.320 -1.238 -8.940 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.216 -4.156 -12.624 1.00 0.01 N ATOM 1344 CA HIS A 86 0.166 -5.502 -13.151 1.00 0.01 C ATOM 1345 C HIS A 86 1.530 -5.899 -12.585 1.00 0.01 C ATOM 1346 O HIS A 86 2.473 -5.132 -12.608 1.00 0.00 O ATOM 1347 CB HIS A 86 0.256 -5.441 -14.676 1.00 0.21 C ATOM 1348 CG HIS A 86 -1.041 -4.922 -15.235 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -2.240 -5.597 -15.070 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -1.341 -3.794 -15.957 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -3.198 -4.876 -15.681 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -2.703 -3.768 -16.238 1.00 1.71 N ATOM 0 H HIS A 86 0.140 -3.364 -13.159 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.584 -6.236 -12.855 1.00 0.01 H new ATOM 0 HB2 HIS A 86 1.079 -4.793 -14.977 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.467 -6.432 -15.078 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -0.628 -3.041 -16.261 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -4.240 -5.159 -15.716 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -3.214 -3.055 -16.758 1.00 1.71 H new ATOM 1360 N LEU A 87 1.638 -7.099 -12.077 1.00 0.01 N ATOM 1361 CA LEU A 87 2.936 -7.573 -11.505 1.00 0.01 C ATOM 1362 C LEU A 87 3.670 -8.381 -12.577 1.00 0.01 C ATOM 1363 O LEU A 87 3.070 -9.155 -13.294 1.00 0.01 O ATOM 1364 CB LEU A 87 2.646 -8.470 -10.291 1.00 0.67 C ATOM 1365 CG LEU A 87 1.440 -7.931 -9.517 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.241 -8.765 -8.249 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.688 -6.471 -9.131 1.00 1.34 C ATOM 0 H LEU A 87 0.877 -7.777 -12.033 1.00 0.01 H new ATOM 0 HA LEU A 87 3.549 -6.728 -11.193 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.450 -9.490 -10.621 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.519 -8.508 -9.640 1.00 0.67 H new ATOM 0 HG LEU A 87 0.549 -7.993 -10.142 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.383 -8.385 -7.694 1.00 1.63 H new ATOM 0 HD12 LEU A 87 1.065 -9.805 -8.522 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.133 -8.699 -7.627 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.828 -6.089 -8.580 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.578 -6.406 -8.505 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.835 -5.876 -10.033 1.00 1.34 H new ATOM 1379 N SER A 88 4.969 -8.224 -12.677 1.00 0.01 N ATOM 1380 CA SER A 88 5.764 -8.994 -13.683 1.00 0.01 C ATOM 1381 C SER A 88 6.667 -9.993 -12.957 1.00 0.01 C ATOM 1382 O SER A 88 7.444 -9.600 -12.109 1.00 0.01 O ATOM 1383 CB SER A 88 6.635 -8.035 -14.494 1.00 0.81 C ATOM 1384 OG SER A 88 5.823 -6.992 -15.017 1.00 1.08 O ATOM 0 H SER A 88 5.517 -7.588 -12.098 1.00 0.01 H new ATOM 0 HA SER A 88 5.084 -9.523 -14.350 1.00 0.01 H new ATOM 0 HB2 SER A 88 7.421 -7.619 -13.864 1.00 0.81 H new ATOM 0 HB3 SER A 88 7.127 -8.570 -15.306 1.00 0.81 H new ATOM 0 HG SER A 88 6.379 -6.374 -15.536 1.00 1.08 H new ATOM 1390 N SER A 89 6.636 -11.257 -13.297 1.00 0.01 N ATOM 1391 CA SER A 89 7.567 -12.230 -12.637 1.00 0.01 C ATOM 1392 C SER A 89 8.677 -12.517 -13.645 1.00 0.01 C ATOM 1393 O SER A 89 8.912 -11.714 -14.526 1.00 0.01 O ATOM 1394 CB SER A 89 6.816 -13.522 -12.309 1.00 0.43 C ATOM 1395 OG SER A 89 5.628 -13.208 -11.595 1.00 1.26 O ATOM 0 H SER A 89 6.012 -11.658 -13.997 1.00 0.01 H new ATOM 0 HA SER A 89 7.970 -11.828 -11.708 1.00 0.01 H new ATOM 0 HB2 SER A 89 6.571 -14.057 -13.227 1.00 0.43 H new ATOM 0 HB3 SER A 89 7.447 -14.182 -11.714 1.00 0.43 H new ATOM 0 HG SER A 89 5.144 -14.034 -11.385 1.00 1.26 H new ATOM 1401 N GLY A 90 9.342 -13.649 -13.582 1.00 0.01 N ATOM 1402 CA GLY A 90 10.397 -13.947 -14.606 1.00 0.00 C ATOM 1403 C GLY A 90 11.650 -14.586 -13.998 1.00 0.00 C ATOM 1404 O GLY A 90 12.092 -15.623 -14.450 1.00 0.01 O ATOM 0 H GLY A 90 9.202 -14.371 -12.875 1.00 0.01 H new ATOM 0 HA2 GLY A 90 9.985 -14.615 -15.362 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.675 -13.024 -15.114 1.00 0.00 H new ATOM 1408 N GLY A 91 12.234 -14.001 -12.984 1.00 0.00 N ATOM 1409 CA GLY A 91 13.449 -14.634 -12.401 1.00 0.00 C ATOM 1410 C GLY A 91 14.016 -13.818 -11.234 1.00 0.00 C ATOM 1411 O GLY A 91 13.515 -13.894 -10.130 1.00 0.01 O ATOM 0 H GLY A 91 11.930 -13.132 -12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.205 -15.639 -12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.210 -14.739 -13.174 1.00 0.00 H new ATOM 1415 N GLN A 92 15.066 -13.058 -11.452 1.00 1.80 N ATOM 1416 CA GLN A 92 15.678 -12.259 -10.334 1.00 2.31 C ATOM 1417 C GLN A 92 15.665 -10.766 -10.671 1.00 1.91 C ATOM 1418 O GLN A 92 16.241 -10.322 -11.644 1.00 2.31 O ATOM 1419 CB GLN A 92 17.116 -12.739 -10.116 1.00 2.11 C ATOM 1420 CG GLN A 92 17.659 -12.149 -8.813 1.00 2.86 C ATOM 1421 CD GLN A 92 17.036 -12.878 -7.621 1.00 3.70 C ATOM 1422 OE1 GLN A 92 16.016 -12.464 -7.105 1.00 3.99 O ATOM 1423 NE2 GLN A 92 17.609 -13.956 -7.160 1.00 4.43 N ATOM 0 H GLN A 92 15.527 -12.955 -12.356 1.00 1.80 H new ATOM 0 HA GLN A 92 15.097 -12.404 -9.423 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.145 -13.828 -10.074 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.743 -12.435 -10.954 1.00 2.11 H new ATOM 0 HG2 GLN A 92 18.744 -12.244 -8.783 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.431 -11.084 -8.761 1.00 2.86 H new ATOM 0 HE21 GLN A 92 18.465 -14.304 -7.593 1.00 4.43 H new ATOM 0 HE22 GLN A 92 17.201 -14.451 -6.367 1.00 4.43 H new ATOM 1432 N ALA A 93 14.993 -9.999 -9.854 1.00 0.01 N ATOM 1433 CA ALA A 93 14.921 -8.530 -10.106 1.00 0.01 C ATOM 1434 C ALA A 93 16.232 -7.872 -9.656 1.00 0.01 C ATOM 1435 O ALA A 93 16.699 -8.088 -8.557 1.00 0.01 O ATOM 1436 CB ALA A 93 13.758 -7.929 -9.315 1.00 2.99 C ATOM 0 H ALA A 93 14.493 -10.324 -9.027 1.00 0.01 H new ATOM 0 HA ALA A 93 14.766 -8.353 -11.170 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.708 -6.856 -9.501 1.00 2.99 H new ATOM 0 HB2 ALA A 93 12.825 -8.396 -9.629 1.00 2.99 H new ATOM 0 HB3 ALA A 93 13.912 -8.106 -8.251 1.00 2.99 H new ATOM 1442 N LYS A 94 16.828 -7.078 -10.510 1.00 0.00 N ATOM 1443 CA LYS A 94 18.120 -6.398 -10.165 1.00 0.01 C ATOM 1444 C LYS A 94 18.000 -4.901 -10.476 1.00 0.01 C ATOM 1445 O LYS A 94 17.406 -4.518 -11.465 1.00 0.01 O ATOM 1446 CB LYS A 94 19.225 -7.020 -11.021 1.00 2.49 C ATOM 1447 CG LYS A 94 20.593 -6.595 -10.487 1.00 3.43 C ATOM 1448 CD LYS A 94 21.671 -6.919 -11.526 1.00 4.11 C ATOM 1449 CE LYS A 94 21.573 -8.391 -11.935 1.00 5.23 C ATOM 1450 NZ LYS A 94 22.844 -8.810 -12.592 1.00 6.36 N ATOM 0 H LYS A 94 16.472 -6.868 -11.443 1.00 0.00 H new ATOM 0 HA LYS A 94 18.352 -6.522 -9.107 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.140 -8.107 -11.007 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.115 -6.705 -12.059 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.594 -5.527 -10.268 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.807 -7.113 -9.552 1.00 3.43 H new ATOM 0 HD2 LYS A 94 21.549 -6.280 -12.401 1.00 4.11 H new ATOM 0 HD3 LYS A 94 22.659 -6.711 -11.115 1.00 4.11 H new ATOM 0 HE2 LYS A 94 21.382 -9.011 -11.059 1.00 5.23 H new ATOM 0 HE3 LYS A 94 20.734 -8.535 -12.616 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 22.778 -9.810 -12.870 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 23.007 -8.226 -13.437 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 23.635 -8.687 -11.928 1.00 6.36 H new ATOM 1464 N ILE A 95 18.548 -4.050 -9.633 1.00 0.00 N ATOM 1465 CA ILE A 95 18.453 -2.569 -9.877 1.00 0.01 C ATOM 1466 C ILE A 95 19.840 -1.927 -9.774 1.00 0.01 C ATOM 1467 O ILE A 95 20.667 -2.317 -8.970 1.00 0.01 O ATOM 1468 CB ILE A 95 17.514 -1.946 -8.835 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.563 -0.418 -8.939 1.00 0.30 C ATOM 1470 CG2 ILE A 95 17.945 -2.371 -7.430 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.397 0.185 -8.155 1.00 1.09 C ATOM 0 H ILE A 95 19.055 -4.316 -8.789 1.00 0.00 H new ATOM 0 HA ILE A 95 18.060 -2.393 -10.878 1.00 0.01 H new ATOM 0 HB ILE A 95 16.497 -2.290 -9.024 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.510 -0.046 -8.546 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.509 -0.112 -9.984 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.275 -1.926 -6.694 1.00 0.36 H new ATOM 0 HG22 ILE A 95 17.903 -3.457 -7.349 1.00 0.36 H new ATOM 0 HG23 ILE A 95 18.964 -2.033 -7.244 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.432 1.272 -8.229 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.455 -0.177 -8.568 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.471 -0.110 -7.108 1.00 1.09 H new ATOM 1483 N GLN A 96 20.073 -0.903 -10.564 1.00 0.01 N ATOM 1484 CA GLN A 96 21.373 -0.157 -10.516 1.00 0.01 C ATOM 1485 C GLN A 96 21.053 1.310 -10.214 1.00 0.01 C ATOM 1486 O GLN A 96 20.165 1.879 -10.817 1.00 0.00 O ATOM 1487 CB GLN A 96 22.107 -0.277 -11.857 1.00 0.53 C ATOM 1488 CG GLN A 96 21.111 -0.151 -13.007 1.00 0.82 C ATOM 1489 CD GLN A 96 21.871 0.048 -14.320 1.00 1.25 C ATOM 1490 OE1 GLN A 96 21.864 1.125 -14.881 1.00 1.75 O ATOM 1491 NE2 GLN A 96 22.531 -0.951 -14.838 1.00 2.05 N ATOM 0 H GLN A 96 19.407 -0.548 -11.250 1.00 0.01 H new ATOM 0 HA GLN A 96 22.022 -0.572 -9.745 1.00 0.01 H new ATOM 0 HB2 GLN A 96 22.867 0.500 -11.936 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.623 -1.235 -11.915 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.491 -1.046 -13.065 1.00 0.82 H new ATOM 0 HG3 GLN A 96 20.441 0.690 -12.831 1.00 0.82 H new ATOM 0 HE21 GLN A 96 22.538 -1.856 -14.368 1.00 2.05 H new ATOM 0 HE22 GLN A 96 23.040 -0.827 -15.713 1.00 2.05 H new ATOM 1500 N VAL A 97 21.755 1.941 -9.299 1.00 0.01 N ATOM 1501 CA VAL A 97 21.467 3.382 -8.976 1.00 0.01 C ATOM 1502 C VAL A 97 22.735 4.218 -9.158 1.00 0.01 C ATOM 1503 O VAL A 97 23.837 3.755 -8.932 1.00 0.01 O ATOM 1504 CB VAL A 97 20.986 3.494 -7.528 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.784 2.573 -7.313 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.117 3.087 -6.581 1.00 1.03 C ATOM 0 H VAL A 97 22.514 1.523 -8.762 1.00 0.01 H new ATOM 0 HA VAL A 97 20.693 3.753 -9.648 1.00 0.01 H new ATOM 0 HB VAL A 97 20.693 4.524 -7.323 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.443 2.655 -6.281 1.00 1.10 H new ATOM 0 HG12 VAL A 97 18.977 2.865 -7.986 1.00 1.10 H new ATOM 0 HG13 VAL A 97 20.074 1.543 -7.519 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.774 3.167 -5.549 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.411 2.058 -6.787 1.00 1.03 H new ATOM 0 HG23 VAL A 97 22.972 3.746 -6.731 1.00 1.03 H new ATOM 1516 N PHE A 98 22.577 5.448 -9.597 1.00 0.01 N ATOM 1517 CA PHE A 98 23.764 6.337 -9.841 1.00 0.01 C ATOM 1518 C PHE A 98 23.700 7.597 -8.970 1.00 0.01 C ATOM 1519 O PHE A 98 22.650 8.157 -8.723 1.00 0.01 O ATOM 1520 CB PHE A 98 23.785 6.741 -11.316 1.00 0.25 C ATOM 1521 CG PHE A 98 23.940 5.501 -12.168 1.00 0.36 C ATOM 1522 CD1 PHE A 98 22.855 4.632 -12.339 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.166 5.221 -12.786 1.00 0.58 C ATOM 1524 CE1 PHE A 98 22.996 3.485 -13.128 1.00 0.56 C ATOM 1525 CE2 PHE A 98 25.305 4.074 -13.575 1.00 0.73 C ATOM 1526 CZ PHE A 98 24.221 3.205 -13.746 1.00 0.69 C ATOM 0 H PHE A 98 21.673 5.876 -9.798 1.00 0.01 H new ATOM 0 HA PHE A 98 24.670 5.789 -9.582 1.00 0.01 H new ATOM 0 HB2 PHE A 98 22.864 7.263 -11.576 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.607 7.432 -11.505 1.00 0.25 H new ATOM 0 HD1 PHE A 98 21.910 4.847 -11.862 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.003 5.890 -12.653 1.00 0.58 H new ATOM 0 HE1 PHE A 98 22.159 2.815 -13.260 1.00 0.56 H new ATOM 0 HE2 PHE A 98 26.249 3.859 -14.053 1.00 0.73 H new ATOM 0 HZ PHE A 98 24.329 2.319 -14.354 1.00 0.69 H new ATOM 1536 N GLU A 99 24.838 8.014 -8.480 1.00 0.01 N ATOM 1537 CA GLU A 99 24.897 9.209 -7.586 1.00 0.01 C ATOM 1538 C GLU A 99 24.543 10.500 -8.337 1.00 0.01 C ATOM 1539 O GLU A 99 24.010 11.421 -7.750 1.00 0.01 O ATOM 1540 CB GLU A 99 26.308 9.339 -7.007 1.00 0.01 C ATOM 1541 CG GLU A 99 26.311 10.395 -5.901 1.00 0.01 C ATOM 1542 CD GLU A 99 27.681 10.418 -5.220 1.00 0.01 C ATOM 1543 OE1 GLU A 99 28.564 9.717 -5.686 1.00 0.02 O ATOM 1544 OE2 GLU A 99 27.825 11.137 -4.244 1.00 0.01 O ATOM 0 H GLU A 99 25.739 7.573 -8.663 1.00 0.01 H new ATOM 0 HA GLU A 99 24.166 9.068 -6.790 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.639 8.380 -6.609 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.010 9.618 -7.792 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.085 11.376 -6.320 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.533 10.173 -5.170 1.00 0.01 H new ATOM 1551 N LYS A 100 24.836 10.593 -9.619 1.00 0.01 N ATOM 1552 CA LYS A 100 24.514 11.851 -10.382 1.00 0.01 C ATOM 1553 C LYS A 100 23.479 11.565 -11.473 1.00 0.01 C ATOM 1554 O LYS A 100 23.191 10.428 -11.801 1.00 0.01 O ATOM 1555 CB LYS A 100 25.782 12.408 -11.031 1.00 0.94 C ATOM 1556 CG LYS A 100 26.836 12.675 -9.954 1.00 1.63 C ATOM 1557 CD LYS A 100 28.197 12.893 -10.617 1.00 2.19 C ATOM 1558 CE LYS A 100 29.260 13.123 -9.543 1.00 2.84 C ATOM 1559 NZ LYS A 100 30.509 13.621 -10.184 1.00 3.18 N ATOM 0 H LYS A 100 25.281 9.857 -10.167 1.00 0.01 H new ATOM 0 HA LYS A 100 24.107 12.581 -9.682 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.168 11.700 -11.764 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.554 13.329 -11.567 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.560 13.552 -9.369 1.00 1.63 H new ATOM 0 HG3 LYS A 100 26.887 11.834 -9.263 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.460 12.027 -11.224 1.00 2.19 H new ATOM 0 HD3 LYS A 100 28.153 13.751 -11.288 1.00 2.19 H new ATOM 0 HE2 LYS A 100 28.902 13.845 -8.809 1.00 2.84 H new ATOM 0 HE3 LYS A 100 29.458 12.195 -9.007 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 31.234 13.778 -9.455 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 30.853 12.917 -10.868 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 30.313 14.516 -10.677 1.00 3.18 H new ATOM 1573 N GLY A 101 22.927 12.607 -12.036 1.00 0.01 N ATOM 1574 CA GLY A 101 21.897 12.448 -13.103 1.00 0.01 C ATOM 1575 C GLY A 101 22.507 11.841 -14.368 1.00 0.00 C ATOM 1576 O GLY A 101 23.706 11.821 -14.559 1.00 0.01 O ATOM 0 H GLY A 101 23.149 13.574 -11.798 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.090 11.810 -12.742 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.457 13.418 -13.336 1.00 0.01 H new ATOM 1580 N ASP A 102 21.659 11.362 -15.240 1.00 0.01 N ATOM 1581 CA ASP A 102 22.124 10.764 -16.523 1.00 0.00 C ATOM 1582 C ASP A 102 23.104 9.618 -16.268 1.00 0.00 C ATOM 1583 O ASP A 102 24.062 9.425 -16.991 1.00 0.01 O ATOM 1584 CB ASP A 102 22.802 11.842 -17.372 1.00 0.01 C ATOM 1585 CG ASP A 102 23.010 11.317 -18.793 1.00 0.01 C ATOM 1586 OD1 ASP A 102 22.048 11.297 -19.542 1.00 0.01 O ATOM 1587 OD2 ASP A 102 24.128 10.943 -19.107 1.00 0.01 O ATOM 0 H ASP A 102 20.647 11.361 -15.113 1.00 0.01 H new ATOM 0 HA ASP A 102 21.259 10.365 -17.053 1.00 0.00 H new ATOM 0 HB2 ASP A 102 22.189 12.743 -17.392 1.00 0.01 H new ATOM 0 HB3 ASP A 102 23.760 12.118 -16.931 1.00 0.01 H new ATOM 1592 N PHE A 103 22.839 8.832 -15.260 1.00 0.01 N ATOM 1593 CA PHE A 103 23.709 7.662 -14.959 1.00 0.01 C ATOM 1594 C PHE A 103 25.177 8.079 -14.860 1.00 0.00 C ATOM 1595 O PHE A 103 26.028 7.534 -15.535 1.00 0.01 O ATOM 1596 CB PHE A 103 23.549 6.623 -16.071 1.00 0.01 C ATOM 1597 CG PHE A 103 22.088 6.490 -16.431 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.233 5.732 -15.620 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.586 7.123 -17.574 1.00 0.01 C ATOM 1600 CE1 PHE A 103 19.878 5.609 -15.952 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.231 7.001 -17.907 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.378 6.243 -17.095 1.00 0.01 C ATOM 0 H PHE A 103 22.049 8.953 -14.627 1.00 0.01 H new ATOM 0 HA PHE A 103 23.408 7.241 -14.000 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.125 6.921 -16.947 1.00 0.01 H new ATOM 0 HB3 PHE A 103 23.943 5.661 -15.743 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.619 5.242 -14.738 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.245 7.706 -18.200 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.219 5.025 -15.326 1.00 0.01 H new ATOM 0 HE2 PHE A 103 19.845 7.491 -18.789 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.333 6.148 -17.351 1.00 0.01 H new ATOM 1612 N ASN A 104 25.485 9.025 -14.006 1.00 0.00 N ATOM 1613 CA ASN A 104 26.907 9.468 -13.831 1.00 0.01 C ATOM 1614 C ASN A 104 27.236 9.447 -12.339 1.00 0.01 C ATOM 1615 O ASN A 104 26.355 9.354 -11.507 1.00 0.01 O ATOM 1616 CB ASN A 104 27.079 10.892 -14.372 1.00 1.68 C ATOM 1617 CG ASN A 104 27.157 10.852 -15.899 1.00 2.31 C ATOM 1618 OD1 ASN A 104 27.224 9.791 -16.488 1.00 3.15 O ATOM 1619 ND2 ASN A 104 27.153 11.971 -16.570 1.00 2.38 N ATOM 0 H ASN A 104 24.809 9.513 -13.418 1.00 0.00 H new ATOM 0 HA ASN A 104 27.575 8.801 -14.376 1.00 0.01 H new ATOM 0 HB2 ASN A 104 26.243 11.516 -14.056 1.00 1.68 H new ATOM 0 HB3 ASN A 104 27.984 11.341 -13.963 1.00 1.68 H new ATOM 0 HD21 ASN A 104 27.206 11.955 -17.588 1.00 2.38 H new ATOM 0 HD22 ASN A 104 27.097 12.862 -16.076 1.00 2.38 H new ATOM 1626 N GLY A 105 28.492 9.521 -11.981 1.00 0.01 N ATOM 1627 CA GLY A 105 28.856 9.497 -10.532 1.00 0.01 C ATOM 1628 C GLY A 105 29.135 8.057 -10.105 1.00 0.01 C ATOM 1629 O GLY A 105 29.323 7.186 -10.931 1.00 0.01 O ATOM 0 H GLY A 105 29.279 9.597 -12.626 1.00 0.01 H new ATOM 0 HA2 GLY A 105 29.735 10.117 -10.356 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.046 9.915 -9.935 1.00 0.01 H new ATOM 1633 N GLN A 106 29.145 7.785 -8.829 1.00 0.01 N ATOM 1634 CA GLN A 106 29.391 6.391 -8.372 1.00 0.01 C ATOM 1635 C GLN A 106 28.117 5.573 -8.603 1.00 0.01 C ATOM 1636 O GLN A 106 27.016 6.066 -8.462 1.00 0.01 O ATOM 1637 CB GLN A 106 29.747 6.404 -6.876 1.00 0.01 C ATOM 1638 CG GLN A 106 30.518 5.130 -6.507 1.00 0.01 C ATOM 1639 CD GLN A 106 29.615 3.909 -6.695 1.00 0.01 C ATOM 1640 OE1 GLN A 106 28.416 3.994 -6.527 1.00 0.01 O ATOM 1641 NE2 GLN A 106 30.147 2.767 -7.036 1.00 0.01 N ATOM 0 H GLN A 106 28.994 8.467 -8.086 1.00 0.01 H new ATOM 0 HA GLN A 106 30.217 5.947 -8.927 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.349 7.283 -6.645 1.00 0.01 H new ATOM 0 HB3 GLN A 106 28.838 6.474 -6.278 1.00 0.01 H new ATOM 0 HG2 GLN A 106 31.406 5.037 -7.132 1.00 0.01 H new ATOM 0 HG3 GLN A 106 30.859 5.186 -5.473 1.00 0.01 H new ATOM 0 HE21 GLN A 106 31.155 2.696 -7.177 1.00 0.01 H new ATOM 0 HE22 GLN A 106 29.555 1.946 -7.161 1.00 0.01 H new ATOM 1650 N MET A 107 28.273 4.328 -8.974 1.00 0.01 N ATOM 1651 CA MET A 107 27.089 3.449 -9.237 1.00 0.01 C ATOM 1652 C MET A 107 27.070 2.295 -8.237 1.00 0.01 C ATOM 1653 O MET A 107 28.093 1.739 -7.890 1.00 0.01 O ATOM 1654 CB MET A 107 27.187 2.874 -10.653 1.00 0.00 C ATOM 1655 CG MET A 107 25.862 2.208 -11.027 1.00 0.01 C ATOM 1656 SD MET A 107 26.080 1.240 -12.541 1.00 0.01 S ATOM 1657 CE MET A 107 26.605 -0.300 -11.751 1.00 0.01 C ATOM 0 H MET A 107 29.178 3.877 -9.108 1.00 0.01 H new ATOM 0 HA MET A 107 26.178 4.038 -9.135 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.421 3.667 -11.363 1.00 0.00 H new ATOM 0 HB3 MET A 107 27.999 2.148 -10.707 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.525 1.563 -10.216 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.091 2.964 -11.174 1.00 0.01 H new ATOM 0 HE1 MET A 107 26.798 -1.053 -12.515 1.00 0.01 H new ATOM 0 HE2 MET A 107 27.515 -0.123 -11.178 1.00 0.01 H new ATOM 0 HE3 MET A 107 25.819 -0.653 -11.084 1.00 0.01 H new ATOM 1667 N TYR A 108 25.898 1.918 -7.794 1.00 0.01 N ATOM 1668 CA TYR A 108 25.756 0.782 -6.833 1.00 0.00 C ATOM 1669 C TYR A 108 24.664 -0.155 -7.358 1.00 0.01 C ATOM 1670 O TYR A 108 23.634 0.278 -7.837 1.00 0.01 O ATOM 1671 CB TYR A 108 25.351 1.314 -5.456 1.00 0.54 C ATOM 1672 CG TYR A 108 26.552 1.931 -4.777 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.581 1.109 -4.301 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.638 3.320 -4.623 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.694 1.677 -3.670 1.00 1.76 C ATOM 1676 CE2 TYR A 108 27.751 3.888 -3.993 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.780 3.066 -3.516 1.00 1.82 C ATOM 1678 OH TYR A 108 29.877 3.625 -2.892 1.00 2.48 O ATOM 0 H TYR A 108 25.018 2.357 -8.063 1.00 0.01 H new ATOM 0 HA TYR A 108 26.703 0.250 -6.741 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.559 2.055 -5.560 1.00 0.54 H new ATOM 0 HB3 TYR A 108 24.952 0.504 -4.845 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.516 0.038 -4.421 1.00 1.24 H new ATOM 0 HD2 TYR A 108 25.845 3.954 -4.991 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.487 1.043 -3.302 1.00 1.76 H new ATOM 0 HE2 TYR A 108 27.817 4.959 -3.875 1.00 1.51 H new ATOM 0 HH TYR A 108 29.779 4.600 -2.869 1.00 2.48 H new ATOM 1688 N GLU A 109 24.906 -1.439 -7.302 1.00 0.01 N ATOM 1689 CA GLU A 109 23.921 -2.441 -7.825 1.00 0.01 C ATOM 1690 C GLU A 109 23.438 -3.340 -6.688 1.00 0.01 C ATOM 1691 O GLU A 109 24.222 -3.826 -5.897 1.00 0.01 O ATOM 1692 CB GLU A 109 24.634 -3.277 -8.892 1.00 0.01 C ATOM 1693 CG GLU A 109 23.604 -4.042 -9.727 1.00 0.01 C ATOM 1694 CD GLU A 109 24.312 -4.735 -10.893 1.00 0.00 C ATOM 1695 OE1 GLU A 109 24.981 -5.726 -10.650 1.00 0.00 O ATOM 1696 OE2 GLU A 109 24.174 -4.263 -12.010 1.00 0.00 O ATOM 0 H GLU A 109 25.756 -1.844 -6.911 1.00 0.01 H new ATOM 0 HA GLU A 109 23.053 -1.939 -8.252 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.229 -2.630 -9.536 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.323 -3.976 -8.418 1.00 0.01 H new ATOM 0 HG2 GLU A 109 23.092 -4.779 -9.108 1.00 0.01 H new ATOM 0 HG3 GLU A 109 22.843 -3.358 -10.103 1.00 0.01 H new ATOM 1703 N THR A 110 22.146 -3.564 -6.587 1.00 0.01 N ATOM 1704 CA THR A 110 21.632 -4.431 -5.484 1.00 0.00 C ATOM 1705 C THR A 110 20.371 -5.192 -5.917 1.00 0.01 C ATOM 1706 O THR A 110 19.583 -4.740 -6.732 1.00 0.01 O ATOM 1707 CB THR A 110 21.296 -3.571 -4.263 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.753 -4.394 -3.240 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.276 -2.501 -4.655 1.00 1.69 C ATOM 0 H THR A 110 21.436 -3.187 -7.215 1.00 0.01 H new ATOM 0 HA THR A 110 22.410 -5.153 -5.235 1.00 0.00 H new ATOM 0 HB THR A 110 22.203 -3.089 -3.898 1.00 1.21 H new ATOM 0 HG1 THR A 110 21.140 -5.292 -3.303 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.038 -1.889 -3.785 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.694 -1.869 -5.439 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.368 -2.980 -5.021 1.00 1.69 H new ATOM 1717 N THR A 111 20.203 -6.363 -5.358 1.00 0.00 N ATOM 1718 CA THR A 111 19.025 -7.228 -5.680 1.00 0.01 C ATOM 1719 C THR A 111 18.075 -7.297 -4.475 1.00 0.01 C ATOM 1720 O THR A 111 17.175 -8.112 -4.442 1.00 0.01 O ATOM 1721 CB THR A 111 19.516 -8.646 -6.017 1.00 0.01 C ATOM 1722 OG1 THR A 111 19.564 -9.421 -4.827 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.915 -8.582 -6.639 1.00 0.01 C ATOM 0 H THR A 111 20.847 -6.766 -4.677 1.00 0.00 H new ATOM 0 HA THR A 111 18.493 -6.804 -6.531 1.00 0.01 H new ATOM 0 HB THR A 111 18.829 -9.104 -6.729 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.408 -9.250 -4.359 1.00 0.01 H new ATOM 0 HG21 THR A 111 21.255 -9.590 -6.875 1.00 0.01 H new ATOM 0 HG22 THR A 111 20.880 -7.988 -7.552 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.606 -8.122 -5.933 1.00 0.01 H new ATOM 1731 N GLU A 112 18.290 -6.476 -3.469 1.00 0.01 N ATOM 1732 CA GLU A 112 17.419 -6.526 -2.241 1.00 0.01 C ATOM 1733 C GLU A 112 16.731 -5.179 -1.978 1.00 0.01 C ATOM 1734 O GLU A 112 17.132 -4.148 -2.482 1.00 0.01 O ATOM 1735 CB GLU A 112 18.290 -6.876 -1.033 1.00 0.85 C ATOM 1736 CG GLU A 112 19.017 -8.199 -1.289 1.00 1.61 C ATOM 1737 CD GLU A 112 20.159 -7.978 -2.284 1.00 2.51 C ATOM 1738 OE1 GLU A 112 20.495 -6.831 -2.532 1.00 3.07 O ATOM 1739 OE2 GLU A 112 20.681 -8.961 -2.782 1.00 3.21 O ATOM 0 H GLU A 112 19.029 -5.774 -3.444 1.00 0.01 H new ATOM 0 HA GLU A 112 16.647 -7.279 -2.402 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.014 -6.081 -0.851 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.673 -6.956 -0.138 1.00 0.85 H new ATOM 0 HG2 GLU A 112 19.410 -8.596 -0.353 1.00 1.61 H new ATOM 0 HG3 GLU A 112 18.319 -8.939 -1.681 1.00 1.61 H new ATOM 1746 N ASP A 113 15.710 -5.193 -1.158 1.00 0.01 N ATOM 1747 CA ASP A 113 14.990 -3.932 -0.805 1.00 0.01 C ATOM 1748 C ASP A 113 15.936 -3.058 0.019 1.00 0.00 C ATOM 1749 O ASP A 113 16.844 -3.553 0.658 1.00 0.01 O ATOM 1750 CB ASP A 113 13.758 -4.273 0.039 1.00 0.01 C ATOM 1751 CG ASP A 113 14.120 -5.358 1.054 1.00 0.01 C ATOM 1752 OD1 ASP A 113 15.017 -5.124 1.846 1.00 0.00 O ATOM 1753 OD2 ASP A 113 13.494 -6.405 1.021 1.00 0.00 O ATOM 0 H ASP A 113 15.341 -6.034 -0.714 1.00 0.01 H new ATOM 0 HA ASP A 113 14.677 -3.408 -1.708 1.00 0.01 H new ATOM 0 HB2 ASP A 113 13.400 -3.382 0.555 1.00 0.01 H new ATOM 0 HB3 ASP A 113 12.948 -4.617 -0.604 1.00 0.01 H new ATOM 1758 N CYS A 114 15.713 -1.761 0.035 1.00 0.01 N ATOM 1759 CA CYS A 114 16.580 -0.846 0.851 1.00 0.01 C ATOM 1760 C CYS A 114 15.687 -0.022 1.805 1.00 0.01 C ATOM 1761 O CYS A 114 14.940 0.825 1.344 1.00 0.01 O ATOM 1762 CB CYS A 114 17.302 0.120 -0.087 1.00 0.01 C ATOM 1763 SG CYS A 114 18.333 1.245 0.886 1.00 0.01 S ATOM 0 H CYS A 114 14.967 -1.297 -0.483 1.00 0.01 H new ATOM 0 HA CYS A 114 17.301 -1.433 1.421 1.00 0.01 H new ATOM 0 HB2 CYS A 114 17.918 -0.435 -0.795 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.577 0.687 -0.671 1.00 0.01 H new ATOM 0 HG CYS A 114 19.575 0.869 0.812 1.00 0.01 H new ATOM 1769 N PRO A 115 15.754 -0.220 3.116 1.00 0.01 N ATOM 1770 CA PRO A 115 14.914 0.590 4.047 1.00 0.01 C ATOM 1771 C PRO A 115 15.481 2.006 4.230 1.00 0.01 C ATOM 1772 O PRO A 115 14.744 2.956 4.416 1.00 0.01 O ATOM 1773 CB PRO A 115 14.991 -0.223 5.348 1.00 0.01 C ATOM 1774 CG PRO A 115 16.210 -1.158 5.246 1.00 0.01 C ATOM 1775 CD PRO A 115 16.631 -1.242 3.765 1.00 0.01 C ATOM 0 HA PRO A 115 13.895 0.746 3.692 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.089 0.440 6.208 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.078 -0.800 5.493 1.00 0.01 H new ATOM 0 HG2 PRO A 115 17.032 -0.779 5.854 1.00 0.01 H new ATOM 0 HG3 PRO A 115 15.962 -2.149 5.627 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.688 -1.012 3.631 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.466 -2.238 3.353 1.00 0.01 H new ATOM 1783 N SER A 116 16.783 2.154 4.188 1.00 0.01 N ATOM 1784 CA SER A 116 17.401 3.504 4.361 1.00 0.02 C ATOM 1785 C SER A 116 18.579 3.629 3.392 1.00 0.01 C ATOM 1786 O SER A 116 19.615 3.011 3.558 1.00 0.00 O ATOM 1787 CB SER A 116 17.893 3.658 5.800 1.00 0.01 C ATOM 1788 OG SER A 116 16.830 3.359 6.695 1.00 0.01 O ATOM 0 H SER A 116 17.446 1.393 4.041 1.00 0.01 H new ATOM 0 HA SER A 116 16.668 4.283 4.153 1.00 0.02 H new ATOM 0 HB2 SER A 116 18.735 2.990 5.982 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.250 4.674 5.968 1.00 0.01 H new ATOM 0 HG SER A 116 17.143 3.455 7.619 1.00 0.01 H new ATOM 1794 N ILE A 117 18.400 4.408 2.362 1.00 0.01 N ATOM 1795 CA ILE A 117 19.465 4.575 1.336 1.00 0.01 C ATOM 1796 C ILE A 117 20.700 5.250 1.932 1.00 0.01 C ATOM 1797 O ILE A 117 21.814 4.913 1.587 1.00 0.00 O ATOM 1798 CB ILE A 117 18.908 5.415 0.182 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.894 4.573 -0.593 1.00 1.44 C ATOM 1800 CG2 ILE A 117 20.037 5.841 -0.761 1.00 0.93 C ATOM 1801 CD1 ILE A 117 17.118 5.468 -1.553 1.00 1.83 C ATOM 0 H ILE A 117 17.549 4.943 2.186 1.00 0.01 H new ATOM 0 HA ILE A 117 19.768 3.594 0.971 1.00 0.01 H new ATOM 0 HB ILE A 117 18.431 6.309 0.584 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.406 3.786 -1.146 1.00 1.44 H new ATOM 0 HG13 ILE A 117 17.209 4.082 0.098 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.625 6.437 -1.576 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.767 6.434 -0.210 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.524 4.955 -1.169 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.395 4.868 -2.106 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.594 6.239 -0.988 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.810 5.938 -2.252 1.00 1.83 H new ATOM 1813 N MET A 118 20.526 6.213 2.795 1.00 0.02 N ATOM 1814 CA MET A 118 21.720 6.900 3.356 1.00 0.01 C ATOM 1815 C MET A 118 22.514 5.933 4.232 1.00 0.01 C ATOM 1816 O MET A 118 23.725 5.943 4.230 1.00 0.02 O ATOM 1817 CB MET A 118 21.299 8.119 4.178 1.00 0.24 C ATOM 1818 CG MET A 118 22.527 8.977 4.481 1.00 0.63 C ATOM 1819 SD MET A 118 22.018 10.449 5.406 1.00 1.20 S ATOM 1820 CE MET A 118 22.246 9.764 7.066 1.00 1.34 C ATOM 0 H MET A 118 19.623 6.549 3.131 1.00 0.02 H new ATOM 0 HA MET A 118 22.348 7.235 2.530 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.560 8.703 3.630 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.827 7.799 5.107 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.252 8.403 5.059 1.00 0.63 H new ATOM 0 HG3 MET A 118 23.019 9.269 3.553 1.00 0.63 H new ATOM 0 HE1 MET A 118 21.984 10.517 7.809 1.00 1.34 H new ATOM 0 HE2 MET A 118 21.604 8.892 7.191 1.00 1.34 H new ATOM 0 HE3 MET A 118 23.287 9.470 7.198 1.00 1.34 H new ATOM 1830 N GLU A 119 21.866 5.095 4.981 1.00 0.01 N ATOM 1831 CA GLU A 119 22.631 4.152 5.838 1.00 0.02 C ATOM 1832 C GLU A 119 23.351 3.127 4.962 1.00 0.02 C ATOM 1833 O GLU A 119 24.448 2.699 5.261 1.00 0.01 O ATOM 1834 CB GLU A 119 21.669 3.430 6.781 1.00 0.30 C ATOM 1835 CG GLU A 119 22.467 2.703 7.867 1.00 0.99 C ATOM 1836 CD GLU A 119 21.514 1.888 8.744 1.00 1.69 C ATOM 1837 OE1 GLU A 119 20.605 1.287 8.198 1.00 2.11 O ATOM 1838 OE2 GLU A 119 21.712 1.879 9.948 1.00 2.07 O ATOM 0 H GLU A 119 20.850 5.020 5.039 1.00 0.01 H new ATOM 0 HA GLU A 119 23.366 4.708 6.420 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.984 4.145 7.236 1.00 0.30 H new ATOM 0 HB3 GLU A 119 21.062 2.718 6.223 1.00 0.30 H new ATOM 0 HG2 GLU A 119 23.208 2.047 7.410 1.00 0.99 H new ATOM 0 HG3 GLU A 119 23.012 3.424 8.477 1.00 0.99 H new ATOM 1845 N GLN A 120 22.716 2.691 3.909 1.00 0.00 N ATOM 1846 CA GLN A 120 23.333 1.644 3.043 1.00 0.01 C ATOM 1847 C GLN A 120 24.378 2.224 2.083 1.00 0.01 C ATOM 1848 O GLN A 120 25.440 1.659 1.909 1.00 0.01 O ATOM 1849 CB GLN A 120 22.234 0.962 2.228 1.00 0.52 C ATOM 1850 CG GLN A 120 22.793 -0.308 1.581 1.00 1.07 C ATOM 1851 CD GLN A 120 21.710 -0.959 0.719 1.00 1.08 C ATOM 1852 OE1 GLN A 120 20.604 -0.309 0.484 1.00 0.98 O flip ATOM 1853 NE2 GLN A 120 21.871 -2.069 0.256 1.00 2.08 N flip ATOM 0 H GLN A 120 21.796 3.014 3.610 1.00 0.00 H new ATOM 0 HA GLN A 120 23.840 0.931 3.694 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.390 0.714 2.871 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.861 1.640 1.461 1.00 0.52 H new ATOM 0 HG2 GLN A 120 23.662 -0.065 0.970 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.128 -1.004 2.350 1.00 1.07 H new ATOM 0 HE21 GLN A 120 22.736 -2.578 0.440 1.00 2.08 H new ATOM 0 HE22 GLN A 120 21.141 -2.493 -0.317 1.00 2.08 H new ATOM 1862 N PHE A 121 24.057 3.301 1.404 1.00 0.02 N ATOM 1863 CA PHE A 121 25.004 3.868 0.382 1.00 0.01 C ATOM 1864 C PHE A 121 25.576 5.229 0.792 1.00 0.01 C ATOM 1865 O PHE A 121 26.365 5.810 0.074 1.00 0.01 O ATOM 1866 CB PHE A 121 24.255 4.002 -0.943 1.00 0.01 C ATOM 1867 CG PHE A 121 23.850 2.624 -1.419 1.00 0.01 C ATOM 1868 CD1 PHE A 121 24.828 1.725 -1.860 1.00 0.01 C ATOM 1869 CD2 PHE A 121 22.502 2.243 -1.416 1.00 0.01 C ATOM 1870 CE1 PHE A 121 24.458 0.446 -2.298 1.00 0.01 C ATOM 1871 CE2 PHE A 121 22.133 0.967 -1.854 1.00 0.01 C ATOM 1872 CZ PHE A 121 23.111 0.068 -2.296 1.00 0.01 C ATOM 0 H PHE A 121 23.182 3.813 1.511 1.00 0.02 H new ATOM 0 HA PHE A 121 25.851 3.188 0.291 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.374 4.631 -0.816 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.888 4.487 -1.686 1.00 0.01 H new ATOM 0 HD1 PHE A 121 25.868 2.017 -1.863 1.00 0.01 H new ATOM 0 HD2 PHE A 121 21.747 2.935 -1.075 1.00 0.01 H new ATOM 0 HE1 PHE A 121 25.213 -0.248 -2.637 1.00 0.01 H new ATOM 0 HE2 PHE A 121 21.093 0.675 -1.851 1.00 0.01 H new ATOM 0 HZ PHE A 121 22.826 -0.917 -2.635 1.00 0.01 H new ATOM 1882 N HIS A 122 25.197 5.751 1.927 1.00 0.01 N ATOM 1883 CA HIS A 122 25.731 7.076 2.355 1.00 0.01 C ATOM 1884 C HIS A 122 25.323 8.154 1.342 1.00 0.01 C ATOM 1885 O HIS A 122 26.061 9.086 1.088 1.00 0.02 O ATOM 1886 CB HIS A 122 27.259 6.995 2.463 1.00 0.01 C ATOM 1887 CG HIS A 122 27.651 5.650 3.010 1.00 0.01 C ATOM 1888 ND1 HIS A 122 26.956 5.039 4.042 1.00 0.01 N ATOM 1889 CD2 HIS A 122 28.665 4.787 2.677 1.00 0.01 C ATOM 1890 CE1 HIS A 122 27.555 3.860 4.291 1.00 0.00 C ATOM 1891 NE2 HIS A 122 28.603 3.657 3.487 1.00 0.01 N ATOM 0 H HIS A 122 24.541 5.317 2.576 1.00 0.01 H new ATOM 0 HA HIS A 122 25.318 7.341 3.328 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.712 7.148 1.484 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.631 7.787 3.113 1.00 0.01 H new ATOM 0 HD2 HIS A 122 29.399 4.959 1.904 1.00 0.01 H new ATOM 0 HE1 HIS A 122 27.229 3.163 5.048 1.00 0.00 H new ATOM 0 HE2 HIS A 122 29.224 2.848 3.471 1.00 0.01 H new ATOM 1899 N LEU A 123 24.147 8.032 0.764 1.00 0.01 N ATOM 1900 CA LEU A 123 23.671 9.048 -0.239 1.00 0.01 C ATOM 1901 C LEU A 123 22.459 9.791 0.325 1.00 0.02 C ATOM 1902 O LEU A 123 21.570 9.200 0.905 1.00 0.01 O ATOM 1903 CB LEU A 123 23.268 8.342 -1.537 1.00 0.01 C ATOM 1904 CG LEU A 123 24.393 7.409 -1.992 1.00 0.01 C ATOM 1905 CD1 LEU A 123 23.933 6.632 -3.228 1.00 0.01 C ATOM 1906 CD2 LEU A 123 25.643 8.229 -2.338 1.00 0.01 C ATOM 0 H LEU A 123 23.493 7.270 0.944 1.00 0.01 H new ATOM 0 HA LEU A 123 24.475 9.755 -0.443 1.00 0.01 H new ATOM 0 HB2 LEU A 123 22.351 7.773 -1.382 1.00 0.01 H new ATOM 0 HB3 LEU A 123 23.059 9.079 -2.312 1.00 0.01 H new ATOM 0 HG LEU A 123 24.634 6.714 -1.188 1.00 0.01 H new ATOM 0 HD11 LEU A 123 24.731 5.966 -3.557 1.00 0.01 H new ATOM 0 HD12 LEU A 123 23.049 6.045 -2.980 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.692 7.331 -4.028 1.00 0.01 H new ATOM 0 HD21 LEU A 123 26.440 7.559 -2.661 1.00 0.01 H new ATOM 0 HD22 LEU A 123 25.409 8.928 -3.141 1.00 0.01 H new ATOM 0 HD23 LEU A 123 25.970 8.783 -1.458 1.00 0.01 H new ATOM 1918 N ARG A 124 22.421 11.090 0.173 1.00 0.01 N ATOM 1919 CA ARG A 124 21.273 11.879 0.714 1.00 0.00 C ATOM 1920 C ARG A 124 20.162 12.013 -0.336 1.00 0.01 C ATOM 1921 O ARG A 124 19.020 12.270 -0.009 1.00 0.01 O ATOM 1922 CB ARG A 124 21.760 13.275 1.107 1.00 1.67 C ATOM 1923 CG ARG A 124 22.989 13.154 2.010 1.00 1.98 C ATOM 1924 CD ARG A 124 23.457 14.552 2.421 1.00 2.92 C ATOM 1925 NE ARG A 124 22.433 15.181 3.303 1.00 3.54 N ATOM 1926 CZ ARG A 124 22.739 16.236 4.009 1.00 4.57 C ATOM 1927 NH1 ARG A 124 23.941 16.740 3.942 1.00 5.25 N ATOM 1928 NH2 ARG A 124 21.843 16.789 4.782 1.00 5.32 N ATOM 0 H ARG A 124 23.136 11.639 -0.303 1.00 0.01 H new ATOM 0 HA ARG A 124 20.873 11.359 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.007 13.850 0.214 1.00 1.67 H new ATOM 0 HB3 ARG A 124 20.967 13.815 1.625 1.00 1.67 H new ATOM 0 HG2 ARG A 124 22.747 12.565 2.895 1.00 1.98 H new ATOM 0 HG3 ARG A 124 23.789 12.630 1.486 1.00 1.98 H new ATOM 0 HD2 ARG A 124 24.412 14.488 2.943 1.00 2.92 H new ATOM 0 HD3 ARG A 124 23.618 15.168 1.536 1.00 2.92 H new ATOM 0 HE ARG A 124 21.493 14.787 3.355 1.00 3.54 H new ATOM 0 HH11 ARG A 124 24.641 16.310 3.338 1.00 5.25 H new ATOM 0 HH12 ARG A 124 24.180 17.564 4.493 1.00 5.25 H new ATOM 0 HH21 ARG A 124 20.903 16.397 4.835 1.00 5.32 H new ATOM 0 HH22 ARG A 124 22.083 17.613 5.333 1.00 5.32 H new ATOM 1942 N GLU A 125 20.486 11.864 -1.597 1.00 0.01 N ATOM 1943 CA GLU A 125 19.448 12.009 -2.668 1.00 0.01 C ATOM 1944 C GLU A 125 19.777 11.084 -3.843 1.00 0.01 C ATOM 1945 O GLU A 125 20.886 10.604 -3.973 1.00 0.01 O ATOM 1946 CB GLU A 125 19.437 13.454 -3.170 1.00 0.01 C ATOM 1947 CG GLU A 125 19.148 14.398 -2.002 1.00 0.01 C ATOM 1948 CD GLU A 125 18.872 15.804 -2.537 1.00 0.02 C ATOM 1949 OE1 GLU A 125 17.875 15.972 -3.220 1.00 0.02 O ATOM 1950 OE2 GLU A 125 19.663 16.689 -2.254 1.00 0.01 O ATOM 0 H GLU A 125 21.425 11.648 -1.932 1.00 0.01 H new ATOM 0 HA GLU A 125 18.474 11.745 -2.256 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.398 13.701 -3.621 1.00 0.01 H new ATOM 0 HB3 GLU A 125 18.680 13.575 -3.945 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.290 14.039 -1.434 1.00 0.01 H new ATOM 0 HG3 GLU A 125 19.997 14.418 -1.318 1.00 0.01 H new ATOM 1957 N ILE A 126 18.824 10.849 -4.714 1.00 0.01 N ATOM 1958 CA ILE A 126 19.067 9.974 -5.908 1.00 0.01 C ATOM 1959 C ILE A 126 18.595 10.735 -7.149 1.00 0.01 C ATOM 1960 O ILE A 126 17.481 11.222 -7.185 1.00 0.01 O ATOM 1961 CB ILE A 126 18.246 8.686 -5.771 1.00 1.33 C ATOM 1962 CG1 ILE A 126 18.650 7.934 -4.481 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.474 7.801 -7.001 1.00 2.17 C ATOM 1964 CD1 ILE A 126 19.914 7.083 -4.699 1.00 1.70 C ATOM 0 H ILE A 126 17.880 11.229 -4.649 1.00 0.01 H new ATOM 0 HA ILE A 126 20.124 9.721 -5.986 1.00 0.01 H new ATOM 0 HB ILE A 126 17.187 8.937 -5.706 1.00 1.33 H new ATOM 0 HG12 ILE A 126 18.827 8.652 -3.680 1.00 1.49 H new ATOM 0 HG13 ILE A 126 17.829 7.293 -4.160 1.00 1.49 H new ATOM 0 HG21 ILE A 126 17.891 6.885 -6.904 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.162 8.337 -7.898 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.532 7.550 -7.078 1.00 2.17 H new ATOM 0 HD11 ILE A 126 20.170 6.568 -3.773 1.00 1.70 H new ATOM 0 HD12 ILE A 126 19.728 6.349 -5.483 1.00 1.70 H new ATOM 0 HD13 ILE A 126 20.741 7.729 -4.996 1.00 1.70 H new ATOM 1976 N HIS A 127 19.442 10.893 -8.148 1.00 0.01 N ATOM 1977 CA HIS A 127 19.038 11.688 -9.359 1.00 0.01 C ATOM 1978 C HIS A 127 18.817 10.807 -10.596 1.00 0.01 C ATOM 1979 O HIS A 127 18.223 11.236 -11.565 1.00 0.01 O ATOM 1980 CB HIS A 127 20.127 12.735 -9.657 1.00 0.02 C ATOM 1981 CG HIS A 127 19.563 13.867 -10.478 1.00 0.01 C ATOM 1982 ND1 HIS A 127 19.588 13.859 -11.865 1.00 0.01 N ATOM 1983 CD2 HIS A 127 18.973 15.054 -10.122 1.00 0.01 C ATOM 1984 CE1 HIS A 127 19.030 15.009 -12.288 1.00 0.01 C ATOM 1985 NE2 HIS A 127 18.639 15.774 -11.266 1.00 0.02 N ATOM 0 H HIS A 127 20.387 10.509 -8.176 1.00 0.01 H new ATOM 0 HA HIS A 127 18.087 12.171 -9.137 1.00 0.01 H new ATOM 0 HB2 HIS A 127 20.532 13.123 -8.722 1.00 0.02 H new ATOM 0 HB3 HIS A 127 20.953 12.267 -10.192 1.00 0.02 H new ATOM 0 HD2 HIS A 127 18.795 15.380 -9.108 1.00 0.01 H new ATOM 0 HE1 HIS A 127 18.913 15.280 -13.327 1.00 0.01 H new ATOM 0 HE2 HIS A 127 18.192 16.689 -11.313 1.00 0.02 H new ATOM 1993 N SER A 128 19.252 9.573 -10.570 1.00 0.01 N ATOM 1994 CA SER A 128 19.021 8.678 -11.743 1.00 0.01 C ATOM 1995 C SER A 128 19.158 7.218 -11.294 1.00 0.01 C ATOM 1996 O SER A 128 19.884 6.912 -10.367 1.00 0.01 O ATOM 1997 CB SER A 128 20.054 8.986 -12.830 1.00 0.01 C ATOM 1998 OG SER A 128 19.651 10.149 -13.539 1.00 0.01 O ATOM 0 H SER A 128 19.755 9.148 -9.791 1.00 0.01 H new ATOM 0 HA SER A 128 18.021 8.843 -12.144 1.00 0.01 H new ATOM 0 HB2 SER A 128 21.036 9.140 -12.383 1.00 0.01 H new ATOM 0 HB3 SER A 128 20.144 8.142 -13.513 1.00 0.01 H new ATOM 0 HG SER A 128 18.922 10.590 -13.056 1.00 0.01 H new ATOM 2004 N CYS A 129 18.471 6.315 -11.947 1.00 0.01 N ATOM 2005 CA CYS A 129 18.556 4.876 -11.562 1.00 0.01 C ATOM 2006 C CYS A 129 17.917 4.026 -12.662 1.00 0.00 C ATOM 2007 O CYS A 129 16.974 4.450 -13.300 1.00 0.01 O ATOM 2008 CB CYS A 129 17.818 4.648 -10.239 1.00 0.69 C ATOM 2009 SG CYS A 129 16.121 5.260 -10.384 1.00 1.22 S ATOM 0 H CYS A 129 17.853 6.515 -12.733 1.00 0.01 H new ATOM 0 HA CYS A 129 19.601 4.592 -11.438 1.00 0.01 H new ATOM 0 HB2 CYS A 129 17.814 3.587 -9.991 1.00 0.69 H new ATOM 0 HB3 CYS A 129 18.334 5.163 -9.429 1.00 0.69 H new ATOM 0 HG CYS A 129 16.126 6.417 -10.976 1.00 1.22 H new ATOM 2015 N LYS A 130 18.428 2.834 -12.905 1.00 0.01 N ATOM 2016 CA LYS A 130 17.847 1.967 -13.987 1.00 0.01 C ATOM 2017 C LYS A 130 17.484 0.582 -13.423 1.00 0.01 C ATOM 2018 O LYS A 130 18.332 -0.221 -13.083 1.00 0.01 O ATOM 2019 CB LYS A 130 18.887 1.820 -15.119 1.00 0.55 C ATOM 2020 CG LYS A 130 18.182 1.672 -16.476 1.00 0.80 C ATOM 2021 CD LYS A 130 17.266 0.449 -16.450 1.00 0.29 C ATOM 2022 CE LYS A 130 16.774 0.151 -17.870 1.00 0.33 C ATOM 2023 NZ LYS A 130 16.569 1.433 -18.602 1.00 1.41 N ATOM 0 H LYS A 130 19.218 2.428 -12.403 1.00 0.01 H new ATOM 0 HA LYS A 130 16.939 2.428 -14.376 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.542 2.691 -15.135 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.517 0.950 -14.932 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.602 2.568 -16.695 1.00 0.80 H new ATOM 0 HG3 LYS A 130 18.921 1.568 -17.271 1.00 0.80 H new ATOM 0 HD2 LYS A 130 17.802 -0.412 -16.051 1.00 0.29 H new ATOM 0 HD3 LYS A 130 16.418 0.630 -15.790 1.00 0.29 H new ATOM 0 HE2 LYS A 130 17.500 -0.469 -18.396 1.00 0.33 H new ATOM 0 HE3 LYS A 130 15.842 -0.413 -17.833 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 16.171 1.236 -19.542 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 15.912 2.037 -18.067 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 17.481 1.922 -18.708 1.00 1.41 H new ATOM 2037 N VAL A 131 16.210 0.312 -13.346 1.00 0.01 N ATOM 2038 CA VAL A 131 15.702 -1.003 -12.843 1.00 0.01 C ATOM 2039 C VAL A 131 15.039 -1.732 -14.011 1.00 0.01 C ATOM 2040 O VAL A 131 14.289 -1.133 -14.755 1.00 0.01 O ATOM 2041 CB VAL A 131 14.676 -0.777 -11.730 1.00 0.01 C ATOM 2042 CG1 VAL A 131 13.460 -0.032 -12.283 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.227 -2.130 -11.178 1.00 0.01 C ATOM 0 H VAL A 131 15.476 0.966 -13.618 1.00 0.01 H new ATOM 0 HA VAL A 131 16.525 -1.594 -12.441 1.00 0.01 H new ATOM 0 HB VAL A 131 15.132 -0.183 -10.938 1.00 0.01 H new ATOM 0 HG11 VAL A 131 12.735 0.125 -11.484 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.775 0.932 -12.682 1.00 0.01 H new ATOM 0 HG13 VAL A 131 13.003 -0.621 -13.078 1.00 0.01 H new ATOM 0 HG21 VAL A 131 13.496 -1.975 -10.385 1.00 0.01 H new ATOM 0 HG22 VAL A 131 13.776 -2.717 -11.978 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.089 -2.664 -10.778 1.00 0.01 H new ATOM 2053 N VAL A 132 15.254 -3.020 -14.167 1.00 0.01 N ATOM 2054 CA VAL A 132 14.576 -3.771 -15.254 1.00 0.01 C ATOM 2055 C VAL A 132 13.918 -4.982 -14.607 1.00 0.00 C ATOM 2056 O VAL A 132 14.492 -6.043 -14.459 1.00 0.01 O ATOM 2057 CB VAL A 132 15.610 -4.233 -16.286 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.956 -5.207 -17.270 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.146 -3.018 -17.050 1.00 1.98 C ATOM 0 H VAL A 132 15.875 -3.578 -13.581 1.00 0.01 H new ATOM 0 HA VAL A 132 13.840 -3.149 -15.763 1.00 0.01 H new ATOM 0 HB VAL A 132 16.432 -4.734 -15.775 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.694 -5.534 -18.003 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.576 -6.072 -16.727 1.00 1.00 H new ATOM 0 HG13 VAL A 132 14.132 -4.709 -17.782 1.00 1.00 H new ATOM 0 HG21 VAL A 132 16.882 -3.346 -17.784 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.323 -2.517 -17.559 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.615 -2.326 -16.350 1.00 1.98 H new ATOM 2069 N GLU A 133 12.691 -4.805 -14.271 1.00 0.01 N ATOM 2070 CA GLU A 133 11.859 -5.884 -13.668 1.00 0.01 C ATOM 2071 C GLU A 133 10.441 -5.648 -14.175 1.00 0.01 C ATOM 2072 O GLU A 133 9.962 -6.316 -15.070 1.00 0.01 O ATOM 2073 CB GLU A 133 11.896 -5.788 -12.139 1.00 0.00 C ATOM 2074 CG GLU A 133 11.063 -6.920 -11.524 1.00 0.00 C ATOM 2075 CD GLU A 133 9.573 -6.577 -11.610 1.00 0.00 C ATOM 2076 OE1 GLU A 133 9.232 -5.436 -11.344 1.00 0.00 O ATOM 2077 OE2 GLU A 133 8.800 -7.460 -11.943 1.00 0.00 O ATOM 0 H GLU A 133 12.198 -3.920 -14.391 1.00 0.01 H new ATOM 0 HA GLU A 133 12.224 -6.874 -13.942 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.926 -5.850 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.507 -4.822 -11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.261 -7.855 -12.048 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.351 -7.071 -10.484 1.00 0.00 H new ATOM 2084 N GLY A 134 9.770 -4.695 -13.596 1.00 0.01 N ATOM 2085 CA GLY A 134 8.379 -4.383 -14.011 1.00 0.01 C ATOM 2086 C GLY A 134 7.892 -3.190 -13.193 1.00 0.01 C ATOM 2087 O GLY A 134 7.906 -2.066 -13.654 1.00 0.01 O ATOM 0 H GLY A 134 10.133 -4.111 -12.842 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.343 -4.154 -15.076 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.732 -5.245 -13.848 1.00 0.01 H new ATOM 2091 N THR A 135 7.470 -3.427 -11.972 1.00 0.01 N ATOM 2092 CA THR A 135 6.986 -2.312 -11.096 1.00 0.01 C ATOM 2093 C THR A 135 7.834 -2.238 -9.815 1.00 0.01 C ATOM 2094 O THR A 135 7.997 -3.209 -9.102 1.00 0.01 O ATOM 2095 CB THR A 135 5.518 -2.552 -10.732 1.00 1.43 C ATOM 2096 OG1 THR A 135 5.159 -1.702 -9.653 1.00 1.92 O ATOM 2097 CG2 THR A 135 5.309 -4.016 -10.332 1.00 2.30 C ATOM 0 H THR A 135 7.440 -4.352 -11.543 1.00 0.01 H new ATOM 0 HA THR A 135 7.079 -1.368 -11.634 1.00 0.01 H new ATOM 0 HB THR A 135 4.890 -2.331 -11.595 1.00 1.43 H new ATOM 0 HG1 THR A 135 4.184 -1.607 -9.622 1.00 1.92 H new ATOM 0 HG21 THR A 135 4.262 -4.177 -10.075 1.00 2.30 H new ATOM 0 HG22 THR A 135 5.582 -4.663 -11.165 1.00 2.30 H new ATOM 0 HG23 THR A 135 5.934 -4.251 -9.471 1.00 2.30 H new ATOM 2105 N TRP A 136 8.359 -1.076 -9.519 1.00 0.01 N ATOM 2106 CA TRP A 136 9.190 -0.872 -8.283 1.00 0.01 C ATOM 2107 C TRP A 136 8.591 0.322 -7.536 1.00 0.01 C ATOM 2108 O TRP A 136 8.007 1.189 -8.154 1.00 0.00 O ATOM 2109 CB TRP A 136 10.652 -0.587 -8.675 1.00 0.01 C ATOM 2110 CG TRP A 136 11.413 -1.874 -8.782 1.00 0.01 C ATOM 2111 CD1 TRP A 136 11.155 -2.858 -9.675 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.540 -2.332 -7.981 1.00 0.01 C ATOM 2113 NE1 TRP A 136 12.055 -3.890 -9.474 1.00 0.00 N ATOM 2114 CE2 TRP A 136 12.929 -3.613 -8.441 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.257 -1.766 -6.913 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 13.992 -4.307 -7.858 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.325 -2.460 -6.326 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.692 -3.728 -6.798 1.00 0.01 C ATOM 0 H TRP A 136 8.246 -0.240 -10.092 1.00 0.01 H new ATOM 0 HA TRP A 136 9.185 -1.761 -7.652 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.685 -0.055 -9.626 1.00 0.01 H new ATOM 0 HB3 TRP A 136 11.117 0.060 -7.931 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.375 -2.841 -10.422 1.00 0.01 H new ATOM 0 HE1 TRP A 136 12.071 -4.750 -10.022 1.00 0.00 H new ATOM 0 HE3 TRP A 136 12.984 -0.789 -6.542 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.270 -5.284 -8.225 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 14.868 -2.015 -5.505 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.516 -4.257 -6.342 1.00 0.01 H new ATOM 2129 N ILE A 137 8.720 0.407 -6.225 1.00 0.01 N ATOM 2130 CA ILE A 137 8.141 1.584 -5.491 1.00 0.00 C ATOM 2131 C ILE A 137 9.247 2.330 -4.737 1.00 0.01 C ATOM 2132 O ILE A 137 10.088 1.739 -4.089 1.00 0.01 O ATOM 2133 CB ILE A 137 7.106 1.098 -4.472 1.00 0.60 C ATOM 2134 CG1 ILE A 137 6.142 0.104 -5.136 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.315 2.300 -3.942 1.00 1.37 C ATOM 2136 CD1 ILE A 137 4.963 -0.196 -4.196 1.00 1.69 C ATOM 0 H ILE A 137 9.196 -0.280 -5.640 1.00 0.01 H new ATOM 0 HA ILE A 137 7.673 2.249 -6.217 1.00 0.00 H new ATOM 0 HB ILE A 137 7.618 0.601 -3.648 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.773 0.516 -6.075 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.669 -0.819 -5.378 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.577 1.958 -3.216 1.00 1.37 H new ATOM 0 HG22 ILE A 137 6.997 3.002 -3.463 1.00 1.37 H new ATOM 0 HG23 ILE A 137 5.808 2.795 -4.770 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.285 -0.902 -4.676 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.338 -0.627 -3.268 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.428 0.728 -3.976 1.00 1.69 H new ATOM 2148 N PHE A 138 9.212 3.634 -4.802 1.00 0.01 N ATOM 2149 CA PHE A 138 10.211 4.482 -4.079 1.00 0.01 C ATOM 2150 C PHE A 138 9.457 5.252 -2.999 1.00 0.01 C ATOM 2151 O PHE A 138 8.335 5.657 -3.210 1.00 0.00 O ATOM 2152 CB PHE A 138 10.846 5.470 -5.060 1.00 1.11 C ATOM 2153 CG PHE A 138 11.814 4.739 -5.955 1.00 1.11 C ATOM 2154 CD1 PHE A 138 13.125 4.514 -5.526 1.00 1.46 C ATOM 2155 CD2 PHE A 138 11.401 4.287 -7.213 1.00 1.54 C ATOM 2156 CE1 PHE A 138 14.026 3.835 -6.354 1.00 2.01 C ATOM 2157 CE2 PHE A 138 12.303 3.609 -8.042 1.00 2.35 C ATOM 2158 CZ PHE A 138 13.615 3.382 -7.613 1.00 2.49 C ATOM 0 H PHE A 138 8.520 4.160 -5.336 1.00 0.01 H new ATOM 0 HA PHE A 138 10.997 3.867 -3.641 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.073 5.951 -5.659 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.364 6.259 -4.514 1.00 1.11 H new ATOM 0 HD1 PHE A 138 13.443 4.864 -4.555 1.00 1.46 H new ATOM 0 HD2 PHE A 138 10.388 4.461 -7.544 1.00 1.54 H new ATOM 0 HE1 PHE A 138 15.039 3.660 -6.022 1.00 2.01 H new ATOM 0 HE2 PHE A 138 11.985 3.261 -9.014 1.00 2.35 H new ATOM 0 HZ PHE A 138 14.310 2.858 -8.252 1.00 2.49 H new ATOM 2168 N TYR A 139 10.056 5.469 -1.850 1.00 0.01 N ATOM 2169 CA TYR A 139 9.365 6.231 -0.757 1.00 0.01 C ATOM 2170 C TYR A 139 10.214 7.445 -0.372 1.00 0.01 C ATOM 2171 O TYR A 139 11.431 7.412 -0.447 1.00 0.01 O ATOM 2172 CB TYR A 139 9.184 5.328 0.465 1.00 0.01 C ATOM 2173 CG TYR A 139 8.381 4.109 0.077 1.00 0.01 C ATOM 2174 CD1 TYR A 139 8.970 3.103 -0.698 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.050 3.981 0.494 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.229 1.971 -1.057 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.309 2.849 0.135 1.00 0.02 C ATOM 2178 CZ TYR A 139 6.898 1.843 -0.641 1.00 0.02 C ATOM 2179 OH TYR A 139 6.169 0.727 -0.995 1.00 0.00 O ATOM 0 H TYR A 139 10.997 5.150 -1.621 1.00 0.01 H new ATOM 0 HA TYR A 139 8.388 6.563 -1.108 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.156 5.027 0.855 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.676 5.873 1.261 1.00 0.01 H new ATOM 0 HD1 TYR A 139 9.997 3.200 -1.019 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.595 4.756 1.093 1.00 0.01 H new ATOM 0 HE1 TYR A 139 8.684 1.196 -1.655 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.283 2.751 0.457 1.00 0.02 H new ATOM 0 HH TYR A 139 5.265 0.796 -0.624 1.00 0.00 H new ATOM 2189 N GLU A 140 9.578 8.540 -0.032 1.00 0.01 N ATOM 2190 CA GLU A 140 10.327 9.794 0.281 1.00 0.02 C ATOM 2191 C GLU A 140 10.969 9.739 1.674 1.00 0.01 C ATOM 2192 O GLU A 140 11.982 10.371 1.899 1.00 0.01 O ATOM 2193 CB GLU A 140 9.329 10.952 0.239 1.00 0.01 C ATOM 2194 CG GLU A 140 10.068 12.273 0.455 1.00 0.02 C ATOM 2195 CD GLU A 140 9.132 13.438 0.128 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.059 13.182 -0.395 1.00 0.02 O ATOM 2197 OE2 GLU A 140 9.502 14.567 0.404 1.00 0.01 O ATOM 0 H GLU A 140 8.564 8.618 0.042 1.00 0.01 H new ATOM 0 HA GLU A 140 11.127 9.922 -0.448 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.812 10.965 -0.721 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.569 10.819 1.009 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.411 12.346 1.487 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.954 12.315 -0.179 1.00 0.02 H new ATOM 2204 N LEU A 141 10.404 9.015 2.617 1.00 0.01 N ATOM 2205 CA LEU A 141 11.008 8.960 3.994 1.00 0.02 C ATOM 2206 C LEU A 141 11.466 7.514 4.279 1.00 0.01 C ATOM 2207 O LEU A 141 10.935 6.575 3.710 1.00 0.01 O ATOM 2208 CB LEU A 141 9.932 9.378 5.018 1.00 0.57 C ATOM 2209 CG LEU A 141 9.887 10.915 5.152 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.520 11.343 5.696 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.979 11.404 6.116 1.00 1.24 C ATOM 0 H LEU A 141 9.555 8.462 2.495 1.00 0.01 H new ATOM 0 HA LEU A 141 11.864 9.632 4.065 1.00 0.02 H new ATOM 0 HB2 LEU A 141 8.957 9.005 4.704 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.148 8.928 5.987 1.00 0.57 H new ATOM 0 HG LEU A 141 10.054 11.353 4.168 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.490 12.428 5.790 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.737 11.016 5.011 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.359 10.889 6.674 1.00 1.48 H new ATOM 0 HD21 LEU A 141 10.932 12.490 6.198 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.823 10.959 7.099 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.958 11.111 5.736 1.00 1.24 H new ATOM 2223 N PRO A 142 12.439 7.323 5.153 1.00 0.01 N ATOM 2224 CA PRO A 142 12.936 5.953 5.469 1.00 0.01 C ATOM 2225 C PRO A 142 11.821 5.010 5.939 1.00 0.01 C ATOM 2226 O PRO A 142 10.726 5.415 6.271 1.00 0.01 O ATOM 2227 CB PRO A 142 13.970 6.210 6.589 1.00 0.01 C ATOM 2228 CG PRO A 142 13.924 7.705 6.956 1.00 0.02 C ATOM 2229 CD PRO A 142 13.113 8.441 5.879 1.00 0.01 C ATOM 0 HA PRO A 142 13.353 5.452 4.596 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.744 5.598 7.462 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.969 5.932 6.254 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.466 7.842 7.936 1.00 0.02 H new ATOM 0 HG3 PRO A 142 14.933 8.112 7.016 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.392 9.132 6.317 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.754 9.025 5.218 1.00 0.01 H new ATOM 2237 N ASN A 143 12.144 3.748 5.981 1.00 0.01 N ATOM 2238 CA ASN A 143 11.177 2.715 6.445 1.00 0.01 C ATOM 2239 C ASN A 143 9.914 2.701 5.577 1.00 0.01 C ATOM 2240 O ASN A 143 8.838 2.363 6.029 1.00 0.01 O ATOM 2241 CB ASN A 143 10.786 3.007 7.894 1.00 0.23 C ATOM 2242 CG ASN A 143 12.038 3.346 8.704 1.00 0.11 C ATOM 2243 OD1 ASN A 143 12.939 2.538 8.818 1.00 0.75 O ATOM 2244 ND2 ASN A 143 12.134 4.515 9.276 1.00 0.56 N ATOM 0 H ASN A 143 13.056 3.382 5.708 1.00 0.01 H new ATOM 0 HA ASN A 143 11.657 1.739 6.367 1.00 0.01 H new ATOM 0 HB2 ASN A 143 10.081 3.837 7.931 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.283 2.142 8.327 1.00 0.23 H new ATOM 0 HD21 ASN A 143 12.965 4.751 9.819 1.00 0.56 H new ATOM 0 HD22 ASN A 143 11.378 5.193 9.180 1.00 0.56 H new ATOM 2251 N TYR A 144 10.054 3.030 4.323 1.00 0.01 N ATOM 2252 CA TYR A 144 8.887 3.002 3.391 1.00 0.02 C ATOM 2253 C TYR A 144 7.754 3.904 3.901 1.00 0.01 C ATOM 2254 O TYR A 144 6.618 3.484 3.997 1.00 0.01 O ATOM 2255 CB TYR A 144 8.388 1.551 3.258 1.00 0.01 C ATOM 2256 CG TYR A 144 9.564 0.606 3.403 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.595 0.623 2.454 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.634 -0.274 4.493 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.691 -0.240 2.593 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.730 -1.133 4.632 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.759 -1.117 3.682 1.00 0.01 C ATOM 2262 OH TYR A 144 12.840 -1.964 3.819 1.00 0.01 O ATOM 0 H TYR A 144 10.935 3.320 3.898 1.00 0.01 H new ATOM 0 HA TYR A 144 9.201 3.378 2.417 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.639 1.339 4.022 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.907 1.406 2.291 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.545 1.301 1.615 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.841 -0.289 5.226 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.483 -0.228 1.859 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.782 -1.809 5.473 1.00 0.01 H new ATOM 0 HH TYR A 144 12.731 -2.505 4.629 1.00 0.01 H new ATOM 2272 N ARG A 145 8.059 5.140 4.223 1.00 0.02 N ATOM 2273 CA ARG A 145 6.999 6.083 4.726 1.00 0.01 C ATOM 2274 C ARG A 145 6.995 7.362 3.883 1.00 0.01 C ATOM 2275 O ARG A 145 7.920 7.630 3.144 1.00 0.01 O ATOM 2276 CB ARG A 145 7.297 6.453 6.180 1.00 0.01 C ATOM 2277 CG ARG A 145 7.188 5.205 7.057 1.00 0.02 C ATOM 2278 CD ARG A 145 7.373 5.593 8.525 1.00 0.01 C ATOM 2279 NE ARG A 145 7.060 4.422 9.391 1.00 0.01 N ATOM 2280 CZ ARG A 145 7.423 4.421 10.644 1.00 0.01 C ATOM 2281 NH1 ARG A 145 8.061 5.447 11.137 1.00 0.02 N ATOM 2282 NH2 ARG A 145 7.151 3.395 11.401 1.00 0.01 N ATOM 0 H ARG A 145 8.995 5.539 4.160 1.00 0.02 H new ATOM 0 HA ARG A 145 6.027 5.595 4.654 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.297 6.880 6.260 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.596 7.214 6.524 1.00 0.01 H new ATOM 0 HG2 ARG A 145 6.216 4.732 6.915 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.944 4.476 6.765 1.00 0.02 H new ATOM 0 HD2 ARG A 145 8.397 5.924 8.699 1.00 0.01 H new ATOM 0 HD3 ARG A 145 6.721 6.429 8.776 1.00 0.01 H new ATOM 0 HE ARG A 145 6.562 3.621 9.004 1.00 0.01 H new ATOM 0 HH11 ARG A 145 8.275 6.248 10.543 1.00 0.02 H new ATOM 0 HH12 ARG A 145 8.346 5.448 12.116 1.00 0.02 H new ATOM 0 HH21 ARG A 145 6.654 2.593 11.014 1.00 0.01 H new ATOM 0 HH22 ARG A 145 7.435 3.394 12.381 1.00 0.01 H new ATOM 2296 N GLY A 146 5.951 8.151 3.977 1.00 0.01 N ATOM 2297 CA GLY A 146 5.878 9.414 3.180 1.00 0.02 C ATOM 2298 C GLY A 146 5.235 9.145 1.817 1.00 0.01 C ATOM 2299 O GLY A 146 4.634 8.115 1.588 1.00 0.02 O ATOM 0 H GLY A 146 5.144 7.972 4.574 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.298 10.161 3.722 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.879 9.824 3.043 1.00 0.02 H new ATOM 2303 N ARG A 147 5.361 10.078 0.911 1.00 0.01 N ATOM 2304 CA ARG A 147 4.765 9.906 -0.446 1.00 0.01 C ATOM 2305 C ARG A 147 5.532 8.820 -1.193 1.00 0.01 C ATOM 2306 O ARG A 147 6.732 8.675 -1.054 1.00 0.01 O ATOM 2307 CB ARG A 147 4.871 11.227 -1.211 1.00 0.01 C ATOM 2308 CG ARG A 147 4.051 11.140 -2.502 1.00 0.01 C ATOM 2309 CD ARG A 147 4.319 12.375 -3.365 1.00 0.01 C ATOM 2310 NE ARG A 147 4.261 13.615 -2.521 1.00 0.02 N ATOM 2311 CZ ARG A 147 3.201 13.918 -1.818 1.00 0.02 C ATOM 2312 NH1 ARG A 147 2.092 13.248 -1.967 1.00 0.01 N ATOM 2313 NH2 ARG A 147 3.237 14.934 -0.998 1.00 0.02 N ATOM 0 H ARG A 147 5.855 10.959 1.054 1.00 0.01 H new ATOM 0 HA ARG A 147 3.717 9.619 -0.359 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.508 12.047 -0.592 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.914 11.441 -1.444 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.314 10.236 -3.051 1.00 0.01 H new ATOM 0 HG3 ARG A 147 2.989 11.072 -2.266 1.00 0.01 H new ATOM 0 HD2 ARG A 147 5.298 12.293 -3.838 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.582 12.436 -4.166 1.00 0.01 H new ATOM 0 HE ARG A 147 5.069 14.237 -2.495 1.00 0.02 H new ATOM 0 HH11 ARG A 147 2.046 12.480 -2.637 1.00 0.01 H new ATOM 0 HH12 ARG A 147 1.270 13.492 -1.414 1.00 0.01 H new ATOM 0 HH21 ARG A 147 4.089 15.487 -0.908 1.00 0.02 H new ATOM 0 HH22 ARG A 147 2.413 15.174 -0.447 1.00 0.02 H new ATOM 2327 N GLN A 148 4.823 8.025 -1.962 1.00 0.01 N ATOM 2328 CA GLN A 148 5.463 6.899 -2.708 1.00 0.01 C ATOM 2329 C GLN A 148 5.365 7.142 -4.219 1.00 0.01 C ATOM 2330 O GLN A 148 4.420 7.729 -4.704 1.00 0.01 O ATOM 2331 CB GLN A 148 4.697 5.617 -2.350 1.00 0.00 C ATOM 2332 CG GLN A 148 4.358 5.614 -0.853 1.00 0.02 C ATOM 2333 CD GLN A 148 3.121 6.479 -0.599 1.00 0.02 C ATOM 2334 OE1 GLN A 148 2.582 7.073 -1.513 1.00 0.02 O ATOM 2335 NE2 GLN A 148 2.644 6.575 0.611 1.00 0.01 N ATOM 0 H GLN A 148 3.817 8.112 -2.104 1.00 0.01 H new ATOM 0 HA GLN A 148 6.516 6.817 -2.439 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.782 5.553 -2.939 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.298 4.742 -2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 148 4.176 4.594 -0.514 1.00 0.02 H new ATOM 0 HG3 GLN A 148 5.203 5.994 -0.279 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.096 6.077 1.378 1.00 0.01 H new ATOM 0 HE22 GLN A 148 1.819 7.148 0.790 1.00 0.01 H new ATOM 2344 N TYR A 149 6.339 6.673 -4.959 1.00 0.01 N ATOM 2345 CA TYR A 149 6.335 6.838 -6.450 1.00 0.01 C ATOM 2346 C TYR A 149 6.472 5.460 -7.106 1.00 0.01 C ATOM 2347 O TYR A 149 7.272 4.650 -6.682 1.00 0.01 O ATOM 2348 CB TYR A 149 7.512 7.724 -6.873 1.00 0.01 C ATOM 2349 CG TYR A 149 7.199 9.170 -6.563 1.00 0.01 C ATOM 2350 CD1 TYR A 149 6.396 9.916 -7.434 1.00 0.01 C ATOM 2351 CD2 TYR A 149 7.716 9.765 -5.406 1.00 0.01 C ATOM 2352 CE1 TYR A 149 6.109 11.256 -7.146 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.431 11.104 -5.119 1.00 0.01 C ATOM 2354 CZ TYR A 149 6.627 11.851 -5.990 1.00 0.01 C ATOM 2355 OH TYR A 149 6.346 13.172 -5.706 1.00 0.01 O ATOM 0 H TYR A 149 7.149 6.175 -4.590 1.00 0.01 H new ATOM 0 HA TYR A 149 5.402 7.306 -6.764 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.417 7.417 -6.349 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.705 7.604 -7.939 1.00 0.01 H new ATOM 0 HD1 TYR A 149 5.998 9.458 -8.328 1.00 0.01 H new ATOM 0 HD2 TYR A 149 8.336 9.189 -4.734 1.00 0.01 H new ATOM 0 HE1 TYR A 149 5.487 11.831 -7.817 1.00 0.01 H new ATOM 0 HE2 TYR A 149 7.831 11.562 -4.226 1.00 0.01 H new ATOM 0 HH TYR A 149 6.783 13.426 -4.866 1.00 0.01 H new ATOM 2365 N LEU A 150 5.698 5.172 -8.124 1.00 0.01 N ATOM 2366 CA LEU A 150 5.790 3.830 -8.787 1.00 0.01 C ATOM 2367 C LEU A 150 6.640 3.962 -10.057 1.00 0.01 C ATOM 2368 O LEU A 150 6.305 4.700 -10.960 1.00 0.01 O ATOM 2369 CB LEU A 150 4.364 3.367 -9.133 1.00 0.01 C ATOM 2370 CG LEU A 150 4.309 1.835 -9.249 1.00 0.01 C ATOM 2371 CD1 LEU A 150 2.854 1.388 -9.403 1.00 0.01 C ATOM 2372 CD2 LEU A 150 5.119 1.377 -10.467 1.00 0.01 C ATOM 0 H LEU A 150 5.007 5.806 -8.525 1.00 0.01 H new ATOM 0 HA LEU A 150 6.258 3.097 -8.129 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.669 3.705 -8.364 1.00 0.01 H new ATOM 0 HB3 LEU A 150 4.046 3.820 -10.072 1.00 0.01 H new ATOM 0 HG LEU A 150 4.734 1.390 -8.349 1.00 0.01 H new ATOM 0 HD11 LEU A 150 2.814 0.302 -9.485 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.281 1.707 -8.532 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.429 1.836 -10.301 1.00 0.01 H new ATOM 0 HD21 LEU A 150 5.077 0.291 -10.544 1.00 0.01 H new ATOM 0 HD22 LEU A 150 4.701 1.822 -11.370 1.00 0.01 H new ATOM 0 HD23 LEU A 150 6.156 1.693 -10.354 1.00 0.01 H new ATOM 2384 N LEU A 151 7.732 3.237 -10.139 1.00 0.01 N ATOM 2385 CA LEU A 151 8.602 3.302 -11.358 1.00 0.01 C ATOM 2386 C LEU A 151 8.334 2.072 -12.230 1.00 0.01 C ATOM 2387 O LEU A 151 7.927 1.034 -11.742 1.00 0.01 O ATOM 2388 CB LEU A 151 10.075 3.325 -10.933 1.00 0.01 C ATOM 2389 CG LEU A 151 10.990 3.429 -12.166 1.00 0.01 C ATOM 2390 CD1 LEU A 151 10.676 4.708 -12.965 1.00 0.01 C ATOM 2391 CD2 LEU A 151 12.451 3.464 -11.700 1.00 0.01 C ATOM 0 H LEU A 151 8.059 2.601 -9.412 1.00 0.01 H new ATOM 0 HA LEU A 151 8.379 4.206 -11.924 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.254 4.169 -10.267 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.312 2.421 -10.372 1.00 0.01 H new ATOM 0 HG LEU A 151 10.821 2.566 -12.810 1.00 0.01 H new ATOM 0 HD11 LEU A 151 11.333 4.765 -13.833 1.00 0.01 H new ATOM 0 HD12 LEU A 151 9.638 4.685 -13.296 1.00 0.01 H new ATOM 0 HD13 LEU A 151 10.835 5.581 -12.332 1.00 0.01 H new ATOM 0 HD21 LEU A 151 13.108 3.538 -12.567 1.00 0.01 H new ATOM 0 HD22 LEU A 151 12.606 4.327 -11.053 1.00 0.01 H new ATOM 0 HD23 LEU A 151 12.679 2.552 -11.149 1.00 0.01 H new ATOM 2403 N ASP A 152 8.567 2.173 -13.516 1.00 0.01 N ATOM 2404 CA ASP A 152 8.329 1.009 -14.429 1.00 0.01 C ATOM 2405 C ASP A 152 9.672 0.386 -14.821 1.00 0.00 C ATOM 2406 O ASP A 152 10.432 -0.049 -13.980 1.00 0.01 O ATOM 2407 CB ASP A 152 7.606 1.498 -15.686 1.00 1.04 C ATOM 2408 CG ASP A 152 6.181 1.922 -15.325 1.00 1.54 C ATOM 2409 OD1 ASP A 152 5.549 1.212 -14.559 1.00 1.57 O ATOM 2410 OD2 ASP A 152 5.745 2.948 -15.820 1.00 2.27 O ATOM 0 H ASP A 152 8.913 3.015 -13.975 1.00 0.01 H new ATOM 0 HA ASP A 152 7.719 0.262 -13.922 1.00 0.01 H new ATOM 0 HB2 ASP A 152 8.146 2.337 -16.125 1.00 1.04 H new ATOM 0 HB3 ASP A 152 7.582 0.707 -16.435 1.00 1.04 H new ATOM 2415 N LYS A 153 9.972 0.334 -16.092 1.00 0.01 N ATOM 2416 CA LYS A 153 11.266 -0.269 -16.530 1.00 0.01 C ATOM 2417 C LYS A 153 11.664 0.303 -17.891 1.00 0.01 C ATOM 2418 O LYS A 153 11.962 -0.426 -18.817 1.00 0.01 O ATOM 2419 CB LYS A 153 11.106 -1.787 -16.641 1.00 0.38 C ATOM 2420 CG LYS A 153 9.831 -2.110 -17.421 1.00 0.71 C ATOM 2421 CD LYS A 153 9.838 -3.586 -17.819 1.00 0.72 C ATOM 2422 CE LYS A 153 8.574 -3.905 -18.622 1.00 1.09 C ATOM 2423 NZ LYS A 153 7.388 -3.850 -17.721 1.00 1.84 N ATOM 0 H LYS A 153 9.378 0.682 -16.845 1.00 0.01 H new ATOM 0 HA LYS A 153 12.041 -0.036 -15.800 1.00 0.01 H new ATOM 0 HB2 LYS A 153 11.972 -2.219 -17.143 1.00 0.38 H new ATOM 0 HB3 LYS A 153 11.060 -2.232 -15.647 1.00 0.38 H new ATOM 0 HG2 LYS A 153 8.954 -1.891 -16.812 1.00 0.71 H new ATOM 0 HG3 LYS A 153 9.767 -1.483 -18.310 1.00 0.71 H new ATOM 0 HD2 LYS A 153 10.725 -3.809 -18.412 1.00 0.72 H new ATOM 0 HD3 LYS A 153 9.884 -4.213 -16.929 1.00 0.72 H new ATOM 0 HE2 LYS A 153 8.458 -3.191 -19.438 1.00 1.09 H new ATOM 0 HE3 LYS A 153 8.656 -4.894 -19.073 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 6.530 -4.083 -18.261 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 7.507 -4.535 -16.948 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 7.298 -2.893 -17.324 1.00 1.84 H new ATOM 2437 N LYS A 154 11.677 1.607 -18.015 1.00 0.00 N ATOM 2438 CA LYS A 154 12.060 2.254 -19.311 1.00 0.01 C ATOM 2439 C LYS A 154 13.386 2.992 -19.128 1.00 0.01 C ATOM 2440 O LYS A 154 14.191 2.640 -18.289 1.00 0.00 O ATOM 2441 CB LYS A 154 10.978 3.256 -19.716 1.00 0.39 C ATOM 2442 CG LYS A 154 9.609 2.574 -19.682 1.00 0.48 C ATOM 2443 CD LYS A 154 8.527 3.583 -20.069 1.00 0.97 C ATOM 2444 CE LYS A 154 7.187 2.863 -20.225 1.00 1.44 C ATOM 2445 NZ LYS A 154 6.111 3.866 -20.463 1.00 2.28 N ATOM 0 H LYS A 154 11.437 2.258 -17.267 1.00 0.00 H new ATOM 0 HA LYS A 154 12.163 1.494 -20.086 1.00 0.01 H new ATOM 0 HB2 LYS A 154 10.987 4.110 -19.039 1.00 0.39 H new ATOM 0 HB3 LYS A 154 11.180 3.640 -20.716 1.00 0.39 H new ATOM 0 HG2 LYS A 154 9.595 1.728 -20.369 1.00 0.48 H new ATOM 0 HG3 LYS A 154 9.413 2.178 -18.686 1.00 0.48 H new ATOM 0 HD2 LYS A 154 8.448 4.358 -19.306 1.00 0.97 H new ATOM 0 HD3 LYS A 154 8.795 4.080 -21.001 1.00 0.97 H new ATOM 0 HE2 LYS A 154 7.234 2.160 -21.056 1.00 1.44 H new ATOM 0 HE3 LYS A 154 6.967 2.283 -19.329 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 5.199 3.378 -20.569 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 6.062 4.520 -19.656 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 6.321 4.401 -21.330 1.00 2.28 H new ATOM 2459 N GLU A 155 13.617 4.020 -19.906 1.00 0.01 N ATOM 2460 CA GLU A 155 14.887 4.801 -19.786 1.00 0.01 C ATOM 2461 C GLU A 155 14.586 6.143 -19.121 1.00 0.01 C ATOM 2462 O GLU A 155 14.107 7.065 -19.752 1.00 0.01 O ATOM 2463 CB GLU A 155 15.463 5.049 -21.182 1.00 0.01 C ATOM 2464 CG GLU A 155 15.809 3.711 -21.840 1.00 0.01 C ATOM 2465 CD GLU A 155 17.011 3.087 -21.127 1.00 0.01 C ATOM 2466 OE1 GLU A 155 17.651 3.789 -20.361 1.00 0.01 O ATOM 2467 OE2 GLU A 155 17.272 1.918 -21.361 1.00 0.01 O ATOM 0 H GLU A 155 12.975 4.354 -20.625 1.00 0.01 H new ATOM 0 HA GLU A 155 15.607 4.244 -19.187 1.00 0.01 H new ATOM 0 HB2 GLU A 155 14.741 5.590 -21.793 1.00 0.01 H new ATOM 0 HB3 GLU A 155 16.354 5.673 -21.113 1.00 0.01 H new ATOM 0 HG2 GLU A 155 14.953 3.037 -21.791 1.00 0.01 H new ATOM 0 HG3 GLU A 155 16.036 3.861 -22.895 1.00 0.01 H new ATOM 2474 N TYR A 156 14.855 6.260 -17.846 1.00 0.00 N ATOM 2475 CA TYR A 156 14.579 7.542 -17.127 1.00 0.01 C ATOM 2476 C TYR A 156 15.870 8.357 -17.024 1.00 0.01 C ATOM 2477 O TYR A 156 16.806 7.966 -16.357 1.00 0.01 O ATOM 2478 CB TYR A 156 14.044 7.224 -15.730 1.00 0.01 C ATOM 2479 CG TYR A 156 13.087 6.060 -15.813 1.00 0.00 C ATOM 2480 CD1 TYR A 156 11.745 6.280 -16.143 1.00 0.01 C ATOM 2481 CD2 TYR A 156 13.542 4.761 -15.559 1.00 0.01 C ATOM 2482 CE1 TYR A 156 10.858 5.200 -16.220 1.00 0.01 C ATOM 2483 CE2 TYR A 156 12.656 3.682 -15.636 1.00 0.01 C ATOM 2484 CZ TYR A 156 11.314 3.901 -15.966 1.00 0.01 C ATOM 2485 OH TYR A 156 10.439 2.836 -16.042 1.00 0.01 O ATOM 0 H TYR A 156 15.256 5.520 -17.269 1.00 0.00 H new ATOM 0 HA TYR A 156 13.837 8.124 -17.674 1.00 0.01 H new ATOM 0 HB2 TYR A 156 14.869 6.984 -15.059 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.538 8.096 -15.315 1.00 0.01 H new ATOM 0 HD1 TYR A 156 11.394 7.283 -16.338 1.00 0.01 H new ATOM 0 HD2 TYR A 156 14.578 4.592 -15.303 1.00 0.01 H new ATOM 0 HE1 TYR A 156 9.822 5.369 -16.475 1.00 0.01 H new ATOM 0 HE2 TYR A 156 13.007 2.680 -15.441 1.00 0.01 H new ATOM 0 HH TYR A 156 9.902 2.912 -16.858 1.00 0.01 H new ATOM 2495 N ARG A 157 15.942 9.469 -17.707 1.00 0.01 N ATOM 2496 CA ARG A 157 17.194 10.284 -17.677 1.00 0.01 C ATOM 2497 C ARG A 157 17.121 11.385 -16.612 1.00 0.00 C ATOM 2498 O ARG A 157 18.142 11.858 -16.154 1.00 0.01 O ATOM 2499 CB ARG A 157 17.399 10.932 -19.048 1.00 0.01 C ATOM 2500 CG ARG A 157 18.698 11.741 -19.042 1.00 0.01 C ATOM 2501 CD ARG A 157 19.054 12.150 -20.472 1.00 0.00 C ATOM 2502 NE ARG A 157 19.468 10.945 -21.245 1.00 0.01 N ATOM 2503 CZ ARG A 157 19.529 10.993 -22.548 1.00 0.01 C ATOM 2504 NH1 ARG A 157 19.225 12.096 -23.175 1.00 0.01 N ATOM 2505 NH2 ARG A 157 19.893 9.938 -23.223 1.00 0.01 N ATOM 0 H ARG A 157 15.191 9.848 -18.283 1.00 0.01 H new ATOM 0 HA ARG A 157 18.026 9.624 -17.432 1.00 0.01 H new ATOM 0 HB2 ARG A 157 17.439 10.165 -19.822 1.00 0.01 H new ATOM 0 HB3 ARG A 157 16.556 11.580 -19.285 1.00 0.01 H new ATOM 0 HG2 ARG A 157 18.584 12.627 -18.417 1.00 0.01 H new ATOM 0 HG3 ARG A 157 19.505 11.149 -18.611 1.00 0.01 H new ATOM 0 HD2 ARG A 157 18.197 12.625 -20.950 1.00 0.00 H new ATOM 0 HD3 ARG A 157 19.860 12.883 -20.462 1.00 0.00 H new ATOM 0 HE ARG A 157 19.704 10.082 -20.755 1.00 0.01 H new ATOM 0 HH11 ARG A 157 18.940 12.921 -22.647 1.00 0.01 H new ATOM 0 HH12 ARG A 157 19.273 12.134 -24.193 1.00 0.01 H new ATOM 0 HH21 ARG A 157 20.130 9.076 -22.733 1.00 0.01 H new ATOM 0 HH22 ARG A 157 19.941 9.975 -24.241 1.00 0.01 H new ATOM 2519 N LYS A 158 15.943 11.798 -16.197 1.00 0.01 N ATOM 2520 CA LYS A 158 15.834 12.864 -15.144 1.00 0.01 C ATOM 2521 C LYS A 158 14.884 12.371 -14.034 1.00 0.01 C ATOM 2522 O LYS A 158 14.009 11.573 -14.294 1.00 0.01 O ATOM 2523 CB LYS A 158 15.256 14.135 -15.790 1.00 0.58 C ATOM 2524 CG LYS A 158 16.370 14.909 -16.501 1.00 0.97 C ATOM 2525 CD LYS A 158 15.804 16.210 -17.075 1.00 1.44 C ATOM 2526 CE LYS A 158 16.954 17.143 -17.459 1.00 2.13 C ATOM 2527 NZ LYS A 158 16.425 18.282 -18.260 1.00 2.54 N ATOM 0 H LYS A 158 15.052 11.442 -16.542 1.00 0.01 H new ATOM 0 HA LYS A 158 16.813 13.080 -14.717 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.474 13.869 -16.502 1.00 0.58 H new ATOM 0 HB3 LYS A 158 14.793 14.763 -15.028 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.177 15.129 -15.802 1.00 0.97 H new ATOM 0 HG3 LYS A 158 16.796 14.302 -17.300 1.00 0.97 H new ATOM 0 HD2 LYS A 158 15.188 15.997 -17.949 1.00 1.44 H new ATOM 0 HD3 LYS A 158 15.159 16.693 -16.341 1.00 1.44 H new ATOM 0 HE2 LYS A 158 17.449 17.515 -16.562 1.00 2.13 H new ATOM 0 HE3 LYS A 158 17.702 16.597 -18.034 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 17.207 18.916 -18.521 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 15.971 17.919 -19.123 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 15.726 18.808 -17.697 1.00 2.54 H new ATOM 2541 N PRO A 159 15.014 12.851 -12.813 1.00 0.01 N ATOM 2542 CA PRO A 159 14.086 12.418 -11.725 1.00 0.02 C ATOM 2543 C PRO A 159 12.630 12.756 -12.083 1.00 0.01 C ATOM 2544 O PRO A 159 11.723 12.015 -11.761 1.00 0.01 O ATOM 2545 CB PRO A 159 14.586 13.233 -10.514 1.00 0.41 C ATOM 2546 CG PRO A 159 15.647 14.236 -11.009 1.00 0.70 C ATOM 2547 CD PRO A 159 16.069 13.830 -12.430 1.00 0.28 C ATOM 0 HA PRO A 159 14.088 11.343 -11.543 1.00 0.02 H new ATOM 0 HB2 PRO A 159 13.756 13.760 -10.043 1.00 0.41 H new ATOM 0 HB3 PRO A 159 15.012 12.571 -9.761 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.243 15.248 -11.008 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.509 14.236 -10.342 1.00 0.70 H new ATOM 0 HD2 PRO A 159 16.094 14.685 -13.106 1.00 0.28 H new ATOM 0 HD3 PRO A 159 17.063 13.382 -12.446 1.00 0.28 H new ATOM 2555 N VAL A 160 12.390 13.860 -12.732 1.00 0.01 N ATOM 2556 CA VAL A 160 10.985 14.215 -13.086 1.00 0.02 C ATOM 2557 C VAL A 160 10.413 13.127 -13.993 1.00 0.02 C ATOM 2558 O VAL A 160 9.213 12.983 -14.121 1.00 0.02 O ATOM 2559 CB VAL A 160 10.971 15.557 -13.818 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.528 15.944 -14.147 1.00 0.86 C ATOM 2561 CG2 VAL A 160 11.595 16.631 -12.925 1.00 0.74 C ATOM 0 H VAL A 160 13.099 14.529 -13.032 1.00 0.01 H new ATOM 0 HA VAL A 160 10.381 14.293 -12.182 1.00 0.02 H new ATOM 0 HB VAL A 160 11.544 15.473 -14.741 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.518 16.901 -14.669 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.082 15.179 -14.783 1.00 0.86 H new ATOM 0 HG13 VAL A 160 8.954 16.028 -13.224 1.00 0.86 H new ATOM 0 HG21 VAL A 160 11.585 17.588 -13.446 1.00 0.74 H new ATOM 0 HG22 VAL A 160 11.022 16.715 -12.002 1.00 0.74 H new ATOM 0 HG23 VAL A 160 12.623 16.356 -12.690 1.00 0.74 H new ATOM 2571 N ASP A 161 11.249 12.355 -14.623 1.00 0.00 N ATOM 2572 CA ASP A 161 10.720 11.284 -15.508 1.00 0.01 C ATOM 2573 C ASP A 161 9.964 10.247 -14.669 1.00 0.01 C ATOM 2574 O ASP A 161 9.199 9.458 -15.188 1.00 0.01 O ATOM 2575 CB ASP A 161 11.877 10.603 -16.239 1.00 0.00 C ATOM 2576 CG ASP A 161 12.609 11.629 -17.104 1.00 0.02 C ATOM 2577 OD1 ASP A 161 12.156 12.761 -17.156 1.00 0.00 O ATOM 2578 OD2 ASP A 161 13.610 11.267 -17.701 1.00 0.00 O ATOM 0 H ASP A 161 12.265 12.417 -14.565 1.00 0.00 H new ATOM 0 HA ASP A 161 10.040 11.725 -16.237 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.566 10.161 -15.519 1.00 0.00 H new ATOM 0 HB3 ASP A 161 11.500 9.790 -16.860 1.00 0.00 H new ATOM 2583 N TRP A 162 10.149 10.262 -13.369 1.00 0.01 N ATOM 2584 CA TRP A 162 9.413 9.295 -12.493 1.00 0.01 C ATOM 2585 C TRP A 162 8.189 9.993 -11.896 1.00 0.01 C ATOM 2586 O TRP A 162 7.533 9.465 -11.020 1.00 0.01 O ATOM 2587 CB TRP A 162 10.295 8.826 -11.331 1.00 0.01 C ATOM 2588 CG TRP A 162 11.610 8.316 -11.828 1.00 0.02 C ATOM 2589 CD1 TRP A 162 11.799 7.593 -12.958 1.00 0.01 C ATOM 2590 CD2 TRP A 162 12.923 8.468 -11.217 1.00 0.01 C ATOM 2591 NE1 TRP A 162 13.144 7.293 -13.073 1.00 0.01 N ATOM 2592 CE2 TRP A 162 13.879 7.812 -12.026 1.00 0.01 C ATOM 2593 CE3 TRP A 162 13.371 9.107 -10.047 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 15.232 7.791 -11.687 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 14.732 9.088 -9.702 1.00 0.01 C ATOM 2596 CH2 TRP A 162 15.661 8.431 -10.521 1.00 0.01 C ATOM 0 H TRP A 162 10.776 10.900 -12.879 1.00 0.01 H new ATOM 0 HA TRP A 162 9.125 8.437 -13.101 1.00 0.01 H new ATOM 0 HB2 TRP A 162 10.459 9.651 -10.638 1.00 0.01 H new ATOM 0 HB3 TRP A 162 9.783 8.041 -10.775 1.00 0.01 H new ATOM 0 HD1 TRP A 162 11.027 7.299 -13.654 1.00 0.01 H new ATOM 0 HE1 TRP A 162 13.545 6.753 -13.840 1.00 0.01 H new ATOM 0 HE3 TRP A 162 12.663 9.616 -9.409 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 15.943 7.283 -12.322 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 15.065 9.582 -8.801 1.00 0.01 H new ATOM 0 HH2 TRP A 162 16.707 8.419 -10.251 1.00 0.01 H new ATOM 2607 N GLY A 163 7.850 11.159 -12.375 1.00 0.02 N ATOM 2608 CA GLY A 163 6.644 11.859 -11.847 1.00 0.01 C ATOM 2609 C GLY A 163 6.953 12.579 -10.529 1.00 0.01 C ATOM 2610 O GLY A 163 6.060 13.013 -9.830 1.00 0.01 O ATOM 0 H GLY A 163 8.355 11.657 -13.108 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.287 12.580 -12.583 1.00 0.01 H new ATOM 0 HA3 GLY A 163 5.841 11.138 -11.691 1.00 0.01 H new ATOM 2614 N ALA A 164 8.208 12.692 -10.170 1.00 0.01 N ATOM 2615 CA ALA A 164 8.570 13.364 -8.880 1.00 0.02 C ATOM 2616 C ALA A 164 9.019 14.802 -9.145 1.00 0.01 C ATOM 2617 O ALA A 164 9.705 15.092 -10.103 1.00 0.02 O ATOM 2618 CB ALA A 164 9.740 12.609 -8.246 1.00 0.01 C ATOM 0 H ALA A 164 8.999 12.348 -10.714 1.00 0.01 H new ATOM 0 HA ALA A 164 7.702 13.366 -8.221 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.015 13.087 -7.306 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.447 11.577 -8.056 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.593 12.625 -8.924 1.00 0.01 H new ATOM 2624 N ALA A 165 8.626 15.705 -8.287 1.00 0.02 N ATOM 2625 CA ALA A 165 9.011 17.135 -8.458 1.00 0.01 C ATOM 2626 C ALA A 165 10.382 17.397 -7.823 1.00 0.02 C ATOM 2627 O ALA A 165 10.948 18.459 -7.989 1.00 0.01 O ATOM 2628 CB ALA A 165 7.973 18.031 -7.781 1.00 0.59 C ATOM 0 H ALA A 165 8.050 15.511 -7.468 1.00 0.02 H new ATOM 0 HA ALA A 165 9.058 17.357 -9.524 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.257 19.076 -7.907 1.00 0.59 H new ATOM 0 HB2 ALA A 165 6.996 17.863 -8.234 1.00 0.59 H new ATOM 0 HB3 ALA A 165 7.925 17.794 -6.718 1.00 0.59 H new ATOM 2634 N SER A 166 10.925 16.447 -7.097 1.00 0.01 N ATOM 2635 CA SER A 166 12.264 16.656 -6.454 1.00 0.01 C ATOM 2636 C SER A 166 13.085 15.353 -6.527 1.00 0.02 C ATOM 2637 O SER A 166 12.520 14.277 -6.527 1.00 0.01 O ATOM 2638 CB SER A 166 12.058 17.037 -4.986 1.00 0.72 C ATOM 2639 OG SER A 166 11.897 15.855 -4.213 1.00 0.87 O ATOM 0 H SER A 166 10.500 15.537 -6.922 1.00 0.01 H new ATOM 0 HA SER A 166 12.798 17.450 -6.976 1.00 0.01 H new ATOM 0 HB2 SER A 166 12.912 17.609 -4.623 1.00 0.72 H new ATOM 0 HB3 SER A 166 11.180 17.675 -4.883 1.00 0.72 H new ATOM 0 HG SER A 166 11.766 16.095 -3.272 1.00 0.87 H new ATOM 2645 N PRO A 167 14.406 15.423 -6.574 1.00 0.02 N ATOM 2646 CA PRO A 167 15.240 14.182 -6.624 1.00 0.01 C ATOM 2647 C PRO A 167 15.325 13.486 -5.257 1.00 0.01 C ATOM 2648 O PRO A 167 16.188 12.653 -5.030 1.00 0.01 O ATOM 2649 CB PRO A 167 16.613 14.746 -7.021 1.00 0.38 C ATOM 2650 CG PRO A 167 16.630 16.224 -6.614 1.00 0.35 C ATOM 2651 CD PRO A 167 15.171 16.712 -6.587 1.00 0.22 C ATOM 0 HA PRO A 167 14.842 13.426 -7.300 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.413 14.200 -6.521 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.777 14.640 -8.093 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.094 16.347 -5.635 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.217 16.810 -7.321 1.00 0.35 H new ATOM 0 HD2 PRO A 167 14.961 17.319 -5.706 1.00 0.22 H new ATOM 0 HD3 PRO A 167 14.929 17.320 -7.458 1.00 0.22 H new ATOM 2659 N ALA A 168 14.475 13.846 -4.332 1.00 0.01 N ATOM 2660 CA ALA A 168 14.563 13.224 -2.980 1.00 0.01 C ATOM 2661 C ALA A 168 13.874 11.859 -2.953 1.00 0.01 C ATOM 2662 O ALA A 168 12.698 11.719 -3.222 1.00 0.02 O ATOM 2663 CB ALA A 168 13.886 14.138 -1.957 1.00 0.18 C ATOM 0 H ALA A 168 13.733 14.535 -4.452 1.00 0.01 H new ATOM 0 HA ALA A 168 15.617 13.089 -2.736 1.00 0.01 H new ATOM 0 HB1 ALA A 168 13.949 13.686 -0.967 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.387 15.106 -1.946 1.00 0.18 H new ATOM 0 HB3 ALA A 168 12.839 14.275 -2.228 1.00 0.18 H new ATOM 2669 N ILE A 169 14.641 10.866 -2.595 1.00 0.01 N ATOM 2670 CA ILE A 169 14.143 9.464 -2.496 1.00 0.01 C ATOM 2671 C ILE A 169 14.968 8.802 -1.380 1.00 0.01 C ATOM 2672 O ILE A 169 16.182 8.814 -1.421 1.00 0.01 O ATOM 2673 CB ILE A 169 14.371 8.779 -3.869 1.00 1.81 C ATOM 2674 CG1 ILE A 169 13.139 8.976 -4.766 1.00 2.75 C ATOM 2675 CG2 ILE A 169 14.631 7.281 -3.711 1.00 2.24 C ATOM 2676 CD1 ILE A 169 13.474 8.563 -6.201 1.00 3.99 C ATOM 0 H ILE A 169 15.627 10.973 -2.359 1.00 0.01 H new ATOM 0 HA ILE A 169 13.081 9.393 -2.260 1.00 0.01 H new ATOM 0 HB ILE A 169 15.247 9.241 -4.324 1.00 1.81 H new ATOM 0 HG12 ILE A 169 12.306 8.381 -4.391 1.00 2.75 H new ATOM 0 HG13 ILE A 169 12.823 10.019 -4.742 1.00 2.75 H new ATOM 0 HG21 ILE A 169 14.786 6.833 -4.693 1.00 2.24 H new ATOM 0 HG22 ILE A 169 15.519 7.129 -3.098 1.00 2.24 H new ATOM 0 HG23 ILE A 169 13.773 6.812 -3.230 1.00 2.24 H new ATOM 0 HD11 ILE A 169 12.598 8.704 -6.834 1.00 3.99 H new ATOM 0 HD12 ILE A 169 14.294 9.177 -6.574 1.00 3.99 H new ATOM 0 HD13 ILE A 169 13.769 7.514 -6.218 1.00 3.99 H new ATOM 2688 N GLN A 170 14.325 8.273 -0.355 1.00 0.01 N ATOM 2689 CA GLN A 170 15.085 7.668 0.795 1.00 0.01 C ATOM 2690 C GLN A 170 14.904 6.144 0.902 1.00 0.02 C ATOM 2691 O GLN A 170 15.670 5.501 1.591 1.00 0.01 O ATOM 2692 CB GLN A 170 14.605 8.322 2.100 1.00 2.62 C ATOM 2693 CG GLN A 170 15.197 9.731 2.227 1.00 3.39 C ATOM 2694 CD GLN A 170 14.922 10.528 0.948 1.00 4.36 C ATOM 2695 OE1 GLN A 170 13.824 10.506 0.428 1.00 4.83 O ATOM 2696 NE2 GLN A 170 15.882 11.234 0.416 1.00 5.17 N ATOM 0 H GLN A 170 13.310 8.235 -0.267 1.00 0.01 H new ATOM 0 HA GLN A 170 16.145 7.853 0.619 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.516 8.373 2.112 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.905 7.714 2.953 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.761 10.242 3.085 1.00 3.39 H new ATOM 0 HG3 GLN A 170 16.271 9.669 2.404 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.804 11.252 0.853 1.00 5.17 H new ATOM 0 HE22 GLN A 170 15.711 11.767 -0.436 1.00 5.17 H new ATOM 2705 N SER A 171 13.939 5.526 0.267 1.00 0.01 N ATOM 2706 CA SER A 171 13.823 4.036 0.428 1.00 0.01 C ATOM 2707 C SER A 171 13.084 3.437 -0.772 1.00 0.01 C ATOM 2708 O SER A 171 12.360 4.117 -1.471 1.00 0.01 O ATOM 2709 CB SER A 171 13.051 3.725 1.712 1.00 0.01 C ATOM 2710 OG SER A 171 12.668 2.356 1.709 1.00 0.02 O ATOM 0 H SER A 171 13.246 5.967 -0.338 1.00 0.01 H new ATOM 0 HA SER A 171 14.821 3.601 0.485 1.00 0.01 H new ATOM 0 HB2 SER A 171 13.670 3.940 2.583 1.00 0.01 H new ATOM 0 HB3 SER A 171 12.169 4.361 1.783 1.00 0.01 H new ATOM 0 HG SER A 171 11.998 2.202 2.407 1.00 0.02 H new ATOM 2716 N PHE A 172 13.245 2.155 -1.009 1.00 0.01 N ATOM 2717 CA PHE A 172 12.529 1.519 -2.159 1.00 0.01 C ATOM 2718 C PHE A 172 12.296 0.030 -1.894 1.00 0.01 C ATOM 2719 O PHE A 172 13.009 -0.602 -1.131 1.00 0.01 O ATOM 2720 CB PHE A 172 13.332 1.703 -3.454 1.00 1.06 C ATOM 2721 CG PHE A 172 14.686 1.032 -3.364 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.794 -0.359 -3.495 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.839 1.808 -3.178 1.00 1.29 C ATOM 2724 CE1 PHE A 172 16.052 -0.972 -3.433 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.096 1.194 -3.122 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.201 -0.195 -3.248 1.00 1.92 C ATOM 0 H PHE A 172 13.835 1.529 -0.461 1.00 0.01 H new ATOM 0 HA PHE A 172 11.561 2.007 -2.271 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.773 1.287 -4.293 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.464 2.766 -3.654 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.908 -0.958 -3.644 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.757 2.880 -3.078 1.00 1.29 H new ATOM 0 HE1 PHE A 172 16.135 -2.045 -3.528 1.00 1.16 H new ATOM 0 HE2 PHE A 172 17.984 1.793 -2.982 1.00 2.02 H new ATOM 0 HZ PHE A 172 18.171 -0.669 -3.202 1.00 1.92 H new ATOM 2736 N ARG A 173 11.278 -0.530 -2.507 1.00 0.01 N ATOM 2737 CA ARG A 173 10.958 -1.975 -2.289 1.00 0.01 C ATOM 2738 C ARG A 173 10.419 -2.597 -3.583 1.00 0.01 C ATOM 2739 O ARG A 173 9.779 -1.945 -4.391 1.00 0.01 O ATOM 2740 CB ARG A 173 9.872 -2.097 -1.215 1.00 0.01 C ATOM 2741 CG ARG A 173 10.454 -1.791 0.165 1.00 0.01 C ATOM 2742 CD ARG A 173 9.382 -2.049 1.227 1.00 0.01 C ATOM 2743 NE ARG A 173 8.336 -0.991 1.143 1.00 0.01 N ATOM 2744 CZ ARG A 173 7.188 -1.163 1.738 1.00 0.01 C ATOM 2745 NH1 ARG A 173 6.959 -2.259 2.408 1.00 0.01 N ATOM 2746 NH2 ARG A 173 6.269 -0.241 1.661 1.00 0.01 N ATOM 0 H ARG A 173 10.654 -0.044 -3.151 1.00 0.01 H new ATOM 0 HA ARG A 173 11.867 -2.491 -1.979 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.056 -1.409 -1.434 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.452 -3.103 -1.225 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.327 -2.416 0.352 1.00 0.01 H new ATOM 0 HG3 ARG A 173 10.788 -0.754 0.211 1.00 0.01 H new ATOM 0 HD2 ARG A 173 8.934 -3.031 1.076 1.00 0.01 H new ATOM 0 HD3 ARG A 173 9.832 -2.053 2.220 1.00 0.01 H new ATOM 0 HE ARG A 173 8.517 -0.134 0.621 1.00 0.01 H new ATOM 0 HH11 ARG A 173 7.677 -2.981 2.466 1.00 0.01 H new ATOM 0 HH12 ARG A 173 6.062 -2.394 2.874 1.00 0.01 H new ATOM 0 HH21 ARG A 173 6.448 0.615 1.135 1.00 0.01 H new ATOM 0 HH22 ARG A 173 5.371 -0.376 2.126 1.00 0.01 H new ATOM 2760 N ARG A 174 10.659 -3.870 -3.764 1.00 0.01 N ATOM 2761 CA ARG A 174 10.158 -4.575 -4.977 1.00 0.01 C ATOM 2762 C ARG A 174 8.745 -5.102 -4.704 1.00 0.01 C ATOM 2763 O ARG A 174 8.441 -5.554 -3.618 1.00 0.01 O ATOM 2764 CB ARG A 174 11.077 -5.754 -5.306 1.00 0.01 C ATOM 2765 CG ARG A 174 11.145 -6.701 -4.106 1.00 0.01 C ATOM 2766 CD ARG A 174 12.173 -7.800 -4.380 1.00 0.01 C ATOM 2767 NE ARG A 174 11.996 -8.901 -3.392 1.00 0.01 N ATOM 2768 CZ ARG A 174 12.547 -10.064 -3.608 1.00 0.01 C ATOM 2769 NH1 ARG A 174 13.254 -10.261 -4.686 1.00 0.01 N ATOM 2770 NH2 ARG A 174 12.393 -11.030 -2.744 1.00 0.01 N ATOM 0 H ARG A 174 11.186 -4.455 -3.116 1.00 0.01 H new ATOM 0 HA ARG A 174 10.142 -3.882 -5.818 1.00 0.01 H new ATOM 0 HB2 ARG A 174 10.704 -6.286 -6.181 1.00 0.01 H new ATOM 0 HB3 ARG A 174 12.075 -5.392 -5.554 1.00 0.01 H new ATOM 0 HG2 ARG A 174 11.419 -6.148 -3.208 1.00 0.01 H new ATOM 0 HG3 ARG A 174 10.166 -7.142 -3.922 1.00 0.01 H new ATOM 0 HD2 ARG A 174 12.051 -8.183 -5.393 1.00 0.01 H new ATOM 0 HD3 ARG A 174 13.182 -7.394 -4.312 1.00 0.01 H new ATOM 0 HE ARG A 174 11.445 -8.746 -2.548 1.00 0.01 H new ATOM 0 HH11 ARG A 174 13.376 -9.506 -5.361 1.00 0.01 H new ATOM 0 HH12 ARG A 174 13.685 -11.170 -4.854 1.00 0.01 H new ATOM 0 HH21 ARG A 174 11.842 -10.876 -1.900 1.00 0.01 H new ATOM 0 HH22 ARG A 174 12.824 -11.939 -2.913 1.00 0.01 H new ATOM 2784 N ILE A 175 7.887 -5.070 -5.690 1.00 0.01 N ATOM 2785 CA ILE A 175 6.499 -5.595 -5.486 1.00 0.01 C ATOM 2786 C ILE A 175 6.445 -7.054 -5.945 1.00 0.00 C ATOM 2787 O ILE A 175 6.872 -7.382 -7.035 1.00 0.01 O ATOM 2788 CB ILE A 175 5.484 -4.775 -6.292 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.809 -3.283 -6.174 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.076 -5.029 -5.745 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.719 -2.468 -6.880 1.00 3.04 C ATOM 0 H ILE A 175 8.083 -4.706 -6.623 1.00 0.01 H new ATOM 0 HA ILE A 175 6.247 -5.520 -4.428 1.00 0.01 H new ATOM 0 HB ILE A 175 5.533 -5.074 -7.339 1.00 1.52 H new ATOM 0 HG12 ILE A 175 5.872 -2.995 -5.125 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.781 -3.075 -6.621 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.353 -4.447 -6.317 1.00 1.75 H new ATOM 0 HG22 ILE A 175 3.838 -6.089 -5.831 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.034 -4.732 -4.697 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.948 -1.406 -6.797 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.678 -2.750 -7.932 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.755 -2.669 -6.413 1.00 3.04 H new ATOM 2803 N VAL A 176 5.929 -7.936 -5.126 1.00 0.01 N ATOM 2804 CA VAL A 176 5.850 -9.380 -5.515 1.00 0.00 C ATOM 2805 C VAL A 176 4.479 -9.939 -5.130 1.00 0.01 C ATOM 2806 O VAL A 176 3.887 -9.538 -4.149 1.00 0.00 O ATOM 2807 CB VAL A 176 6.928 -10.170 -4.772 1.00 1.38 C ATOM 2808 CG1 VAL A 176 8.301 -9.823 -5.349 1.00 1.88 C ATOM 2809 CG2 VAL A 176 6.894 -9.805 -3.286 1.00 1.89 C ATOM 0 H VAL A 176 5.557 -7.719 -4.201 1.00 0.01 H new ATOM 0 HA VAL A 176 5.999 -9.469 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 176 6.742 -11.238 -4.889 1.00 1.38 H new ATOM 0 HG11 VAL A 176 9.071 -10.385 -4.820 1.00 1.88 H new ATOM 0 HG12 VAL A 176 8.326 -10.080 -6.408 1.00 1.88 H new ATOM 0 HG13 VAL A 176 8.486 -8.755 -5.231 1.00 1.88 H new ATOM 0 HG21 VAL A 176 7.662 -10.368 -2.755 1.00 1.89 H new ATOM 0 HG22 VAL A 176 7.080 -8.737 -3.169 1.00 1.89 H new ATOM 0 HG23 VAL A 176 5.915 -10.050 -2.874 1.00 1.89 H new ATOM 2819 N GLU A 177 3.969 -10.863 -5.899 1.00 0.01 N ATOM 2820 CA GLU A 177 2.636 -11.453 -5.588 1.00 0.01 C ATOM 2821 C GLU A 177 2.560 -11.802 -4.099 1.00 0.01 C ATOM 2822 CB GLU A 177 2.427 -12.721 -6.422 1.00 2.15 C ATOM 2823 CG GLU A 177 3.637 -13.652 -6.275 1.00 3.19 C ATOM 2824 CD GLU A 177 4.789 -13.149 -7.148 1.00 4.20 C ATOM 2825 OE1 GLU A 177 4.705 -13.309 -8.354 1.00 4.89 O ATOM 2826 OE2 GLU A 177 5.735 -12.612 -6.595 1.00 4.77 O ATOM 0 H GLU A 177 4.421 -11.236 -6.734 1.00 0.01 H new ATOM 0 HA GLU A 177 1.858 -10.728 -5.829 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.522 -13.234 -6.098 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.286 -12.457 -7.470 1.00 2.15 H new ATOM 0 HG2 GLU A 177 3.951 -13.693 -5.232 1.00 3.19 H new ATOM 0 HG3 GLU A 177 3.364 -14.666 -6.566 1.00 3.19 H new TER 2833 GLU A 177