USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=45 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 127 HIS : no HE2:sc= -5.76! C(o=-5.4!,f=-11!) USER MOD Set 1.2: A 128 SER OG : rot 12:sc= 0.399 USER MOD Set 2.1: A 106 GLN : amide:sc= -2.63! C(o=-2.5!,f=-8.4!) USER MOD Set 2.2: A 108 TYR OH : rot -96:sc= 0.146 USER MOD Set 3.1: A 69 TYR OH : rot 180:sc= 0.899 USER MOD Set 3.2: A 70 GLN :FLIP amide:sc= 1.13 F(o=0.48!,f=2) USER MOD Set 4.1: A 49 TYR OH : rot 165:sc= 0 USER MOD Set 4.2: A 58 MET CE :methyl -157:sc= -0.169 (180deg=-1.17) USER MOD Single : A 1 SER N :NH3+ -168:sc= -0.0369 (180deg=-0.24) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.277 USER MOD Single : A 14 ASN : amide:sc= -0.714 X(o=-0.71,f=-1.2!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 20 TYR OH : rot 65:sc= 0.093 USER MOD Single : A 22 CYS SG : rot -115:sc= 0.526 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.25 USER MOD Single : A 26 CYS SG : rot 170:sc= -0.148 USER MOD Single : A 31 SER OG : rot 74:sc= 0.295 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 42:sc= -1.97 USER MOD Single : A 37 ASN : amide:sc= -2.8! C(o=-2.8!,f=-4.4!) USER MOD Single : A 38 SER OG : rot 61:sc= 0.218 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.4!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.262 USER MOD Single : A 57 HIS : no HD1:sc= -0.0652 X(o=-0.065,f=-0.075) USER MOD Single : A 59 TYR OH : rot 70:sc= -2.21 USER MOD Single : A 63 GLN : amide:sc= -1.04 X(o=-1,f=-0.78) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.99! C(o=-3.9!,f=-2!) USER MOD Single : A 81 SER OG : rot -176:sc= 0.985 USER MOD Single : A 82 CYS SG : rot 180:sc= -0.444 USER MOD Single : A 86 HIS : no HD1:sc= -0.0109 X(o=-0.011,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= -0.16 X(o=-0.16,f=-0.53) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 0.0123 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.49) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.31! C(o=-1.3!,f=-2!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0696 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 70:sc= -0.02 USER MOD Single : A 116 SER OG : rot 180:sc=0.000397 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.17) USER MOD Single : A 122 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-1.2!) USER MOD Single : A 129 CYS SG : rot 31:sc= 0.00422 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot -4:sc= -0.21! USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN :FLIP amide:sc= -0.157 F(o=-0.8,f=-0.16) USER MOD Single : A 144 TYR OH : rot 180:sc=-0.00345 USER MOD Single : A 148 GLN : amide:sc= -1.43 X(o=-1.4,f=-0.97) USER MOD Single : A 149 TYR OH : rot 0:sc= -2.49! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ -150:sc= -0.229 (180deg=-1.38!) USER MOD Single : A 166 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 170 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.8!) USER MOD Single : A 171 SER OG : rot -142:sc= -0.858 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.895 -10.492 -21.380 1.00 4.50 N ATOM 2 CA SER A 1 -10.150 -11.005 -21.999 1.00 4.52 C ATOM 3 C SER A 1 -10.736 -12.114 -21.124 1.00 3.57 C ATOM 4 O SER A 1 -11.928 -12.348 -21.114 1.00 3.03 O ATOM 5 CB SER A 1 -9.840 -11.563 -23.389 1.00 4.81 C ATOM 6 OG SER A 1 -9.101 -10.599 -24.128 1.00 5.28 O ATOM 0 H1 SER A 1 -8.607 -9.613 -21.856 1.00 4.50 H new ATOM 0 H2 SER A 1 -9.058 -10.302 -20.371 1.00 4.50 H new ATOM 0 H3 SER A 1 -8.142 -11.203 -21.481 1.00 4.50 H new ATOM 0 HA SER A 1 -10.871 -10.192 -22.085 1.00 4.52 H new ATOM 0 HB2 SER A 1 -9.270 -12.488 -23.303 1.00 4.81 H new ATOM 0 HB3 SER A 1 -10.766 -11.807 -23.911 1.00 4.81 H new ATOM 0 HG SER A 1 -8.899 -10.954 -25.019 1.00 5.28 H new ATOM 14 N LYS A 2 -9.907 -12.801 -20.386 1.00 3.60 N ATOM 15 CA LYS A 2 -10.417 -13.893 -19.512 1.00 3.08 C ATOM 16 C LYS A 2 -11.187 -13.284 -18.340 1.00 2.11 C ATOM 17 O LYS A 2 -12.008 -12.409 -18.528 1.00 2.12 O ATOM 18 CB LYS A 2 -9.234 -14.722 -19.002 1.00 3.28 C ATOM 19 CG LYS A 2 -8.285 -15.030 -20.162 1.00 3.95 C ATOM 20 CD LYS A 2 -7.316 -16.144 -19.753 1.00 4.66 C ATOM 21 CE LYS A 2 -6.411 -15.652 -18.622 1.00 5.66 C ATOM 22 NZ LYS A 2 -5.243 -16.568 -18.489 1.00 5.96 N ATOM 0 H LYS A 2 -8.898 -12.652 -20.351 1.00 3.60 H new ATOM 0 HA LYS A 2 -11.088 -14.542 -20.075 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -8.705 -14.176 -18.221 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -9.592 -15.650 -18.556 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -8.855 -15.334 -21.040 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -7.729 -14.134 -20.438 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -7.873 -17.023 -19.429 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -6.713 -16.447 -20.609 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -6.070 -14.638 -18.829 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -6.968 -15.616 -17.685 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -4.626 -16.235 -17.720 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -5.578 -17.529 -18.273 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -4.708 -16.581 -19.381 1.00 5.96 H new ATOM 36 N THR A 3 -10.910 -13.692 -17.128 1.00 1.72 N ATOM 37 CA THR A 3 -11.611 -13.070 -15.961 1.00 1.18 C ATOM 38 C THR A 3 -10.770 -11.880 -15.502 1.00 1.02 C ATOM 39 O THR A 3 -10.211 -11.182 -16.324 1.00 1.63 O ATOM 40 CB THR A 3 -11.779 -14.085 -14.826 1.00 1.48 C ATOM 41 OG1 THR A 3 -10.511 -14.625 -14.483 1.00 2.13 O ATOM 42 CG2 THR A 3 -12.709 -15.211 -15.280 1.00 2.22 C ATOM 0 H THR A 3 -10.236 -14.421 -16.896 1.00 1.72 H new ATOM 0 HA THR A 3 -12.610 -12.741 -16.248 1.00 1.18 H new ATOM 0 HB THR A 3 -12.210 -13.589 -13.956 1.00 1.48 H new ATOM 0 HG1 THR A 3 -10.617 -15.273 -13.756 1.00 2.13 H new ATOM 0 HG21 THR A 3 -12.828 -15.933 -14.472 1.00 2.22 H new ATOM 0 HG22 THR A 3 -13.682 -14.796 -15.542 1.00 2.22 H new ATOM 0 HG23 THR A 3 -12.281 -15.708 -16.150 1.00 2.22 H new ATOM 50 N GLY A 4 -10.644 -11.617 -14.229 1.00 0.52 N ATOM 51 CA GLY A 4 -9.801 -10.448 -13.848 1.00 0.30 C ATOM 52 C GLY A 4 -9.868 -10.135 -12.350 1.00 0.41 C ATOM 53 O GLY A 4 -10.485 -10.829 -11.565 1.00 0.81 O ATOM 0 H GLY A 4 -11.070 -12.138 -13.463 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -8.766 -10.645 -14.128 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -10.123 -9.573 -14.413 1.00 0.30 H new ATOM 57 N GLY A 5 -9.224 -9.062 -11.980 1.00 0.01 N ATOM 58 CA GLY A 5 -9.205 -8.616 -10.558 1.00 0.01 C ATOM 59 C GLY A 5 -10.510 -7.885 -10.236 1.00 0.01 C ATOM 60 O GLY A 5 -11.213 -7.435 -11.120 1.00 0.01 O ATOM 0 H GLY A 5 -8.699 -8.463 -12.618 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -9.084 -9.475 -9.898 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.354 -7.958 -10.383 1.00 0.01 H new ATOM 64 N LYS A 6 -10.848 -7.762 -8.977 1.00 0.00 N ATOM 65 CA LYS A 6 -12.115 -7.060 -8.609 1.00 0.01 C ATOM 66 C LYS A 6 -11.959 -6.353 -7.264 1.00 0.01 C ATOM 67 O LYS A 6 -11.428 -6.902 -6.309 1.00 0.00 O ATOM 68 CB LYS A 6 -13.274 -8.058 -8.534 1.00 0.02 C ATOM 69 CG LYS A 6 -14.536 -7.347 -8.036 1.00 0.02 C ATOM 70 CD LYS A 6 -15.764 -8.209 -8.337 1.00 0.02 C ATOM 71 CE LYS A 6 -15.588 -9.592 -7.702 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.905 -10.283 -7.650 1.00 0.02 N ATOM 0 H LYS A 6 -10.303 -8.116 -8.191 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.332 -6.319 -9.378 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.455 -8.495 -9.516 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.018 -8.878 -7.863 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.463 -7.163 -6.964 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.633 -6.376 -8.521 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -16.662 -7.730 -7.947 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -15.897 -8.306 -9.414 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -14.878 -10.182 -8.281 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.177 -9.493 -6.697 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.787 -11.222 -7.219 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -17.569 -9.721 -7.080 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -17.280 -10.389 -8.614 1.00 0.02 H new ATOM 86 N ILE A 7 -12.450 -5.135 -7.192 1.00 0.02 N ATOM 87 CA ILE A 7 -12.385 -4.336 -5.931 1.00 0.00 C ATOM 88 C ILE A 7 -13.775 -3.763 -5.634 1.00 0.02 C ATOM 89 O ILE A 7 -14.483 -3.336 -6.526 1.00 0.01 O ATOM 90 CB ILE A 7 -11.342 -3.222 -6.082 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.440 -2.256 -4.897 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.587 -2.458 -7.378 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.252 -1.292 -4.924 1.00 0.02 C ATOM 0 H ILE A 7 -12.901 -4.656 -7.972 1.00 0.02 H new ATOM 0 HA ILE A 7 -12.083 -4.967 -5.095 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.347 -3.668 -6.106 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.375 -1.698 -4.945 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.449 -2.813 -3.960 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.843 -1.668 -7.481 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.509 -3.141 -8.224 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.584 -2.018 -7.358 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.322 -0.605 -4.081 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.323 -1.858 -4.855 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.264 -0.726 -5.855 1.00 0.02 H new ATOM 105 N SER A 8 -14.165 -3.744 -4.379 1.00 0.02 N ATOM 106 CA SER A 8 -15.508 -3.192 -3.997 1.00 0.02 C ATOM 107 C SER A 8 -15.335 -2.036 -3.004 1.00 0.01 C ATOM 108 O SER A 8 -14.644 -2.155 -2.012 1.00 0.02 O ATOM 109 CB SER A 8 -16.359 -4.287 -3.347 1.00 0.30 C ATOM 110 OG SER A 8 -16.195 -5.501 -4.069 1.00 0.39 O ATOM 0 H SER A 8 -13.607 -4.089 -3.598 1.00 0.02 H new ATOM 0 HA SER A 8 -16.005 -2.830 -4.897 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.062 -4.426 -2.308 1.00 0.30 H new ATOM 0 HB3 SER A 8 -17.409 -3.993 -3.342 1.00 0.30 H new ATOM 0 HG SER A 8 -16.737 -6.204 -3.654 1.00 0.39 H new ATOM 116 N PHE A 9 -15.975 -0.918 -3.265 1.00 0.02 N ATOM 117 CA PHE A 9 -15.884 0.264 -2.345 1.00 0.01 C ATOM 118 C PHE A 9 -17.235 0.461 -1.639 1.00 0.01 C ATOM 119 O PHE A 9 -18.277 0.326 -2.252 1.00 0.02 O ATOM 120 CB PHE A 9 -15.554 1.520 -3.164 1.00 0.02 C ATOM 121 CG PHE A 9 -14.514 1.194 -4.212 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.883 0.491 -5.366 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.187 1.604 -4.037 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.924 0.196 -6.342 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.228 1.311 -5.015 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.597 0.607 -6.168 1.00 0.02 C ATOM 0 H PHE A 9 -16.563 -0.773 -4.086 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.103 0.093 -1.604 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.457 1.901 -3.642 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.185 2.307 -2.506 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.907 0.177 -5.503 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.903 2.146 -3.148 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -14.208 -0.349 -7.230 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.204 1.628 -4.880 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.858 0.381 -6.923 1.00 0.02 H new ATOM 136 N TYR A 10 -17.229 0.773 -0.359 1.00 0.02 N ATOM 137 CA TYR A 10 -18.516 0.970 0.391 1.00 0.01 C ATOM 138 C TYR A 10 -18.550 2.376 1.005 1.00 0.02 C ATOM 139 O TYR A 10 -17.553 2.885 1.495 1.00 0.01 O ATOM 140 CB TYR A 10 -18.618 -0.064 1.521 1.00 0.02 C ATOM 141 CG TYR A 10 -18.253 -1.438 1.004 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.920 -1.747 0.707 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.249 -2.409 0.832 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.584 -3.022 0.236 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.911 -3.683 0.362 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.579 -3.989 0.065 1.00 0.00 C ATOM 147 OH TYR A 10 -17.248 -5.246 -0.399 1.00 0.02 O ATOM 0 H TYR A 10 -16.385 0.900 0.199 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.350 0.849 -0.301 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -17.953 0.213 2.339 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.631 -0.076 1.923 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.150 -1.001 0.841 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.278 -2.174 1.062 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.556 -3.258 0.005 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.679 -4.430 0.229 1.00 0.02 H new ATOM 0 HH TYR A 10 -18.057 -5.796 -0.459 1.00 0.02 H new ATOM 157 N GLU A 11 -19.686 3.026 0.952 1.00 0.00 N ATOM 158 CA GLU A 11 -19.784 4.412 1.494 1.00 0.02 C ATOM 159 C GLU A 11 -19.677 4.436 3.018 1.00 0.03 C ATOM 160 O GLU A 11 -19.235 5.418 3.581 1.00 0.03 O ATOM 161 CB GLU A 11 -21.128 5.021 1.093 1.00 0.00 C ATOM 162 CG GLU A 11 -21.205 5.121 -0.424 1.00 0.00 C ATOM 163 CD GLU A 11 -22.443 5.926 -0.820 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.492 5.682 -0.248 1.00 0.02 O ATOM 165 OE2 GLU A 11 -22.320 6.775 -1.688 1.00 0.01 O ATOM 0 H GLU A 11 -20.549 2.654 0.556 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.956 4.986 1.080 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.945 4.406 1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.240 6.009 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.307 5.600 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.251 4.124 -0.863 1.00 0.00 H new ATOM 172 N ASP A 12 -20.072 3.388 3.703 1.00 0.02 N ATOM 173 CA ASP A 12 -19.981 3.388 5.198 1.00 0.01 C ATOM 174 C ASP A 12 -18.967 2.342 5.665 1.00 0.02 C ATOM 175 O ASP A 12 -18.502 1.516 4.906 1.00 0.02 O ATOM 176 CB ASP A 12 -21.347 3.050 5.798 1.00 0.01 C ATOM 177 CG ASP A 12 -22.397 4.025 5.264 1.00 0.01 C ATOM 178 OD1 ASP A 12 -22.009 5.063 4.755 1.00 0.02 O ATOM 179 OD2 ASP A 12 -23.573 3.716 5.371 1.00 0.03 O ATOM 0 H ASP A 12 -20.452 2.535 3.292 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.663 4.377 5.527 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -21.624 2.027 5.544 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.302 3.108 6.886 1.00 0.01 H new ATOM 184 N ARG A 13 -18.627 2.391 6.920 1.00 0.02 N ATOM 185 CA ARG A 13 -17.641 1.426 7.486 1.00 0.02 C ATOM 186 C ARG A 13 -18.296 0.054 7.663 1.00 0.00 C ATOM 187 O ARG A 13 -19.501 -0.071 7.752 1.00 0.02 O ATOM 188 CB ARG A 13 -17.182 1.951 8.846 1.00 0.00 C ATOM 189 CG ARG A 13 -16.423 3.268 8.654 1.00 0.01 C ATOM 190 CD ARG A 13 -16.274 3.976 10.003 1.00 0.02 C ATOM 191 NE ARG A 13 -15.752 3.015 11.014 1.00 0.03 N ATOM 192 CZ ARG A 13 -15.273 3.457 12.144 1.00 0.02 C ATOM 193 NH1 ARG A 13 -15.254 4.740 12.386 1.00 0.02 N ATOM 194 NH2 ARG A 13 -14.812 2.618 13.030 1.00 0.02 N ATOM 0 H ARG A 13 -18.994 3.068 7.589 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.791 1.324 6.811 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -18.042 2.106 9.497 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.541 1.217 9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.441 3.074 8.223 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.958 3.909 7.953 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -15.596 4.824 9.908 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -17.237 4.373 10.326 1.00 0.02 H new ATOM 0 HE ARG A 13 -15.769 2.013 10.823 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -15.613 5.395 11.692 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -14.880 5.087 13.269 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -14.826 1.616 12.839 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -14.437 2.964 13.913 1.00 0.02 H new ATOM 208 N ASN A 14 -17.487 -0.974 7.728 1.00 0.02 N ATOM 209 CA ASN A 14 -18.005 -2.361 7.919 1.00 0.02 C ATOM 210 C ASN A 14 -18.814 -2.824 6.701 1.00 0.02 C ATOM 211 O ASN A 14 -19.746 -3.598 6.804 1.00 0.02 O ATOM 212 CB ASN A 14 -18.865 -2.408 9.190 1.00 0.26 C ATOM 213 CG ASN A 14 -18.977 -3.851 9.691 1.00 0.12 C ATOM 214 OD1 ASN A 14 -18.931 -4.783 8.912 1.00 0.74 O ATOM 215 ND2 ASN A 14 -19.129 -4.075 10.968 1.00 0.46 N ATOM 0 H ASN A 14 -16.472 -0.908 7.655 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.160 -3.041 8.026 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -18.422 -1.779 9.962 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -19.857 -2.008 8.983 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -19.209 -5.032 11.312 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -19.168 -3.293 11.622 1.00 0.46 H new ATOM 222 N PHE A 15 -18.413 -2.375 5.540 1.00 0.02 N ATOM 223 CA PHE A 15 -19.085 -2.794 4.271 1.00 0.02 C ATOM 224 C PHE A 15 -20.589 -2.504 4.315 1.00 0.00 C ATOM 225 O PHE A 15 -21.398 -3.301 3.880 1.00 0.02 O ATOM 226 CB PHE A 15 -18.851 -4.303 4.053 1.00 0.02 C ATOM 227 CG PHE A 15 -17.545 -4.712 4.701 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.328 -4.383 4.094 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.556 -5.412 5.914 1.00 0.02 C ATOM 230 CE1 PHE A 15 -15.121 -4.754 4.699 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.351 -5.781 6.520 1.00 0.02 C ATOM 232 CZ PHE A 15 -15.133 -5.454 5.913 1.00 0.02 C ATOM 0 H PHE A 15 -17.636 -1.726 5.415 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.658 -2.223 3.446 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.675 -4.875 4.480 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -18.826 -4.527 2.987 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.320 -3.843 3.159 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.496 -5.667 6.382 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.181 -4.501 4.230 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.360 -6.318 7.457 1.00 0.02 H new ATOM 0 HZ PHE A 15 -14.203 -5.741 6.380 1.00 0.02 H new ATOM 242 N GLN A 16 -20.962 -1.356 4.819 1.00 0.02 N ATOM 243 CA GLN A 16 -22.406 -0.971 4.883 1.00 0.02 C ATOM 244 C GLN A 16 -22.630 0.219 3.945 1.00 0.02 C ATOM 245 O GLN A 16 -21.690 0.852 3.504 1.00 0.02 O ATOM 246 CB GLN A 16 -22.760 -0.559 6.316 1.00 0.02 C ATOM 247 CG GLN A 16 -22.913 -1.809 7.184 1.00 0.00 C ATOM 248 CD GLN A 16 -23.186 -1.398 8.632 1.00 0.00 C ATOM 249 OE1 GLN A 16 -22.269 -1.133 9.383 1.00 0.02 O ATOM 250 NE2 GLN A 16 -24.418 -1.333 9.057 1.00 0.02 N ATOM 0 H GLN A 16 -20.319 -0.659 5.194 1.00 0.02 H new ATOM 0 HA GLN A 16 -23.033 -1.811 4.585 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -21.981 0.086 6.723 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.686 0.016 6.322 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -23.730 -2.426 6.810 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.008 -2.414 7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -25.188 -1.556 8.426 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -24.611 -1.059 10.020 1.00 0.02 H new ATOM 259 N GLY A 17 -23.860 0.537 3.633 1.00 0.03 N ATOM 260 CA GLY A 17 -24.121 1.697 2.727 1.00 0.03 C ATOM 261 C GLY A 17 -24.121 1.257 1.258 1.00 0.02 C ATOM 262 O GLY A 17 -24.141 0.082 0.948 1.00 0.02 O ATOM 0 H GLY A 17 -24.691 0.047 3.964 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.082 2.148 2.975 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.360 2.462 2.881 1.00 0.03 H new ATOM 266 N ARG A 18 -24.086 2.200 0.356 1.00 0.00 N ATOM 267 CA ARG A 18 -24.070 1.862 -1.098 1.00 0.02 C ATOM 268 C ARG A 18 -22.732 1.208 -1.451 1.00 0.02 C ATOM 269 O ARG A 18 -21.694 1.575 -0.933 1.00 0.02 O ATOM 270 CB ARG A 18 -24.246 3.147 -1.910 1.00 0.79 C ATOM 271 CG ARG A 18 -24.596 2.795 -3.357 1.00 1.49 C ATOM 272 CD ARG A 18 -24.914 4.074 -4.133 1.00 1.42 C ATOM 273 NE ARG A 18 -26.099 4.745 -3.524 1.00 2.07 N ATOM 274 CZ ARG A 18 -26.371 5.986 -3.821 1.00 2.35 C ATOM 275 NH1 ARG A 18 -25.607 6.641 -4.650 1.00 2.53 N ATOM 276 NH2 ARG A 18 -27.407 6.575 -3.287 1.00 2.76 N ATOM 0 H ARG A 18 -24.068 3.198 0.565 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.880 1.170 -1.328 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -25.034 3.760 -1.473 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.330 3.737 -1.880 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.764 2.270 -3.826 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.452 2.121 -3.381 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -24.055 4.745 -4.117 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -25.114 3.838 -5.178 1.00 1.42 H new ATOM 0 HE ARG A 18 -26.697 4.233 -2.875 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -24.796 6.183 -5.067 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -25.820 7.611 -4.882 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -28.005 6.065 -2.637 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -27.618 7.545 -3.520 1.00 2.76 H new ATOM 290 N ARG A 19 -22.756 0.222 -2.320 1.00 0.02 N ATOM 291 CA ARG A 19 -21.500 -0.496 -2.709 1.00 0.02 C ATOM 292 C ARG A 19 -21.276 -0.394 -4.221 1.00 0.02 C ATOM 293 O ARG A 19 -22.207 -0.332 -4.999 1.00 0.02 O ATOM 294 CB ARG A 19 -21.653 -1.973 -2.337 1.00 0.85 C ATOM 295 CG ARG A 19 -20.314 -2.697 -2.503 1.00 1.31 C ATOM 296 CD ARG A 19 -20.518 -4.206 -2.334 1.00 1.34 C ATOM 297 NE ARG A 19 -21.049 -4.780 -3.602 1.00 1.50 N ATOM 298 CZ ARG A 19 -21.029 -6.072 -3.794 1.00 1.63 C ATOM 299 NH1 ARG A 19 -20.545 -6.860 -2.873 1.00 1.72 N ATOM 300 NH2 ARG A 19 -21.494 -6.574 -4.905 1.00 1.89 N ATOM 0 H ARG A 19 -23.601 -0.118 -2.780 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.652 -0.048 -2.191 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -21.999 -2.063 -1.307 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.409 -2.439 -2.969 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.895 -2.485 -3.486 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.599 -2.332 -1.766 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -19.574 -4.684 -2.073 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -21.211 -4.401 -1.516 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.428 -4.164 -4.321 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -20.183 -6.467 -2.004 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -20.529 -7.869 -3.022 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -21.873 -5.958 -5.624 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -21.478 -7.583 -5.055 1.00 1.89 H new ATOM 314 N TYR A 20 -20.035 -0.403 -4.634 1.00 0.02 N ATOM 315 CA TYR A 20 -19.705 -0.342 -6.095 1.00 0.02 C ATOM 316 C TYR A 20 -18.630 -1.380 -6.396 1.00 0.02 C ATOM 317 O TYR A 20 -17.618 -1.430 -5.735 1.00 0.02 O ATOM 318 CB TYR A 20 -19.178 1.043 -6.459 1.00 0.02 C ATOM 319 CG TYR A 20 -19.014 1.144 -7.960 1.00 0.01 C ATOM 320 CD1 TYR A 20 -20.143 1.101 -8.788 1.00 0.02 C ATOM 321 CD2 TYR A 20 -17.739 1.281 -8.524 1.00 0.01 C ATOM 322 CE1 TYR A 20 -19.997 1.198 -10.177 1.00 0.02 C ATOM 323 CE2 TYR A 20 -17.594 1.378 -9.913 1.00 0.02 C ATOM 324 CZ TYR A 20 -18.722 1.335 -10.739 1.00 0.02 C ATOM 325 OH TYR A 20 -18.578 1.430 -12.108 1.00 0.01 O ATOM 0 H TYR A 20 -19.225 -0.451 -4.016 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.604 -0.543 -6.678 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.867 1.810 -6.106 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.223 1.221 -5.966 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -21.126 0.993 -8.355 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -16.867 1.312 -7.887 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -20.868 1.167 -10.815 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -16.611 1.486 -10.347 1.00 0.02 H new ATOM 0 HH TYR A 20 -19.004 2.253 -12.425 1.00 0.01 H new ATOM 335 N ASP A 21 -18.839 -2.204 -7.390 1.00 0.01 N ATOM 336 CA ASP A 21 -17.830 -3.252 -7.748 1.00 0.02 C ATOM 337 C ASP A 21 -17.192 -2.896 -9.089 1.00 0.00 C ATOM 338 O ASP A 21 -17.862 -2.492 -10.020 1.00 0.01 O ATOM 339 CB ASP A 21 -18.544 -4.599 -7.867 1.00 0.12 C ATOM 340 CG ASP A 21 -19.678 -4.487 -8.889 1.00 0.41 C ATOM 341 OD1 ASP A 21 -20.449 -3.546 -8.788 1.00 1.12 O ATOM 342 OD2 ASP A 21 -19.757 -5.345 -9.754 1.00 0.56 O ATOM 0 H ASP A 21 -19.674 -2.197 -7.976 1.00 0.01 H new ATOM 0 HA ASP A 21 -17.057 -3.307 -6.981 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -17.838 -5.371 -8.174 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -18.942 -4.899 -6.898 1.00 0.12 H new ATOM 347 N CYS A 22 -15.889 -3.035 -9.185 1.00 0.01 N ATOM 348 CA CYS A 22 -15.174 -2.699 -10.458 1.00 0.00 C ATOM 349 C CYS A 22 -14.274 -3.868 -10.860 1.00 0.02 C ATOM 350 O CYS A 22 -13.614 -4.474 -10.037 1.00 0.01 O ATOM 351 CB CYS A 22 -14.329 -1.443 -10.236 1.00 0.00 C ATOM 352 SG CYS A 22 -13.780 -0.793 -11.834 1.00 0.02 S ATOM 0 H CYS A 22 -15.288 -3.369 -8.431 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.896 -2.516 -11.254 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.911 -0.689 -9.706 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.467 -1.678 -9.611 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.486 -0.881 -11.917 1.00 0.02 H new ATOM 358 N ASP A 23 -14.255 -4.193 -12.130 1.00 0.01 N ATOM 359 CA ASP A 23 -13.415 -5.329 -12.628 1.00 0.02 C ATOM 360 C ASP A 23 -12.356 -4.802 -13.601 1.00 0.00 C ATOM 361 O ASP A 23 -11.700 -5.561 -14.286 1.00 0.02 O ATOM 362 CB ASP A 23 -14.313 -6.337 -13.349 1.00 0.16 C ATOM 363 CG ASP A 23 -15.216 -5.601 -14.340 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.275 -5.154 -13.928 1.00 0.17 O ATOM 365 OD2 ASP A 23 -14.836 -5.497 -15.495 1.00 0.20 O ATOM 0 H ASP A 23 -14.793 -3.714 -12.852 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.919 -5.812 -11.786 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -13.703 -7.073 -13.874 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -14.919 -6.883 -12.625 1.00 0.16 H new ATOM 370 N CYS A 24 -12.174 -3.507 -13.664 1.00 0.01 N ATOM 371 CA CYS A 24 -11.149 -2.937 -14.585 1.00 0.01 C ATOM 372 C CYS A 24 -10.790 -1.529 -14.103 1.00 0.01 C ATOM 373 O CYS A 24 -11.387 -1.019 -13.176 1.00 0.01 O ATOM 374 CB CYS A 24 -11.713 -2.873 -16.008 1.00 0.62 C ATOM 375 SG CYS A 24 -10.403 -2.383 -17.156 1.00 1.23 S ATOM 0 H CYS A 24 -12.693 -2.821 -13.116 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.258 -3.565 -14.589 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -12.117 -3.844 -16.294 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -12.536 -2.159 -16.053 1.00 0.62 H new ATOM 0 HG CYS A 24 -10.881 -2.331 -18.364 1.00 1.23 H new ATOM 381 N ASP A 25 -9.822 -0.891 -14.705 1.00 0.02 N ATOM 382 CA ASP A 25 -9.441 0.480 -14.255 1.00 0.01 C ATOM 383 C ASP A 25 -10.629 1.432 -14.413 1.00 0.02 C ATOM 384 O ASP A 25 -11.387 1.340 -15.356 1.00 0.00 O ATOM 385 CB ASP A 25 -8.283 0.988 -15.118 1.00 0.01 C ATOM 386 CG ASP A 25 -8.609 0.765 -16.595 1.00 0.01 C ATOM 387 OD1 ASP A 25 -9.334 1.573 -17.150 1.00 0.01 O ATOM 388 OD2 ASP A 25 -8.126 -0.212 -17.147 1.00 0.01 O ATOM 0 H ASP A 25 -9.280 -1.258 -15.487 1.00 0.02 H new ATOM 0 HA ASP A 25 -9.143 0.442 -13.207 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -8.113 2.048 -14.929 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.363 0.465 -14.855 1.00 0.01 H new ATOM 393 N CYS A 26 -10.777 2.366 -13.502 1.00 0.01 N ATOM 394 CA CYS A 26 -11.899 3.358 -13.593 1.00 0.01 C ATOM 395 C CYS A 26 -11.327 4.762 -13.381 1.00 0.01 C ATOM 396 O CYS A 26 -10.773 5.067 -12.341 1.00 0.01 O ATOM 397 CB CYS A 26 -12.955 3.056 -12.526 1.00 0.01 C ATOM 398 SG CYS A 26 -14.453 4.013 -12.869 1.00 0.02 S ATOM 0 H CYS A 26 -10.165 2.485 -12.694 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.371 3.294 -14.573 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.185 1.991 -12.519 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.570 3.306 -11.537 1.00 0.01 H new ATOM 0 HG CYS A 26 -15.416 3.602 -12.099 1.00 0.02 H new ATOM 404 N ALA A 27 -11.421 5.610 -14.372 1.00 0.01 N ATOM 405 CA ALA A 27 -10.843 6.978 -14.240 1.00 0.01 C ATOM 406 C ALA A 27 -11.754 7.889 -13.417 1.00 0.01 C ATOM 407 O ALA A 27 -11.309 8.856 -12.834 1.00 0.02 O ATOM 408 CB ALA A 27 -10.647 7.582 -15.632 1.00 0.24 C ATOM 0 H ALA A 27 -11.873 5.414 -15.265 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.886 6.896 -13.725 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -10.224 8.582 -15.538 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.968 6.954 -16.209 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.609 7.641 -16.142 1.00 0.24 H new ATOM 414 N ASP A 28 -13.027 7.603 -13.369 1.00 0.01 N ATOM 415 CA ASP A 28 -13.958 8.466 -12.582 1.00 0.02 C ATOM 416 C ASP A 28 -15.164 7.632 -12.143 1.00 0.01 C ATOM 417 O ASP A 28 -16.070 7.375 -12.912 1.00 0.02 O ATOM 418 CB ASP A 28 -14.430 9.636 -13.448 1.00 0.67 C ATOM 419 CG ASP A 28 -15.170 10.651 -12.575 1.00 0.90 C ATOM 420 OD1 ASP A 28 -14.540 11.223 -11.702 1.00 0.87 O ATOM 421 OD2 ASP A 28 -16.356 10.837 -12.795 1.00 1.14 O ATOM 0 H ASP A 28 -13.463 6.810 -13.840 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.443 8.856 -11.704 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -13.577 10.111 -13.933 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -15.086 9.275 -14.240 1.00 0.67 H new ATOM 426 N PHE A 29 -15.178 7.217 -10.902 1.00 0.02 N ATOM 427 CA PHE A 29 -16.316 6.401 -10.369 1.00 0.02 C ATOM 428 C PHE A 29 -17.210 7.274 -9.476 1.00 0.00 C ATOM 429 O PHE A 29 -18.082 6.800 -8.772 1.00 0.02 O ATOM 430 CB PHE A 29 -15.765 5.205 -9.581 1.00 2.87 C ATOM 431 CG PHE A 29 -15.210 5.662 -8.253 1.00 3.99 C ATOM 432 CD1 PHE A 29 -13.948 6.260 -8.191 1.00 4.52 C ATOM 433 CD2 PHE A 29 -15.960 5.481 -7.086 1.00 4.68 C ATOM 434 CE1 PHE A 29 -13.435 6.677 -6.959 1.00 5.75 C ATOM 435 CE2 PHE A 29 -15.447 5.899 -5.855 1.00 5.85 C ATOM 436 CZ PHE A 29 -14.184 6.496 -5.790 1.00 6.37 C ATOM 0 H PHE A 29 -14.440 7.411 -10.225 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.917 6.027 -11.198 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -16.556 4.472 -9.419 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -14.984 4.710 -10.158 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -13.370 6.400 -9.093 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -16.935 5.019 -7.136 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -12.460 7.139 -6.909 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -16.026 5.761 -4.954 1.00 5.85 H new ATOM 0 HZ PHE A 29 -13.787 6.817 -4.839 1.00 6.37 H new ATOM 446 N ARG A 30 -16.962 8.557 -9.484 1.00 0.01 N ATOM 447 CA ARG A 30 -17.747 9.494 -8.631 1.00 0.00 C ATOM 448 C ARG A 30 -19.240 9.427 -8.965 1.00 0.01 C ATOM 449 O ARG A 30 -20.075 9.746 -8.142 1.00 0.02 O ATOM 450 CB ARG A 30 -17.252 10.925 -8.858 1.00 0.32 C ATOM 451 CG ARG A 30 -15.765 11.012 -8.515 1.00 0.86 C ATOM 452 CD ARG A 30 -15.319 12.475 -8.548 1.00 1.62 C ATOM 453 NE ARG A 30 -15.779 13.107 -9.816 1.00 2.25 N ATOM 454 CZ ARG A 30 -15.782 14.408 -9.930 1.00 2.70 C ATOM 455 NH1 ARG A 30 -15.382 15.150 -8.935 1.00 3.11 N ATOM 456 NH2 ARG A 30 -16.185 14.965 -11.039 1.00 3.02 N ATOM 0 H ARG A 30 -16.240 9.000 -10.052 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.608 9.203 -7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.414 11.217 -9.896 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.820 11.620 -8.239 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.583 10.587 -7.528 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.182 10.427 -9.226 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -15.730 13.011 -7.692 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -14.233 12.537 -8.471 1.00 1.62 H new ATOM 0 HE ARG A 30 -16.091 12.525 -10.593 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -15.067 14.714 -8.068 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -15.384 16.166 -9.024 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -16.498 14.384 -11.817 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -16.187 15.981 -11.128 1.00 3.02 H new ATOM 470 N SER A 31 -19.595 9.037 -10.159 1.00 0.02 N ATOM 471 CA SER A 31 -21.041 8.981 -10.521 1.00 0.02 C ATOM 472 C SER A 31 -21.706 7.780 -9.848 1.00 0.01 C ATOM 473 O SER A 31 -22.916 7.690 -9.777 1.00 0.02 O ATOM 474 CB SER A 31 -21.175 8.851 -12.038 1.00 0.37 C ATOM 475 OG SER A 31 -20.420 7.731 -12.481 1.00 0.88 O ATOM 0 H SER A 31 -18.950 8.756 -10.897 1.00 0.02 H new ATOM 0 HA SER A 31 -21.531 9.894 -10.182 1.00 0.02 H new ATOM 0 HB2 SER A 31 -22.223 8.730 -12.313 1.00 0.37 H new ATOM 0 HB3 SER A 31 -20.820 9.759 -12.525 1.00 0.37 H new ATOM 0 HG SER A 31 -20.884 6.905 -12.232 1.00 0.88 H new ATOM 481 N TYR A 32 -20.923 6.849 -9.368 1.00 0.01 N ATOM 482 CA TYR A 32 -21.497 5.636 -8.710 1.00 0.01 C ATOM 483 C TYR A 32 -21.358 5.757 -7.194 1.00 0.02 C ATOM 484 O TYR A 32 -22.070 5.120 -6.447 1.00 0.02 O ATOM 485 CB TYR A 32 -20.726 4.404 -9.186 1.00 0.02 C ATOM 486 CG TYR A 32 -20.949 4.210 -10.666 1.00 0.02 C ATOM 487 CD1 TYR A 32 -22.106 3.566 -11.121 1.00 0.01 C ATOM 488 CD2 TYR A 32 -19.999 4.673 -11.585 1.00 0.01 C ATOM 489 CE1 TYR A 32 -22.314 3.384 -12.493 1.00 0.00 C ATOM 490 CE2 TYR A 32 -20.206 4.491 -12.958 1.00 0.02 C ATOM 491 CZ TYR A 32 -21.364 3.846 -13.412 1.00 0.02 C ATOM 492 OH TYR A 32 -21.569 3.667 -14.764 1.00 0.02 O ATOM 0 H TYR A 32 -19.904 6.877 -9.404 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.552 5.544 -8.970 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.662 4.526 -8.981 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -21.057 3.521 -8.639 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -22.839 3.209 -10.412 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -19.107 5.170 -11.235 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -23.207 2.887 -12.843 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -19.473 4.848 -13.667 1.00 0.02 H new ATOM 0 HH TYR A 32 -20.815 4.047 -15.262 1.00 0.02 H new ATOM 502 N LEU A 33 -20.445 6.570 -6.735 1.00 0.02 N ATOM 503 CA LEU A 33 -20.249 6.735 -5.259 1.00 0.02 C ATOM 504 C LEU A 33 -19.770 8.157 -4.965 1.00 0.02 C ATOM 505 O LEU A 33 -18.821 8.646 -5.545 1.00 0.02 O ATOM 506 CB LEU A 33 -19.154 5.775 -4.781 1.00 1.66 C ATOM 507 CG LEU A 33 -19.659 4.329 -4.769 1.00 2.38 C ATOM 508 CD1 LEU A 33 -18.499 3.414 -4.357 1.00 3.32 C ATOM 509 CD2 LEU A 33 -20.825 4.172 -3.768 1.00 2.80 C ATOM 0 H LEU A 33 -19.823 7.130 -7.318 1.00 0.02 H new ATOM 0 HA LEU A 33 -21.193 6.531 -4.753 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -18.285 5.855 -5.434 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.828 6.059 -3.780 1.00 1.66 H new ATOM 0 HG LEU A 33 -20.021 4.060 -5.762 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -18.840 2.379 -4.343 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -17.682 3.517 -5.072 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -18.149 3.695 -3.363 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -21.172 3.139 -3.772 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -20.483 4.436 -2.767 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -21.644 4.831 -4.057 1.00 2.80 H new ATOM 521 N SER A 34 -20.436 8.814 -4.054 1.00 0.02 N ATOM 522 CA SER A 34 -20.053 10.204 -3.688 1.00 0.02 C ATOM 523 C SER A 34 -18.941 10.171 -2.638 1.00 0.00 C ATOM 524 O SER A 34 -18.344 11.179 -2.319 1.00 0.01 O ATOM 525 CB SER A 34 -21.271 10.931 -3.117 1.00 0.02 C ATOM 526 OG SER A 34 -21.582 10.394 -1.839 1.00 0.02 O ATOM 0 H SER A 34 -21.237 8.441 -3.544 1.00 0.02 H new ATOM 0 HA SER A 34 -19.696 10.728 -4.575 1.00 0.02 H new ATOM 0 HB2 SER A 34 -21.067 11.999 -3.036 1.00 0.02 H new ATOM 0 HB3 SER A 34 -22.123 10.820 -3.788 1.00 0.02 H new ATOM 0 HG SER A 34 -22.361 10.859 -1.470 1.00 0.02 H new ATOM 532 N ARG A 35 -18.653 9.012 -2.100 1.00 0.02 N ATOM 533 CA ARG A 35 -17.581 8.886 -1.075 1.00 0.01 C ATOM 534 C ARG A 35 -17.354 7.392 -0.814 1.00 0.02 C ATOM 535 O ARG A 35 -18.190 6.570 -1.128 1.00 0.02 O ATOM 536 CB ARG A 35 -18.018 9.578 0.220 1.00 0.02 C ATOM 537 CG ARG A 35 -16.802 9.777 1.128 1.00 0.02 C ATOM 538 CD ARG A 35 -17.235 10.489 2.410 1.00 0.02 C ATOM 539 NE ARG A 35 -18.041 11.693 2.062 1.00 0.02 N ATOM 540 CZ ARG A 35 -18.761 12.284 2.978 1.00 0.02 C ATOM 541 NH1 ARG A 35 -18.774 11.819 4.198 1.00 0.00 N ATOM 542 NH2 ARG A 35 -19.467 13.340 2.676 1.00 0.02 N ATOM 0 H ARG A 35 -19.124 8.138 -2.333 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.662 9.355 -1.425 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -18.477 10.540 -0.006 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -18.771 8.977 0.730 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -16.353 8.814 1.368 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -16.042 10.364 0.612 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -17.821 9.814 3.033 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -16.360 10.780 2.991 1.00 0.02 H new ATOM 0 HE ARG A 35 -18.031 12.056 1.109 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -18.222 10.995 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -19.336 12.280 4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.457 13.705 1.724 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -20.029 13.800 3.393 1.00 0.02 H new ATOM 556 N CYS A 36 -16.240 7.030 -0.232 1.00 0.02 N ATOM 557 CA CYS A 36 -15.965 5.587 0.062 1.00 0.02 C ATOM 558 C CYS A 36 -15.252 5.495 1.413 1.00 0.02 C ATOM 559 O CYS A 36 -14.159 6.004 1.561 1.00 0.02 O ATOM 560 CB CYS A 36 -15.066 5.009 -1.033 1.00 0.02 C ATOM 561 SG CYS A 36 -13.772 6.207 -1.438 1.00 0.02 S ATOM 0 H CYS A 36 -15.503 7.674 0.055 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.898 5.024 0.093 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -14.619 4.073 -0.697 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -15.656 4.779 -1.920 1.00 0.02 H new ATOM 0 HG CYS A 36 -13.310 6.734 -0.343 1.00 0.02 H new ATOM 567 N ASN A 37 -15.859 4.891 2.419 1.00 0.02 N ATOM 568 CA ASN A 37 -15.195 4.832 3.766 1.00 0.01 C ATOM 569 C ASN A 37 -14.673 3.425 4.078 1.00 0.02 C ATOM 570 O ASN A 37 -14.068 3.193 5.105 1.00 0.02 O ATOM 571 CB ASN A 37 -16.194 5.244 4.851 1.00 0.02 C ATOM 572 CG ASN A 37 -15.451 5.504 6.164 1.00 0.01 C ATOM 573 OD1 ASN A 37 -14.268 5.248 6.266 1.00 0.03 O ATOM 574 ND2 ASN A 37 -16.099 6.009 7.177 1.00 0.02 N ATOM 0 H ASN A 37 -16.774 4.443 2.364 1.00 0.02 H new ATOM 0 HA ASN A 37 -14.348 5.517 3.748 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.732 6.141 4.542 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -16.937 4.459 4.992 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -15.612 6.189 8.055 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -17.092 6.224 7.091 1.00 0.02 H new ATOM 581 N SER A 38 -14.871 2.492 3.183 1.00 0.02 N ATOM 582 CA SER A 38 -14.353 1.109 3.407 1.00 0.02 C ATOM 583 C SER A 38 -14.126 0.467 2.042 1.00 0.01 C ATOM 584 O SER A 38 -14.734 0.851 1.063 1.00 0.02 O ATOM 585 CB SER A 38 -15.353 0.281 4.218 1.00 0.01 C ATOM 586 OG SER A 38 -15.210 -1.092 3.878 1.00 0.02 O ATOM 0 H SER A 38 -15.370 2.629 2.304 1.00 0.02 H new ATOM 0 HA SER A 38 -13.421 1.148 3.971 1.00 0.02 H new ATOM 0 HB2 SER A 38 -15.180 0.423 5.285 1.00 0.01 H new ATOM 0 HB3 SER A 38 -16.370 0.615 4.013 1.00 0.01 H new ATOM 0 HG SER A 38 -14.305 -1.392 4.103 1.00 0.02 H new ATOM 592 N ILE A 39 -13.236 -0.491 1.948 1.00 0.02 N ATOM 593 CA ILE A 39 -12.962 -1.119 0.617 1.00 0.02 C ATOM 594 C ILE A 39 -12.619 -2.601 0.778 1.00 0.02 C ATOM 595 O ILE A 39 -11.971 -3.018 1.719 1.00 0.02 O ATOM 596 CB ILE A 39 -11.764 -0.414 -0.028 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.945 1.105 0.073 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.662 -0.818 -1.501 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.840 1.812 -0.717 1.00 0.00 C ATOM 0 H ILE A 39 -12.692 -0.863 2.727 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.853 -1.022 -0.004 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.852 -0.706 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.922 1.391 -0.316 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.914 1.416 1.117 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.809 -0.316 -1.958 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.529 -1.897 -1.574 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.575 -0.529 -2.022 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.973 2.891 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.868 1.537 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.892 1.512 -1.764 1.00 0.00 H new ATOM 611 N ARG A 40 -13.022 -3.390 -0.188 1.00 0.02 N ATOM 612 CA ARG A 40 -12.706 -4.850 -0.185 1.00 0.02 C ATOM 613 C ARG A 40 -12.006 -5.186 -1.503 1.00 0.01 C ATOM 614 O ARG A 40 -12.540 -4.947 -2.568 1.00 0.02 O ATOM 615 CB ARG A 40 -13.979 -5.690 -0.067 1.00 0.01 C ATOM 616 CG ARG A 40 -13.601 -7.153 0.181 1.00 0.02 C ATOM 617 CD ARG A 40 -14.865 -7.965 0.469 1.00 0.02 C ATOM 618 NE ARG A 40 -14.498 -9.390 0.698 1.00 0.02 N ATOM 619 CZ ARG A 40 -15.355 -10.203 1.251 1.00 0.02 C ATOM 620 NH1 ARG A 40 -16.534 -9.768 1.602 1.00 0.02 N ATOM 621 NH2 ARG A 40 -15.034 -11.450 1.452 1.00 0.02 N ATOM 0 H ARG A 40 -13.566 -3.077 -0.992 1.00 0.02 H new ATOM 0 HA ARG A 40 -12.069 -5.077 0.670 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.598 -5.319 0.750 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.570 -5.605 -0.979 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -13.086 -7.559 -0.689 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -12.911 -7.224 1.022 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.376 -7.565 1.345 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.559 -7.887 -0.368 1.00 0.02 H new ATOM 0 HE ARG A 40 -13.577 -9.730 0.422 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.785 -8.792 1.444 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -17.204 -10.404 2.034 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -14.113 -11.790 1.177 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -15.704 -12.086 1.884 1.00 0.02 H new ATOM 635 N VAL A 41 -10.845 -5.785 -1.449 1.00 0.02 N ATOM 636 CA VAL A 41 -10.147 -6.190 -2.707 1.00 0.01 C ATOM 637 C VAL A 41 -10.306 -7.702 -2.830 1.00 0.02 C ATOM 638 O VAL A 41 -9.805 -8.449 -2.016 1.00 0.02 O ATOM 639 CB VAL A 41 -8.673 -5.799 -2.642 1.00 0.01 C ATOM 640 CG1 VAL A 41 -8.013 -6.098 -3.990 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.565 -4.299 -2.358 1.00 0.00 C ATOM 0 H VAL A 41 -10.349 -6.012 -0.587 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.573 -5.688 -3.576 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.177 -6.364 -1.853 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.960 -5.820 -3.949 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -8.100 -7.162 -4.209 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.509 -5.525 -4.773 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.514 -4.012 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.057 -3.741 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.046 -4.073 -1.406 1.00 0.00 H new ATOM 651 N GLU A 42 -11.028 -8.159 -3.822 1.00 0.01 N ATOM 652 CA GLU A 42 -11.252 -9.626 -3.965 1.00 0.01 C ATOM 653 C GLU A 42 -10.094 -10.265 -4.716 1.00 0.02 C ATOM 654 O GLU A 42 -9.728 -11.392 -4.447 1.00 0.01 O ATOM 655 CB GLU A 42 -12.556 -9.869 -4.730 1.00 0.99 C ATOM 656 CG GLU A 42 -13.002 -11.321 -4.539 1.00 1.86 C ATOM 657 CD GLU A 42 -14.233 -11.598 -5.406 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.053 -11.977 -6.551 1.00 3.67 O ATOM 659 OE2 GLU A 42 -15.333 -11.428 -4.909 1.00 3.81 O ATOM 0 H GLU A 42 -11.470 -7.580 -4.536 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.318 -10.074 -2.973 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -13.331 -9.190 -4.373 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.412 -9.659 -5.790 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -12.193 -11.999 -4.811 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -13.234 -11.506 -3.490 1.00 1.86 H new ATOM 666 N GLY A 43 -9.512 -9.582 -5.660 1.00 0.01 N ATOM 667 CA GLY A 43 -8.388 -10.213 -6.405 1.00 0.02 C ATOM 668 C GLY A 43 -7.580 -9.165 -7.158 1.00 0.02 C ATOM 669 O GLY A 43 -8.113 -8.161 -7.586 1.00 0.02 O ATOM 0 H GLY A 43 -9.758 -8.634 -5.944 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.740 -10.747 -5.710 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.779 -10.950 -7.107 1.00 0.02 H new ATOM 673 N GLY A 44 -6.309 -9.405 -7.351 1.00 0.00 N ATOM 674 CA GLY A 44 -5.472 -8.426 -8.104 1.00 0.01 C ATOM 675 C GLY A 44 -4.969 -7.330 -7.162 1.00 0.01 C ATOM 676 O GLY A 44 -5.392 -7.226 -6.028 1.00 0.01 O ATOM 0 H GLY A 44 -5.816 -10.235 -7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.626 -8.937 -8.564 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -6.055 -7.983 -8.912 1.00 0.01 H new ATOM 680 N THR A 45 -4.091 -6.492 -7.650 1.00 0.01 N ATOM 681 CA THR A 45 -3.562 -5.358 -6.827 1.00 0.00 C ATOM 682 C THR A 45 -3.928 -4.054 -7.536 1.00 0.01 C ATOM 683 O THR A 45 -3.826 -3.963 -8.744 1.00 0.01 O ATOM 684 CB THR A 45 -2.038 -5.476 -6.718 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.710 -6.615 -5.934 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.466 -4.218 -6.060 1.00 1.48 C ATOM 0 H THR A 45 -3.712 -6.544 -8.596 1.00 0.01 H new ATOM 0 HA THR A 45 -3.990 -5.378 -5.825 1.00 0.00 H new ATOM 0 HB THR A 45 -1.611 -5.583 -7.715 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.736 -6.694 -5.864 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.382 -4.307 -5.985 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.717 -3.346 -6.663 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.891 -4.104 -5.063 1.00 1.48 H new ATOM 694 N TRP A 46 -4.421 -3.067 -6.821 1.00 0.02 N ATOM 695 CA TRP A 46 -4.863 -1.798 -7.492 1.00 0.01 C ATOM 696 C TRP A 46 -4.224 -0.558 -6.868 1.00 0.01 C ATOM 697 O TRP A 46 -3.884 -0.514 -5.704 1.00 0.01 O ATOM 698 CB TRP A 46 -6.382 -1.680 -7.360 1.00 0.00 C ATOM 699 CG TRP A 46 -7.032 -2.855 -8.017 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.937 -4.135 -7.592 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.871 -2.880 -9.207 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.665 -4.945 -8.444 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.260 -4.217 -9.456 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.327 -1.882 -10.084 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -9.073 -4.552 -10.539 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -9.146 -2.215 -11.175 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.519 -3.547 -11.401 1.00 0.01 C ATOM 0 H TRP A 46 -4.536 -3.084 -5.808 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.552 -1.846 -8.535 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.664 -1.636 -6.308 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.727 -0.755 -7.822 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.383 -4.470 -6.728 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.752 -5.956 -8.338 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -8.046 -0.852 -9.918 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.355 -5.580 -10.710 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.490 -1.440 -11.844 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -10.151 -3.796 -12.241 1.00 0.01 H new ATOM 718 N ALA A 47 -4.134 0.478 -7.660 1.00 0.01 N ATOM 719 CA ALA A 47 -3.605 1.788 -7.187 1.00 0.01 C ATOM 720 C ALA A 47 -4.816 2.714 -7.132 1.00 0.01 C ATOM 721 O ALA A 47 -5.602 2.765 -8.056 1.00 0.01 O ATOM 722 CB ALA A 47 -2.568 2.323 -8.176 1.00 0.24 C ATOM 0 H ALA A 47 -4.413 0.468 -8.641 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.113 1.707 -6.218 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.187 3.281 -7.821 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.745 1.614 -8.259 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -3.032 2.456 -9.153 1.00 0.24 H new ATOM 728 N VAL A 48 -4.959 3.464 -6.067 1.00 0.01 N ATOM 729 CA VAL A 48 -6.111 4.416 -5.955 1.00 0.02 C ATOM 730 C VAL A 48 -5.578 5.847 -5.894 1.00 0.01 C ATOM 731 O VAL A 48 -4.560 6.108 -5.283 1.00 0.01 O ATOM 732 CB VAL A 48 -6.927 4.102 -4.700 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.500 2.685 -4.806 1.00 0.48 C ATOM 734 CG2 VAL A 48 -6.027 4.199 -3.466 1.00 0.65 C ATOM 0 H VAL A 48 -4.326 3.459 -5.267 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.758 4.310 -6.826 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.743 4.819 -4.609 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.082 2.460 -3.912 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.143 2.617 -5.684 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.684 1.968 -4.898 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.609 3.975 -2.572 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.209 3.484 -3.555 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.620 5.207 -3.391 1.00 0.65 H new ATOM 744 N TYR A 49 -6.253 6.775 -6.535 1.00 0.01 N ATOM 745 CA TYR A 49 -5.786 8.200 -6.536 1.00 0.01 C ATOM 746 C TYR A 49 -6.868 9.096 -5.934 1.00 0.01 C ATOM 747 O TYR A 49 -8.055 8.874 -6.096 1.00 0.02 O ATOM 748 CB TYR A 49 -5.495 8.635 -7.974 1.00 0.01 C ATOM 749 CG TYR A 49 -4.400 7.767 -8.546 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.710 6.505 -9.069 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.076 8.223 -8.557 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.697 5.699 -9.600 1.00 0.01 C ATOM 753 CE2 TYR A 49 -2.062 7.415 -9.087 1.00 0.01 C ATOM 754 CZ TYR A 49 -2.373 6.153 -9.609 1.00 0.02 C ATOM 755 OH TYR A 49 -1.374 5.357 -10.131 1.00 0.01 O ATOM 0 H TYR A 49 -7.111 6.605 -7.060 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.878 8.287 -5.939 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.396 8.551 -8.581 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.193 9.682 -7.995 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.731 6.154 -9.062 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.837 9.197 -8.157 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.937 4.726 -10.003 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -1.040 7.765 -9.093 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.570 5.897 -10.282 1.00 0.01 H new ATOM 765 N GLU A 50 -6.433 10.094 -5.210 1.00 0.01 N ATOM 766 CA GLU A 50 -7.373 11.021 -4.519 1.00 0.01 C ATOM 767 C GLU A 50 -8.200 11.832 -5.518 1.00 0.01 C ATOM 768 O GLU A 50 -9.344 12.148 -5.249 1.00 0.02 O ATOM 769 CB GLU A 50 -6.556 11.983 -3.655 1.00 0.02 C ATOM 770 CG GLU A 50 -7.490 12.731 -2.703 1.00 0.01 C ATOM 771 CD GLU A 50 -6.680 13.727 -1.870 1.00 0.02 C ATOM 772 OE1 GLU A 50 -6.008 14.555 -2.461 1.00 0.02 O ATOM 773 OE2 GLU A 50 -6.744 13.641 -0.654 1.00 0.01 O ATOM 0 H GLU A 50 -5.446 10.308 -5.067 1.00 0.01 H new ATOM 0 HA GLU A 50 -8.059 10.431 -3.912 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.806 11.432 -3.088 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -6.020 12.691 -4.287 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -8.260 13.256 -3.269 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.001 12.025 -2.049 1.00 0.01 H new ATOM 780 N ARG A 51 -7.645 12.199 -6.653 1.00 0.02 N ATOM 781 CA ARG A 51 -8.423 13.022 -7.642 1.00 0.02 C ATOM 782 C ARG A 51 -8.418 12.316 -9.015 1.00 0.01 C ATOM 783 O ARG A 51 -7.549 11.509 -9.294 1.00 0.02 O ATOM 784 CB ARG A 51 -7.734 14.402 -7.757 1.00 0.02 C ATOM 785 CG ARG A 51 -8.400 15.410 -6.814 1.00 0.01 C ATOM 786 CD ARG A 51 -7.557 16.685 -6.756 1.00 0.02 C ATOM 787 NE ARG A 51 -8.187 17.654 -5.815 1.00 0.02 N ATOM 788 CZ ARG A 51 -7.502 18.676 -5.378 1.00 0.02 C ATOM 789 NH1 ARG A 51 -6.268 18.848 -5.766 1.00 0.02 N ATOM 790 NH2 ARG A 51 -8.051 19.526 -4.554 1.00 0.01 N ATOM 0 H ARG A 51 -6.693 11.966 -6.937 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.456 13.142 -7.315 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.676 14.309 -7.512 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -7.793 14.761 -8.784 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.406 15.642 -7.163 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.500 14.981 -5.817 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -6.544 16.450 -6.429 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -7.477 17.126 -7.749 1.00 0.02 H new ATOM 0 HE ARG A 51 -9.152 17.519 -5.513 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -5.839 18.184 -6.411 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -5.733 19.646 -5.425 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -9.016 19.392 -4.251 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -7.515 20.324 -4.213 1.00 0.01 H new ATOM 804 N PRO A 52 -9.384 12.625 -9.868 1.00 0.02 N ATOM 805 CA PRO A 52 -9.473 11.990 -11.217 1.00 0.02 C ATOM 806 C PRO A 52 -8.176 12.116 -12.025 1.00 0.01 C ATOM 807 O PRO A 52 -7.286 12.881 -11.709 1.00 0.02 O ATOM 808 CB PRO A 52 -10.635 12.763 -11.884 1.00 0.02 C ATOM 809 CG PRO A 52 -11.091 13.877 -10.925 1.00 0.01 C ATOM 810 CD PRO A 52 -10.456 13.618 -9.552 1.00 0.01 C ATOM 0 HA PRO A 52 -9.638 10.914 -11.158 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.311 13.189 -12.834 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.463 12.089 -12.103 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -10.789 14.853 -11.305 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.178 13.888 -10.845 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -10.048 14.530 -9.116 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.179 13.220 -8.840 1.00 0.01 H new ATOM 818 N ASN A 53 -8.112 11.368 -13.094 1.00 0.02 N ATOM 819 CA ASN A 53 -6.933 11.410 -14.000 1.00 0.02 C ATOM 820 C ASN A 53 -5.668 10.945 -13.280 1.00 0.01 C ATOM 821 O ASN A 53 -4.581 11.436 -13.514 1.00 0.01 O ATOM 822 CB ASN A 53 -6.747 12.841 -14.516 1.00 0.01 C ATOM 823 CG ASN A 53 -5.862 12.830 -15.765 1.00 0.02 C ATOM 824 OD1 ASN A 53 -5.352 11.798 -16.154 1.00 0.02 O ATOM 825 ND2 ASN A 53 -5.654 13.944 -16.413 1.00 0.01 N ATOM 0 H ASN A 53 -8.843 10.717 -13.381 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.109 10.734 -14.836 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.716 13.282 -14.749 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.293 13.460 -13.743 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -5.064 13.948 -17.245 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -6.082 14.811 -16.087 1.00 0.01 H new ATOM 832 N PHE A 54 -5.811 9.972 -12.418 1.00 0.02 N ATOM 833 CA PHE A 54 -4.638 9.423 -11.684 1.00 0.01 C ATOM 834 C PHE A 54 -3.753 10.554 -11.157 1.00 0.01 C ATOM 835 O PHE A 54 -2.558 10.584 -11.376 1.00 0.02 O ATOM 836 CB PHE A 54 -3.838 8.514 -12.628 1.00 1.78 C ATOM 837 CG PHE A 54 -4.788 7.808 -13.574 1.00 2.32 C ATOM 838 CD1 PHE A 54 -5.856 7.061 -13.061 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.604 7.903 -14.960 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.739 6.408 -13.932 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.486 7.251 -15.830 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.553 6.503 -15.315 1.00 3.39 C ATOM 0 H PHE A 54 -6.702 9.531 -12.191 1.00 0.02 H new ATOM 0 HA PHE A 54 -4.987 8.845 -10.829 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.116 9.104 -13.193 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.271 7.783 -12.052 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -5.999 6.988 -11.993 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -3.782 8.479 -15.357 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.562 5.832 -13.536 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.344 7.325 -16.898 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.232 5.999 -15.987 1.00 3.39 H new ATOM 852 N SER A 55 -4.356 11.486 -10.457 1.00 0.02 N ATOM 853 CA SER A 55 -3.590 12.643 -9.889 1.00 0.02 C ATOM 854 C SER A 55 -3.844 12.744 -8.382 1.00 0.01 C ATOM 855 O SER A 55 -4.770 12.153 -7.858 1.00 0.01 O ATOM 856 CB SER A 55 -4.057 13.931 -10.568 1.00 1.90 C ATOM 857 OG SER A 55 -3.626 15.048 -9.803 1.00 2.33 O ATOM 0 H SER A 55 -5.355 11.495 -10.253 1.00 0.02 H new ATOM 0 HA SER A 55 -2.524 12.495 -10.064 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.653 13.990 -11.579 1.00 1.90 H new ATOM 0 HB3 SER A 55 -5.143 13.935 -10.658 1.00 1.90 H new ATOM 0 HG SER A 55 -3.922 15.875 -10.237 1.00 2.33 H new ATOM 863 N GLY A 56 -3.019 13.474 -7.677 1.00 0.02 N ATOM 864 CA GLY A 56 -3.197 13.603 -6.198 1.00 0.02 C ATOM 865 C GLY A 56 -2.454 12.467 -5.486 1.00 0.02 C ATOM 866 O GLY A 56 -1.577 11.843 -6.049 1.00 0.00 O ATOM 0 H GLY A 56 -2.227 13.988 -8.062 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -2.817 14.567 -5.859 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.257 13.571 -5.946 1.00 0.02 H new ATOM 870 N HIS A 57 -2.780 12.205 -4.247 1.00 0.02 N ATOM 871 CA HIS A 57 -2.071 11.124 -3.497 1.00 0.02 C ATOM 872 C HIS A 57 -2.379 9.761 -4.118 1.00 0.01 C ATOM 873 O HIS A 57 -3.504 9.478 -4.477 1.00 0.01 O ATOM 874 CB HIS A 57 -2.533 11.135 -2.041 1.00 0.00 C ATOM 875 CG HIS A 57 -2.390 12.523 -1.479 1.00 0.01 C ATOM 876 ND1 HIS A 57 -1.249 13.285 -1.671 1.00 0.01 N ATOM 877 CD2 HIS A 57 -3.237 13.299 -0.727 1.00 0.01 C ATOM 878 CE1 HIS A 57 -1.437 14.462 -1.047 1.00 0.02 C ATOM 879 NE2 HIS A 57 -2.633 14.523 -0.455 1.00 0.01 N ATOM 0 H HIS A 57 -3.506 12.692 -3.722 1.00 0.02 H new ATOM 0 HA HIS A 57 -0.997 11.301 -3.547 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.571 10.810 -1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.941 10.431 -1.455 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.222 13.004 -0.397 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -0.710 15.260 -1.027 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -3.020 15.300 0.081 1.00 0.01 H new ATOM 887 N MET A 58 -1.381 8.912 -4.231 1.00 0.02 N ATOM 888 CA MET A 58 -1.589 7.546 -4.820 1.00 0.02 C ATOM 889 C MET A 58 -1.243 6.476 -3.777 1.00 0.01 C ATOM 890 O MET A 58 -0.260 6.578 -3.069 1.00 0.01 O ATOM 891 CB MET A 58 -0.676 7.379 -6.036 1.00 2.61 C ATOM 892 CG MET A 58 0.785 7.543 -5.606 1.00 3.46 C ATOM 893 SD MET A 58 1.836 7.650 -7.075 1.00 4.50 S ATOM 894 CE MET A 58 1.478 6.003 -7.732 1.00 5.01 C ATOM 0 H MET A 58 -0.424 9.109 -3.938 1.00 0.02 H new ATOM 0 HA MET A 58 -2.631 7.435 -5.121 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.826 6.397 -6.484 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.927 8.118 -6.797 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.898 8.441 -4.998 1.00 3.46 H new ATOM 0 HG3 MET A 58 1.090 6.699 -4.988 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.291 5.687 -8.385 1.00 5.01 H new ATOM 0 HE2 MET A 58 1.379 5.296 -6.908 1.00 5.01 H new ATOM 0 HE3 MET A 58 0.548 6.032 -8.299 1.00 5.01 H new ATOM 904 N TYR A 59 -2.053 5.452 -3.679 1.00 0.02 N ATOM 905 CA TYR A 59 -1.805 4.355 -2.685 1.00 0.01 C ATOM 906 C TYR A 59 -1.984 2.992 -3.363 1.00 0.01 C ATOM 907 O TYR A 59 -2.887 2.785 -4.147 1.00 0.02 O ATOM 908 CB TYR A 59 -2.812 4.467 -1.543 1.00 0.01 C ATOM 909 CG TYR A 59 -2.543 5.721 -0.750 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.608 5.702 0.292 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.228 6.904 -1.054 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.359 6.865 1.029 1.00 0.02 C ATOM 913 CE2 TYR A 59 -2.978 8.066 -0.317 1.00 0.01 C ATOM 914 CZ TYR A 59 -2.044 8.046 0.724 1.00 0.01 C ATOM 915 OH TYR A 59 -1.797 9.194 1.451 1.00 0.01 O ATOM 0 H TYR A 59 -2.887 5.325 -4.252 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.789 4.447 -2.300 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.827 4.487 -1.941 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.741 3.593 -0.895 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -1.079 4.790 0.527 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -3.949 6.919 -1.858 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.638 6.851 1.833 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.506 8.978 -0.552 1.00 0.01 H new ATOM 0 HH TYR A 59 -0.900 9.528 1.240 1.00 0.01 H new ATOM 925 N ILE A 60 -1.119 2.056 -3.046 1.00 0.02 N ATOM 926 CA ILE A 60 -1.208 0.686 -3.640 1.00 0.01 C ATOM 927 C ILE A 60 -1.980 -0.228 -2.678 1.00 0.01 C ATOM 928 O ILE A 60 -1.712 -0.251 -1.492 1.00 0.01 O ATOM 929 CB ILE A 60 0.208 0.136 -3.845 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.107 1.230 -4.438 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.166 -1.060 -4.795 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.437 1.848 -5.669 1.00 1.72 C ATOM 0 H ILE A 60 -0.347 2.187 -2.393 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.725 0.727 -4.598 1.00 0.01 H new ATOM 0 HB ILE A 60 0.610 -0.182 -2.883 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.296 2.001 -3.691 1.00 1.35 H new ATOM 0 HG13 ILE A 60 2.074 0.808 -4.713 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.175 -1.447 -4.937 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.465 -1.840 -4.370 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.241 -0.747 -5.756 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.082 2.623 -6.083 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.271 1.075 -6.419 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.519 2.286 -5.382 1.00 1.72 H new ATOM 944 N LEU A 61 -2.957 -0.957 -3.175 1.00 0.01 N ATOM 945 CA LEU A 61 -3.781 -1.846 -2.282 1.00 0.01 C ATOM 946 C LEU A 61 -3.658 -3.334 -2.721 1.00 0.01 C ATOM 947 O LEU A 61 -4.174 -3.703 -3.760 1.00 0.00 O ATOM 948 CB LEU A 61 -5.267 -1.393 -2.397 1.00 0.01 C ATOM 949 CG LEU A 61 -5.777 -0.818 -1.061 1.00 0.02 C ATOM 950 CD1 LEU A 61 -7.077 -0.050 -1.298 1.00 0.01 C ATOM 951 CD2 LEU A 61 -6.044 -1.961 -0.080 1.00 0.01 C ATOM 0 H LEU A 61 -3.220 -0.975 -4.160 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.426 -1.765 -1.255 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.361 -0.641 -3.180 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.887 -2.240 -2.692 1.00 0.01 H new ATOM 0 HG LEU A 61 -5.023 -0.147 -0.648 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.437 0.356 -0.353 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -6.895 0.766 -1.998 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.827 -0.724 -1.713 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -6.405 -1.553 0.864 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.796 -2.630 -0.497 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -5.121 -2.515 0.093 1.00 0.01 H new ATOM 963 N PRO A 62 -3.020 -4.204 -1.942 1.00 0.02 N ATOM 964 CA PRO A 62 -2.943 -5.645 -2.322 1.00 0.01 C ATOM 965 C PRO A 62 -4.269 -6.353 -1.997 1.00 0.00 C ATOM 966 O PRO A 62 -5.121 -5.803 -1.328 1.00 0.02 O ATOM 967 CB PRO A 62 -1.797 -6.154 -1.434 1.00 1.47 C ATOM 968 CG PRO A 62 -1.616 -5.152 -0.279 1.00 1.29 C ATOM 969 CD PRO A 62 -2.330 -3.840 -0.666 1.00 0.82 C ATOM 0 HA PRO A 62 -2.772 -5.822 -3.384 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -2.026 -7.147 -1.046 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.877 -6.242 -2.011 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -2.034 -5.555 0.643 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.557 -4.969 -0.096 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -3.037 -3.523 0.100 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.624 -3.021 -0.807 1.00 0.82 H new ATOM 977 N GLN A 63 -4.458 -7.560 -2.461 1.00 0.02 N ATOM 978 CA GLN A 63 -5.735 -8.281 -2.174 1.00 0.00 C ATOM 979 C GLN A 63 -6.002 -8.325 -0.665 1.00 0.00 C ATOM 980 O GLN A 63 -5.098 -8.510 0.125 1.00 0.02 O ATOM 981 CB GLN A 63 -5.629 -9.712 -2.708 1.00 1.27 C ATOM 982 CG GLN A 63 -5.284 -9.678 -4.198 1.00 1.67 C ATOM 983 CD GLN A 63 -5.076 -11.105 -4.705 1.00 2.43 C ATOM 984 OE1 GLN A 63 -4.374 -11.323 -5.673 1.00 4.25 O ATOM 985 NE2 GLN A 63 -5.661 -12.096 -4.089 1.00 3.04 N ATOM 0 H GLN A 63 -3.785 -8.078 -3.026 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.556 -7.754 -2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.863 -10.260 -2.159 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -6.570 -10.239 -2.554 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -6.086 -9.195 -4.757 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.382 -9.088 -4.360 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -6.250 -11.915 -3.277 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -5.529 -13.052 -4.420 1.00 3.04 H new ATOM 994 N GLY A 64 -7.239 -8.168 -0.251 1.00 0.02 N ATOM 995 CA GLY A 64 -7.538 -8.216 1.212 1.00 0.01 C ATOM 996 C GLY A 64 -8.821 -7.439 1.526 1.00 0.02 C ATOM 997 O GLY A 64 -9.484 -6.923 0.648 1.00 0.02 O ATOM 0 H GLY A 64 -8.044 -8.011 -0.857 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.646 -9.252 1.533 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.704 -7.794 1.773 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.173 -7.362 2.785 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.413 -6.630 3.201 1.00 0.02 C ATOM 1003 C GLU A 65 -10.042 -5.490 4.152 1.00 0.02 C ATOM 1004 O GLU A 65 -9.314 -5.673 5.107 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.340 -7.606 3.927 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.678 -6.925 4.220 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.583 -7.888 4.991 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -13.203 -8.279 6.083 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -14.639 -8.218 4.477 1.00 0.96 O ATOM 0 H GLU A 65 -8.648 -7.780 3.553 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.911 -6.220 2.322 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.499 -8.494 3.316 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.878 -7.938 4.857 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.516 -6.017 4.801 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -13.158 -6.626 3.288 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.560 -4.312 3.894 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.278 -3.133 4.766 1.00 0.02 C ATOM 1018 C TYR A 66 -11.619 -2.617 5.324 1.00 0.02 C ATOM 1019 O TYR A 66 -12.313 -1.866 4.656 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.628 -2.049 3.906 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.334 -2.591 3.348 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.353 -3.437 2.233 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -7.119 -2.261 3.956 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -7.154 -3.951 1.725 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.920 -2.776 3.450 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.938 -3.621 2.334 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.757 -4.128 1.833 1.00 0.01 O ATOM 0 H TYR A 66 -11.175 -4.118 3.104 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.614 -3.400 5.588 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.296 -1.757 3.096 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.439 -1.156 4.502 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.292 -3.693 1.765 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.106 -1.608 4.816 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -7.167 -4.602 0.863 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.982 -2.522 3.920 1.00 0.02 H new ATOM 0 HH TYR A 66 -4.006 -3.800 2.371 1.00 0.01 H new ATOM 1037 N PRO A 67 -12.008 -3.017 6.524 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.307 -2.561 7.096 1.00 0.02 C ATOM 1039 C PRO A 67 -13.331 -1.061 7.438 1.00 0.02 C ATOM 1040 O PRO A 67 -14.364 -0.526 7.793 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.454 -3.435 8.363 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.181 -4.294 8.519 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.206 -3.940 7.380 1.00 0.01 C ATOM 0 HA PRO A 67 -14.127 -2.673 6.387 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.596 -2.806 9.242 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.334 -4.073 8.282 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.715 -4.108 9.487 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.433 -5.354 8.485 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.304 -3.459 7.757 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -10.889 -4.826 6.830 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.227 -0.367 7.317 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.230 1.096 7.618 1.00 0.01 C ATOM 1053 C GLU A 68 -11.057 1.729 6.864 1.00 0.03 C ATOM 1054 O GLU A 68 -10.091 1.079 6.521 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.043 1.345 9.129 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.352 1.082 9.899 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.480 -0.405 10.246 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -12.471 -1.012 10.564 1.00 1.55 O ATOM 1059 OE2 GLU A 68 -14.590 -0.908 10.192 1.00 2.02 O ATOM 0 H GLU A 68 -11.328 -0.749 7.024 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.182 1.529 7.312 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.255 0.697 9.513 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -11.720 2.373 9.294 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -13.370 1.677 10.812 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -14.205 1.396 9.297 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.173 2.990 6.563 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.112 3.674 5.772 1.00 0.02 C ATOM 1068 C TYR A 69 -8.751 3.636 6.476 1.00 0.01 C ATOM 1069 O TYR A 69 -7.720 3.495 5.845 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.537 5.117 5.485 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.454 5.941 6.749 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -11.466 5.853 7.711 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -9.367 6.801 6.953 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -11.391 6.622 8.879 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -9.292 7.568 8.121 1.00 0.02 C ATOM 1076 CZ TYR A 69 -10.305 7.480 9.084 1.00 0.02 C ATOM 1077 OH TYR A 69 -10.230 8.238 10.235 1.00 0.01 O ATOM 0 H TYR A 69 -11.960 3.580 6.831 1.00 0.02 H new ATOM 0 HA TYR A 69 -9.993 3.137 4.831 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -9.895 5.548 4.717 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.555 5.134 5.096 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.305 5.192 7.553 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -8.587 6.872 6.209 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -12.172 6.553 9.622 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -8.452 8.228 8.280 1.00 0.02 H new ATOM 0 HH TYR A 69 -9.412 8.778 10.219 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.733 3.772 7.775 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.440 3.745 8.518 1.00 0.02 C ATOM 1089 C GLN A 70 -6.721 2.410 8.293 1.00 0.01 C ATOM 1090 O GLN A 70 -5.519 2.307 8.426 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.714 3.914 10.014 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.561 5.165 10.241 1.00 0.01 C ATOM 1093 CD GLN A 70 -8.771 5.374 11.743 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -8.252 4.522 12.586 1.00 0.01 O flip ATOM 1095 NE2 GLN A 70 -9.411 6.320 12.153 1.00 0.02 N flip ATOM 0 H GLN A 70 -9.562 3.901 8.356 1.00 0.01 H new ATOM 0 HA GLN A 70 -6.809 4.556 8.154 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.232 3.036 10.401 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -6.774 3.995 10.559 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.067 6.035 9.808 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.523 5.062 9.739 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -9.816 6.985 11.495 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -9.544 6.450 13.156 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.462 1.387 7.946 1.00 0.01 N ATOM 1105 CA ARG A 71 -6.832 0.056 7.706 1.00 0.02 C ATOM 1106 C ARG A 71 -6.015 0.116 6.415 1.00 0.01 C ATOM 1107 O ARG A 71 -5.145 -0.694 6.170 1.00 0.02 O ATOM 1108 CB ARG A 71 -7.917 -1.020 7.579 1.00 0.34 C ATOM 1109 CG ARG A 71 -7.279 -2.418 7.630 1.00 0.72 C ATOM 1110 CD ARG A 71 -6.698 -2.704 9.027 1.00 1.04 C ATOM 1111 NE ARG A 71 -6.760 -4.168 9.295 1.00 1.67 N ATOM 1112 CZ ARG A 71 -6.057 -4.683 10.267 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -5.300 -3.917 11.004 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -6.111 -5.965 10.505 1.00 3.42 N ATOM 0 H ARG A 71 -8.474 1.418 7.819 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.181 -0.195 8.544 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.643 -0.913 8.385 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -8.459 -0.893 6.642 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -8.025 -3.172 7.380 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -6.490 -2.490 6.881 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -5.667 -2.356 9.083 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -7.260 -2.159 9.786 1.00 1.04 H new ATOM 0 HE ARG A 71 -7.351 -4.768 8.719 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -5.257 -2.914 10.821 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -4.751 -4.321 11.763 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -6.703 -6.566 9.931 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -5.561 -6.366 11.265 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.306 1.088 5.591 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.583 1.253 4.293 1.00 0.01 C ATOM 1130 C TRP A 72 -4.669 2.482 4.421 1.00 0.01 C ATOM 1131 O TRP A 72 -4.089 2.956 3.464 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.652 1.434 3.190 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.174 2.302 2.068 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.134 2.021 1.251 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.713 3.580 1.622 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -5.000 3.047 0.332 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -5.950 4.033 0.523 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -7.780 4.382 2.066 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.236 5.242 -0.117 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.071 5.598 1.424 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.299 6.026 0.336 1.00 0.02 C ATOM 0 H TRP A 72 -7.027 1.788 5.765 1.00 0.02 H new ATOM 0 HA TRP A 72 -4.964 0.393 4.039 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -6.932 0.457 2.796 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.550 1.871 3.627 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.511 1.141 1.306 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.287 3.073 -0.397 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.379 4.061 2.905 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.639 5.568 -0.956 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -8.894 6.205 1.771 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.526 6.962 -0.152 1.00 0.02 H new ATOM 1152 N MET A 73 -4.543 2.989 5.616 1.00 0.02 N ATOM 1153 CA MET A 73 -3.680 4.180 5.855 1.00 0.02 C ATOM 1154 C MET A 73 -4.187 5.385 5.051 1.00 0.01 C ATOM 1155 O MET A 73 -3.452 6.310 4.766 1.00 0.02 O ATOM 1156 CB MET A 73 -2.238 3.859 5.447 1.00 0.02 C ATOM 1157 CG MET A 73 -1.865 2.457 5.930 1.00 0.01 C ATOM 1158 SD MET A 73 -0.068 2.257 5.870 1.00 0.01 S ATOM 1159 CE MET A 73 -0.016 0.531 6.410 1.00 0.01 C ATOM 0 H MET A 73 -5.007 2.624 6.448 1.00 0.02 H new ATOM 0 HA MET A 73 -3.715 4.429 6.915 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.134 3.920 4.364 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.557 4.595 5.875 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.225 2.303 6.947 1.00 0.01 H new ATOM 0 HG3 MET A 73 -2.346 1.705 5.305 1.00 0.01 H new ATOM 0 HE1 MET A 73 1.019 0.192 6.446 1.00 0.01 H new ATOM 0 HE2 MET A 73 -0.460 0.447 7.402 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.576 -0.087 5.708 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.442 5.374 4.685 1.00 0.02 N ATOM 1170 CA GLY A 74 -5.997 6.513 3.902 1.00 0.02 C ATOM 1171 C GLY A 74 -5.851 7.805 4.706 1.00 0.01 C ATOM 1172 O GLY A 74 -6.025 7.817 5.910 1.00 0.01 O ATOM 0 H GLY A 74 -6.104 4.627 4.895 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.473 6.603 2.950 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.047 6.332 3.672 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.582 8.903 4.052 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.486 10.195 4.790 1.00 0.02 C ATOM 1178 C LEU A 75 -6.916 10.687 5.048 1.00 0.01 C ATOM 1179 O LEU A 75 -7.199 11.321 6.045 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.714 11.226 3.960 1.00 0.55 C ATOM 1181 CG LEU A 75 -3.442 10.589 3.396 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -2.613 11.657 2.678 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -2.619 9.981 4.537 1.00 0.42 C ATOM 0 H LEU A 75 -5.426 8.961 3.046 1.00 0.02 H new ATOM 0 HA LEU A 75 -4.952 10.057 5.730 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -5.339 11.593 3.146 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -4.458 12.086 4.578 1.00 0.55 H new ATOM 0 HG LEU A 75 -3.713 9.803 2.691 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -1.707 11.205 2.276 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -3.197 12.085 1.863 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -2.344 12.444 3.383 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -1.714 9.528 4.132 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -2.347 10.763 5.246 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -3.209 9.219 5.046 1.00 0.42 H new ATOM 1195 N ASN A 76 -7.824 10.365 4.161 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.250 10.752 4.315 1.00 0.02 C ATOM 1197 C ASN A 76 -10.054 9.766 3.466 1.00 0.02 C ATOM 1198 O ASN A 76 -9.512 8.794 2.978 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.463 12.185 3.817 1.00 0.02 C ATOM 1200 CG ASN A 76 -10.909 12.607 4.080 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -11.768 12.586 3.099 1.00 0.01 O flip ATOM 1202 ND2 ASN A 76 -11.260 12.960 5.188 1.00 0.02 N flip ATOM 0 H ASN A 76 -7.624 9.834 3.313 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.563 10.720 5.359 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -8.777 12.863 4.324 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -9.243 12.247 2.751 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -10.588 12.976 5.955 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -12.227 13.240 5.351 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.333 9.976 3.288 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.141 9.012 2.474 1.00 0.01 C ATOM 1211 C ASP A 77 -12.324 9.533 1.045 1.00 0.01 C ATOM 1212 O ASP A 77 -13.316 9.244 0.406 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.520 8.846 3.117 1.00 0.01 C ATOM 1214 CG ASP A 77 -13.380 8.072 4.429 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -12.588 7.146 4.466 1.00 0.01 O ATOM 1216 OD2 ASP A 77 -14.068 8.419 5.374 1.00 0.02 O ATOM 0 H ASP A 77 -11.852 10.768 3.668 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.616 8.057 2.441 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -13.966 9.823 3.304 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -14.188 8.315 2.439 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.400 10.313 0.536 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.560 10.859 -0.852 1.00 0.01 C ATOM 1223 C ARG A 78 -10.803 10.002 -1.873 1.00 0.02 C ATOM 1224 O ARG A 78 -9.602 9.837 -1.794 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.037 12.298 -0.892 1.00 0.43 C ATOM 1226 CG ARG A 78 -11.185 12.855 -2.309 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.010 14.374 -2.280 1.00 1.00 C ATOM 1228 NE ARG A 78 -9.826 14.720 -1.444 1.00 1.30 N ATOM 1229 CZ ARG A 78 -9.309 15.916 -1.508 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -9.828 16.810 -2.304 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -8.271 16.218 -0.775 1.00 3.20 N ATOM 0 H ARG A 78 -10.546 10.595 1.018 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.618 10.840 -1.114 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -11.591 12.917 -0.187 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -9.991 12.325 -0.587 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -10.442 12.405 -2.968 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -12.165 12.599 -2.712 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -10.878 14.755 -3.293 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -11.905 14.847 -1.876 1.00 1.00 H new ATOM 0 HE ARG A 78 -9.420 14.022 -0.822 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -10.638 16.574 -2.877 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -9.423 17.745 -2.354 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -7.865 15.519 -0.153 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -7.866 17.153 -0.825 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.500 9.484 -2.853 1.00 0.01 N ATOM 1246 CA LEU A 79 -10.851 8.661 -3.923 1.00 0.01 C ATOM 1247 C LEU A 79 -11.555 8.987 -5.245 1.00 0.01 C ATOM 1248 O LEU A 79 -12.759 8.865 -5.351 1.00 0.02 O ATOM 1249 CB LEU A 79 -11.007 7.171 -3.608 1.00 1.04 C ATOM 1250 CG LEU A 79 -10.088 6.771 -2.442 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.334 5.298 -2.098 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.605 6.981 -2.825 1.00 2.61 C ATOM 0 H LEU A 79 -12.508 9.598 -2.960 1.00 0.01 H new ATOM 0 HA LEU A 79 -9.786 8.887 -3.985 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -12.044 6.953 -3.353 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -10.764 6.579 -4.490 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.310 7.396 -1.577 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.687 5.004 -1.272 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.376 5.161 -1.809 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.115 4.680 -2.968 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -7.969 6.693 -1.988 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.363 6.368 -3.693 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.436 8.031 -3.064 1.00 2.61 H new ATOM 1264 N GLY A 80 -10.829 9.450 -6.237 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.467 9.843 -7.539 1.00 0.02 C ATOM 1266 C GLY A 80 -11.108 8.893 -8.691 1.00 0.02 C ATOM 1267 O GLY A 80 -11.768 8.895 -9.710 1.00 0.01 O ATOM 0 H GLY A 80 -9.817 9.574 -6.202 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.550 9.863 -7.416 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.157 10.855 -7.799 1.00 0.02 H new ATOM 1271 N SER A 81 -10.081 8.088 -8.577 1.00 0.01 N ATOM 1272 CA SER A 81 -9.749 7.180 -9.730 1.00 0.01 C ATOM 1273 C SER A 81 -8.960 5.963 -9.251 1.00 0.02 C ATOM 1274 O SER A 81 -8.305 5.987 -8.229 1.00 0.01 O ATOM 1275 CB SER A 81 -8.919 7.950 -10.756 1.00 0.01 C ATOM 1276 OG SER A 81 -8.332 7.031 -11.667 1.00 0.01 O ATOM 0 H SER A 81 -9.471 8.016 -7.763 1.00 0.01 H new ATOM 0 HA SER A 81 -10.679 6.836 -10.183 1.00 0.01 H new ATOM 0 HB2 SER A 81 -9.549 8.660 -11.292 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.143 8.528 -10.254 1.00 0.01 H new ATOM 0 HG SER A 81 -7.746 7.514 -12.286 1.00 0.01 H new ATOM 1282 N CYS A 82 -9.017 4.883 -10.005 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.270 3.647 -9.610 1.00 0.01 C ATOM 1284 C CYS A 82 -7.750 2.909 -10.853 1.00 0.01 C ATOM 1285 O CYS A 82 -8.373 2.905 -11.895 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.196 2.719 -8.823 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.634 2.302 -9.839 1.00 0.02 S ATOM 0 H CYS A 82 -9.548 4.809 -10.873 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.421 3.937 -8.991 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -8.663 1.812 -8.538 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.517 3.204 -7.901 1.00 0.01 H new ATOM 0 HG CYS A 82 -11.422 1.511 -9.173 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.614 2.266 -10.730 1.00 0.01 N ATOM 1294 CA ARG A 83 -6.034 1.501 -11.885 1.00 0.01 C ATOM 1295 C ARG A 83 -5.487 0.162 -11.379 1.00 0.01 C ATOM 1296 O ARG A 83 -4.944 0.068 -10.296 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.864 2.285 -12.490 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.394 3.488 -13.272 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.225 4.400 -13.659 1.00 0.01 C ATOM 1300 NE ARG A 83 -3.098 3.577 -14.181 1.00 0.01 N ATOM 1301 CZ ARG A 83 -2.129 4.145 -14.846 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -2.144 5.434 -15.048 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -1.145 3.423 -15.309 1.00 0.01 N ATOM 0 H ARG A 83 -6.058 2.237 -9.875 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.812 1.345 -12.632 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.192 2.621 -11.700 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.284 1.639 -13.149 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -5.918 3.152 -14.166 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -6.115 4.039 -12.668 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.545 5.117 -14.415 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.897 4.975 -12.793 1.00 0.01 H new ATOM 0 HE ARG A 83 -3.084 2.570 -14.019 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.913 5.998 -14.686 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -1.387 5.878 -15.568 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -1.134 2.415 -15.151 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -0.388 3.866 -15.829 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.627 -0.879 -12.160 1.00 0.01 N ATOM 1318 CA ALA A 84 -5.117 -2.213 -11.731 1.00 0.01 C ATOM 1319 C ALA A 84 -3.602 -2.285 -11.957 1.00 0.01 C ATOM 1320 O ALA A 84 -3.100 -1.951 -13.013 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.797 -3.308 -12.555 1.00 0.43 C ATOM 0 H ALA A 84 -6.073 -0.861 -13.077 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.336 -2.356 -10.673 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.425 -4.283 -12.242 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.875 -3.264 -12.399 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.577 -3.158 -13.612 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.880 -2.742 -10.969 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.398 -2.874 -11.102 1.00 0.01 C ATOM 1329 C VAL A 85 -1.065 -4.279 -11.610 1.00 0.01 C ATOM 1330 O VAL A 85 -1.462 -5.264 -11.021 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.735 -2.652 -9.740 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.776 -2.489 -9.930 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.305 -1.386 -9.096 1.00 1.12 C ATOM 0 H VAL A 85 -3.256 -3.032 -10.067 1.00 0.01 H new ATOM 0 HA VAL A 85 -1.026 -2.129 -11.806 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.932 -3.509 -9.096 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.250 -2.331 -8.961 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.184 -3.389 -10.391 1.00 1.25 H new ATOM 0 HG13 VAL A 85 0.971 -1.631 -10.574 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.833 -1.227 -8.126 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -1.107 -0.529 -9.740 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.381 -1.499 -8.962 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.333 -4.394 -12.688 1.00 0.01 N ATOM 1344 CA HIS A 86 0.025 -5.750 -13.207 1.00 0.01 C ATOM 1345 C HIS A 86 1.383 -6.155 -12.634 1.00 0.01 C ATOM 1346 O HIS A 86 2.330 -5.394 -12.656 1.00 0.00 O ATOM 1347 CB HIS A 86 0.114 -5.705 -14.735 1.00 0.21 C ATOM 1348 CG HIS A 86 -1.268 -5.568 -15.314 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -1.604 -4.545 -16.188 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -2.408 -6.315 -15.156 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -2.899 -4.703 -16.518 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -3.437 -5.768 -15.918 1.00 1.71 N ATOM 0 H HIS A 86 0.032 -3.611 -13.230 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.736 -6.472 -12.910 1.00 0.01 H new ATOM 0 HB2 HIS A 86 0.736 -4.867 -15.049 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.588 -6.612 -15.109 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -2.494 -7.194 -14.535 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -3.438 -4.048 -17.187 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -4.395 -6.108 -16.000 1.00 1.71 H new ATOM 1360 N LEU A 87 1.482 -7.349 -12.113 1.00 0.01 N ATOM 1361 CA LEU A 87 2.771 -7.822 -11.523 1.00 0.01 C ATOM 1362 C LEU A 87 3.508 -8.684 -12.552 1.00 0.01 C ATOM 1363 O LEU A 87 2.905 -9.470 -13.255 1.00 0.01 O ATOM 1364 CB LEU A 87 2.465 -8.669 -10.275 1.00 0.67 C ATOM 1365 CG LEU A 87 1.279 -8.071 -9.512 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.051 -8.867 -8.226 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.580 -6.613 -9.159 1.00 1.34 C ATOM 0 H LEU A 87 0.718 -8.024 -12.070 1.00 0.01 H new ATOM 0 HA LEU A 87 3.392 -6.969 -11.249 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.239 -9.694 -10.568 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.341 -8.708 -9.628 1.00 0.67 H new ATOM 0 HG LEU A 87 0.386 -8.117 -10.135 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.207 -8.444 -7.681 1.00 1.63 H new ATOM 0 HD12 LEU A 87 0.837 -9.907 -8.475 1.00 1.63 H new ATOM 0 HD13 LEU A 87 1.945 -8.819 -7.605 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.736 -6.188 -8.616 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.473 -6.566 -8.535 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.746 -6.044 -10.074 1.00 1.34 H new ATOM 1379 N SER A 88 4.812 -8.566 -12.622 1.00 0.01 N ATOM 1380 CA SER A 88 5.615 -9.395 -13.574 1.00 0.01 C ATOM 1381 C SER A 88 6.464 -10.379 -12.766 1.00 0.01 C ATOM 1382 O SER A 88 7.242 -9.962 -11.931 1.00 0.01 O ATOM 1383 CB SER A 88 6.528 -8.489 -14.399 1.00 0.81 C ATOM 1384 OG SER A 88 5.772 -7.394 -14.901 1.00 1.08 O ATOM 0 H SER A 88 5.361 -7.922 -12.052 1.00 0.01 H new ATOM 0 HA SER A 88 4.952 -9.938 -14.247 1.00 0.01 H new ATOM 0 HB2 SER A 88 7.352 -8.126 -13.784 1.00 0.81 H new ATOM 0 HB3 SER A 88 6.969 -9.050 -15.223 1.00 0.81 H new ATOM 0 HG SER A 88 6.354 -6.809 -15.429 1.00 1.08 H new ATOM 1390 N SER A 89 6.376 -11.665 -13.017 1.00 0.01 N ATOM 1391 CA SER A 89 7.245 -12.637 -12.271 1.00 0.01 C ATOM 1392 C SER A 89 8.168 -13.321 -13.278 1.00 0.01 C ATOM 1393 O SER A 89 7.725 -13.707 -14.342 1.00 0.01 O ATOM 1394 CB SER A 89 6.400 -13.714 -11.588 1.00 0.43 C ATOM 1395 OG SER A 89 7.255 -14.733 -11.086 1.00 1.26 O ATOM 0 H SER A 89 5.745 -12.083 -13.701 1.00 0.01 H new ATOM 0 HA SER A 89 7.809 -12.096 -11.511 1.00 0.01 H new ATOM 0 HB2 SER A 89 5.820 -13.277 -10.775 1.00 0.43 H new ATOM 0 HB3 SER A 89 5.688 -14.137 -12.296 1.00 0.43 H new ATOM 0 HG SER A 89 6.717 -15.424 -10.646 1.00 1.26 H new ATOM 1401 N GLY A 90 9.443 -13.449 -13.012 1.00 0.01 N ATOM 1402 CA GLY A 90 10.316 -14.081 -14.062 1.00 0.00 C ATOM 1403 C GLY A 90 11.628 -14.686 -13.511 1.00 0.00 C ATOM 1404 O GLY A 90 11.959 -15.809 -13.837 1.00 0.01 O ATOM 0 H GLY A 90 9.908 -13.159 -12.152 1.00 0.01 H new ATOM 0 HA2 GLY A 90 9.750 -14.865 -14.566 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.562 -13.331 -14.814 1.00 0.00 H new ATOM 1408 N GLY A 91 12.389 -13.990 -12.694 1.00 0.00 N ATOM 1409 CA GLY A 91 13.647 -14.616 -12.194 1.00 0.00 C ATOM 1410 C GLY A 91 14.252 -13.806 -11.042 1.00 0.00 C ATOM 1411 O GLY A 91 13.760 -13.858 -9.931 1.00 0.01 O ATOM 0 H GLY A 91 12.198 -13.044 -12.363 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.441 -15.632 -11.858 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.368 -14.689 -13.008 1.00 0.00 H new ATOM 1415 N GLN A 92 15.319 -13.076 -11.276 1.00 1.80 N ATOM 1416 CA GLN A 92 15.963 -12.283 -10.172 1.00 2.31 C ATOM 1417 C GLN A 92 15.962 -10.792 -10.516 1.00 1.91 C ATOM 1418 O GLN A 92 16.546 -10.355 -11.489 1.00 2.31 O ATOM 1419 CB GLN A 92 17.397 -12.783 -9.981 1.00 2.11 C ATOM 1420 CG GLN A 92 17.981 -12.192 -8.695 1.00 2.86 C ATOM 1421 CD GLN A 92 17.316 -12.848 -7.482 1.00 3.70 C ATOM 1422 OE1 GLN A 92 17.218 -14.057 -7.407 1.00 3.99 O ATOM 1423 NE2 GLN A 92 16.854 -12.095 -6.523 1.00 4.43 N ATOM 0 H GLN A 92 15.774 -12.994 -12.185 1.00 1.80 H new ATOM 0 HA GLN A 92 15.400 -12.417 -9.248 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.409 -13.872 -9.931 1.00 2.11 H new ATOM 0 HB3 GLN A 92 18.010 -12.496 -10.836 1.00 2.11 H new ATOM 0 HG2 GLN A 92 19.058 -12.355 -8.664 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.820 -11.114 -8.672 1.00 2.86 H new ATOM 0 HE21 GLN A 92 16.937 -11.080 -6.587 1.00 4.43 H new ATOM 0 HE22 GLN A 92 16.410 -12.521 -5.709 1.00 4.43 H new ATOM 1432 N ALA A 93 15.292 -10.016 -9.707 1.00 0.01 N ATOM 1433 CA ALA A 93 15.231 -8.550 -9.970 1.00 0.01 C ATOM 1434 C ALA A 93 16.541 -7.897 -9.508 1.00 0.01 C ATOM 1435 O ALA A 93 17.000 -8.117 -8.405 1.00 0.01 O ATOM 1436 CB ALA A 93 14.048 -7.941 -9.206 1.00 2.99 C ATOM 0 H ALA A 93 14.787 -10.332 -8.879 1.00 0.01 H new ATOM 0 HA ALA A 93 15.096 -8.374 -11.037 1.00 0.01 H new ATOM 0 HB1 ALA A 93 14.004 -6.869 -9.398 1.00 2.99 H new ATOM 0 HB2 ALA A 93 13.121 -8.408 -9.538 1.00 2.99 H new ATOM 0 HB3 ALA A 93 14.178 -8.113 -8.137 1.00 2.99 H new ATOM 1442 N LYS A 94 17.149 -7.105 -10.356 1.00 0.00 N ATOM 1443 CA LYS A 94 18.443 -6.432 -10.002 1.00 0.01 C ATOM 1444 C LYS A 94 18.327 -4.931 -10.297 1.00 0.01 C ATOM 1445 O LYS A 94 17.728 -4.535 -11.277 1.00 0.01 O ATOM 1446 CB LYS A 94 19.546 -7.057 -10.862 1.00 2.49 C ATOM 1447 CG LYS A 94 20.880 -6.347 -10.602 1.00 3.43 C ATOM 1448 CD LYS A 94 22.015 -7.065 -11.358 1.00 4.11 C ATOM 1449 CE LYS A 94 22.557 -8.230 -10.523 1.00 5.23 C ATOM 1450 NZ LYS A 94 23.723 -8.839 -11.223 1.00 6.36 N ATOM 0 H LYS A 94 16.801 -6.892 -11.291 1.00 0.00 H new ATOM 0 HA LYS A 94 18.676 -6.562 -8.945 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.639 -8.119 -10.633 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.283 -6.980 -11.917 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.817 -5.308 -10.925 1.00 3.43 H new ATOM 0 HG3 LYS A 94 21.094 -6.336 -9.533 1.00 3.43 H new ATOM 0 HD2 LYS A 94 21.647 -7.435 -12.315 1.00 4.11 H new ATOM 0 HD3 LYS A 94 22.818 -6.361 -11.576 1.00 4.11 H new ATOM 0 HE2 LYS A 94 22.855 -7.877 -9.536 1.00 5.23 H new ATOM 0 HE3 LYS A 94 21.778 -8.977 -10.372 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 23.870 -9.808 -10.874 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 23.539 -8.864 -12.246 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 24.574 -8.271 -11.038 1.00 6.36 H new ATOM 1464 N ILE A 95 18.882 -4.089 -9.446 1.00 0.00 N ATOM 1465 CA ILE A 95 18.786 -2.603 -9.671 1.00 0.01 C ATOM 1466 C ILE A 95 20.178 -1.965 -9.597 1.00 0.01 C ATOM 1467 O ILE A 95 21.011 -2.339 -8.792 1.00 0.01 O ATOM 1468 CB ILE A 95 17.881 -1.998 -8.586 1.00 0.34 C ATOM 1469 CG1 ILE A 95 18.019 -0.468 -8.572 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.283 -2.552 -7.218 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.868 0.146 -7.771 1.00 1.09 C ATOM 0 H ILE A 95 19.395 -4.366 -8.609 1.00 0.00 H new ATOM 0 HA ILE A 95 18.367 -2.410 -10.659 1.00 0.01 H new ATOM 0 HB ILE A 95 16.846 -2.262 -8.803 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.974 -0.183 -8.131 1.00 0.30 H new ATOM 0 HG13 ILE A 95 18.011 -0.083 -9.592 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.641 -2.123 -6.449 1.00 0.36 H new ATOM 0 HG22 ILE A 95 18.174 -3.637 -7.218 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.321 -2.292 -7.011 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.969 1.231 -7.763 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.918 -0.127 -8.231 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.896 -0.229 -6.748 1.00 1.09 H new ATOM 1483 N GLN A 96 20.404 -0.956 -10.410 1.00 0.01 N ATOM 1484 CA GLN A 96 21.703 -0.212 -10.388 1.00 0.01 C ATOM 1485 C GLN A 96 21.386 1.264 -10.127 1.00 0.01 C ATOM 1486 O GLN A 96 20.496 1.817 -10.741 1.00 0.00 O ATOM 1487 CB GLN A 96 22.433 -0.372 -11.726 1.00 0.53 C ATOM 1488 CG GLN A 96 21.470 -0.095 -12.877 1.00 0.82 C ATOM 1489 CD GLN A 96 22.192 -0.310 -14.210 1.00 1.25 C ATOM 1490 OE1 GLN A 96 22.702 -1.380 -14.471 1.00 1.75 O ATOM 1491 NE2 GLN A 96 22.254 0.671 -15.069 1.00 2.05 N ATOM 0 H GLN A 96 19.732 -0.614 -11.097 1.00 0.01 H new ATOM 0 HA GLN A 96 22.354 -0.606 -9.607 1.00 0.01 H new ATOM 0 HB2 GLN A 96 23.278 0.315 -11.774 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.836 -1.381 -11.812 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.606 -0.755 -12.809 1.00 0.82 H new ATOM 0 HG3 GLN A 96 21.096 0.927 -12.814 1.00 0.82 H new ATOM 0 HE21 GLN A 96 21.825 1.570 -14.849 1.00 2.05 H new ATOM 0 HE22 GLN A 96 22.731 0.539 -15.961 1.00 2.05 H new ATOM 1500 N VAL A 97 22.088 1.918 -9.230 1.00 0.01 N ATOM 1501 CA VAL A 97 21.798 3.367 -8.946 1.00 0.01 C ATOM 1502 C VAL A 97 23.072 4.197 -9.132 1.00 0.01 C ATOM 1503 O VAL A 97 24.170 3.735 -8.888 1.00 0.01 O ATOM 1504 CB VAL A 97 21.301 3.510 -7.506 1.00 0.77 C ATOM 1505 CG1 VAL A 97 20.122 2.566 -7.275 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.431 3.155 -6.535 1.00 1.03 C ATOM 0 H VAL A 97 22.848 1.515 -8.682 1.00 0.01 H new ATOM 0 HA VAL A 97 21.034 3.725 -9.636 1.00 0.01 H new ATOM 0 HB VAL A 97 20.984 4.539 -7.336 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.769 2.669 -6.249 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.315 2.817 -7.963 1.00 1.10 H new ATOM 0 HG13 VAL A 97 20.440 1.538 -7.448 1.00 1.10 H new ATOM 0 HG21 VAL A 97 22.075 3.257 -5.510 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.750 2.127 -6.708 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.274 3.828 -6.696 1.00 1.03 H new ATOM 1516 N PHE A 98 22.921 5.419 -9.595 1.00 0.01 N ATOM 1517 CA PHE A 98 24.112 6.303 -9.843 1.00 0.01 C ATOM 1518 C PHE A 98 24.054 7.565 -8.973 1.00 0.01 C ATOM 1519 O PHE A 98 23.007 8.131 -8.729 1.00 0.01 O ATOM 1520 CB PHE A 98 24.137 6.710 -11.316 1.00 0.25 C ATOM 1521 CG PHE A 98 24.498 5.512 -12.163 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.508 4.594 -12.536 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.821 5.321 -12.579 1.00 0.58 C ATOM 1524 CE1 PHE A 98 23.840 3.487 -13.324 1.00 0.56 C ATOM 1525 CE2 PHE A 98 26.153 4.213 -13.368 1.00 0.73 C ATOM 1526 CZ PHE A 98 25.163 3.296 -13.740 1.00 0.69 C ATOM 0 H PHE A 98 22.020 5.845 -9.813 1.00 0.01 H new ATOM 0 HA PHE A 98 25.014 5.747 -9.586 1.00 0.01 H new ATOM 0 HB2 PHE A 98 23.163 7.099 -11.613 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.861 7.510 -11.471 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.487 4.741 -12.215 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.585 6.028 -12.291 1.00 0.58 H new ATOM 0 HE1 PHE A 98 23.076 2.780 -13.611 1.00 0.56 H new ATOM 0 HE2 PHE A 98 27.173 4.066 -13.690 1.00 0.73 H new ATOM 0 HZ PHE A 98 25.420 2.441 -14.348 1.00 0.69 H new ATOM 1536 N GLU A 99 25.193 7.977 -8.485 1.00 0.01 N ATOM 1537 CA GLU A 99 25.260 9.174 -7.596 1.00 0.01 C ATOM 1538 C GLU A 99 24.922 10.469 -8.354 1.00 0.01 C ATOM 1539 O GLU A 99 24.397 11.397 -7.773 1.00 0.01 O ATOM 1540 CB GLU A 99 26.670 9.286 -7.009 1.00 0.01 C ATOM 1541 CG GLU A 99 26.784 10.570 -6.182 1.00 0.01 C ATOM 1542 CD GLU A 99 28.032 10.501 -5.297 1.00 0.01 C ATOM 1543 OE1 GLU A 99 29.118 10.424 -5.845 1.00 0.01 O ATOM 1544 OE2 GLU A 99 27.879 10.527 -4.086 1.00 0.02 O ATOM 0 H GLU A 99 26.091 7.530 -8.667 1.00 0.01 H new ATOM 0 HA GLU A 99 24.523 9.047 -6.803 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.884 8.419 -6.384 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.409 9.291 -7.810 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.841 11.436 -6.842 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.895 10.697 -5.565 1.00 0.01 H new ATOM 1551 N LYS A 100 25.220 10.551 -9.634 1.00 0.01 N ATOM 1552 CA LYS A 100 24.914 11.807 -10.407 1.00 0.01 C ATOM 1553 C LYS A 100 23.890 11.519 -11.512 1.00 0.01 C ATOM 1554 O LYS A 100 23.599 10.383 -11.836 1.00 0.01 O ATOM 1555 CB LYS A 100 26.196 12.361 -11.040 1.00 0.94 C ATOM 1556 CG LYS A 100 27.268 12.590 -9.961 1.00 1.63 C ATOM 1557 CD LYS A 100 27.009 13.913 -9.227 1.00 2.19 C ATOM 1558 CE LYS A 100 28.182 14.218 -8.294 1.00 2.84 C ATOM 1559 NZ LYS A 100 27.913 15.483 -7.550 1.00 3.18 N ATOM 0 H LYS A 100 25.660 9.807 -10.176 1.00 0.01 H new ATOM 0 HA LYS A 100 24.500 12.542 -9.717 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.569 11.665 -11.791 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.981 13.298 -11.553 1.00 0.94 H new ATOM 0 HG2 LYS A 100 27.261 11.764 -9.250 1.00 1.63 H new ATOM 0 HG3 LYS A 100 28.257 12.608 -10.419 1.00 1.63 H new ATOM 0 HD2 LYS A 100 26.884 14.722 -9.947 1.00 2.19 H new ATOM 0 HD3 LYS A 100 26.083 13.849 -8.655 1.00 2.19 H new ATOM 0 HE2 LYS A 100 28.326 13.396 -7.593 1.00 2.84 H new ATOM 0 HE3 LYS A 100 29.103 14.311 -8.869 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 28.711 15.689 -6.916 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 27.796 16.265 -8.226 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 27.044 15.378 -6.989 1.00 3.18 H new ATOM 1573 N GLY A 101 23.350 12.558 -12.087 1.00 0.01 N ATOM 1574 CA GLY A 101 22.328 12.397 -13.163 1.00 0.01 C ATOM 1575 C GLY A 101 22.937 11.771 -14.419 1.00 0.00 C ATOM 1576 O GLY A 101 24.137 11.739 -14.605 1.00 0.01 O ATOM 0 H GLY A 101 23.576 13.525 -11.855 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.512 11.772 -12.802 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.900 13.369 -13.409 1.00 0.01 H new ATOM 1580 N ASP A 102 22.086 11.292 -15.290 1.00 0.01 N ATOM 1581 CA ASP A 102 22.548 10.677 -16.568 1.00 0.00 C ATOM 1582 C ASP A 102 23.521 9.529 -16.302 1.00 0.00 C ATOM 1583 O ASP A 102 24.478 9.324 -17.023 1.00 0.01 O ATOM 1584 CB ASP A 102 23.237 11.742 -17.425 1.00 0.01 C ATOM 1585 CG ASP A 102 23.524 11.171 -18.815 1.00 0.01 C ATOM 1586 OD1 ASP A 102 22.630 11.202 -19.643 1.00 0.01 O ATOM 1587 OD2 ASP A 102 24.634 10.710 -19.026 1.00 0.01 O ATOM 0 H ASP A 102 21.074 11.302 -15.166 1.00 0.01 H new ATOM 0 HA ASP A 102 21.680 10.279 -17.094 1.00 0.00 H new ATOM 0 HB2 ASP A 102 22.603 12.625 -17.507 1.00 0.01 H new ATOM 0 HB3 ASP A 102 24.166 12.060 -16.952 1.00 0.01 H new ATOM 1592 N PHE A 103 23.250 8.756 -15.286 1.00 0.01 N ATOM 1593 CA PHE A 103 24.110 7.582 -14.967 1.00 0.01 C ATOM 1594 C PHE A 103 25.579 7.991 -14.866 1.00 0.00 C ATOM 1595 O PHE A 103 26.432 7.422 -15.522 1.00 0.01 O ATOM 1596 CB PHE A 103 23.952 6.531 -16.069 1.00 0.01 C ATOM 1597 CG PHE A 103 22.487 6.348 -16.387 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.691 5.532 -15.574 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.925 6.989 -17.498 1.00 0.01 C ATOM 1600 CE1 PHE A 103 20.334 5.360 -15.870 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.568 6.816 -17.794 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.772 6.001 -16.979 1.00 0.01 C ATOM 0 H PHE A 103 22.459 8.890 -14.656 1.00 0.01 H new ATOM 0 HA PHE A 103 23.799 7.173 -14.006 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.493 6.842 -16.963 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.386 5.584 -15.748 1.00 0.01 H new ATOM 0 HD1 PHE A 103 22.124 5.035 -14.718 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.539 7.617 -18.127 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.720 4.732 -15.242 1.00 0.01 H new ATOM 0 HE2 PHE A 103 20.135 7.311 -18.651 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.725 5.868 -17.207 1.00 0.01 H new ATOM 1612 N ASN A 104 25.888 8.952 -14.032 1.00 0.00 N ATOM 1613 CA ASN A 104 27.311 9.388 -13.856 1.00 0.01 C ATOM 1614 C ASN A 104 27.624 9.392 -12.357 1.00 0.01 C ATOM 1615 O ASN A 104 26.733 9.328 -11.533 1.00 0.01 O ATOM 1616 CB ASN A 104 27.495 10.799 -14.437 1.00 1.68 C ATOM 1617 CG ASN A 104 28.850 11.370 -14.005 1.00 2.31 C ATOM 1618 OD1 ASN A 104 28.916 12.203 -13.122 1.00 3.15 O ATOM 1619 ND2 ASN A 104 29.939 10.957 -14.595 1.00 2.38 N ATOM 0 H ASN A 104 25.212 9.458 -13.460 1.00 0.00 H new ATOM 0 HA ASN A 104 27.986 8.709 -14.377 1.00 0.01 H new ATOM 0 HB2 ASN A 104 27.436 10.764 -15.525 1.00 1.68 H new ATOM 0 HB3 ASN A 104 26.691 11.450 -14.095 1.00 1.68 H new ATOM 0 HD21 ASN A 104 30.845 11.333 -14.315 1.00 2.38 H new ATOM 0 HD22 ASN A 104 29.884 10.258 -15.336 1.00 2.38 H new ATOM 1626 N GLY A 105 28.877 9.453 -11.989 1.00 0.01 N ATOM 1627 CA GLY A 105 29.230 9.450 -10.538 1.00 0.01 C ATOM 1628 C GLY A 105 29.487 8.015 -10.085 1.00 0.01 C ATOM 1629 O GLY A 105 29.666 7.126 -10.893 1.00 0.01 O ATOM 0 H GLY A 105 29.670 9.505 -12.629 1.00 0.01 H new ATOM 0 HA2 GLY A 105 30.115 10.062 -10.366 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.421 9.889 -9.954 1.00 0.01 H new ATOM 1633 N GLN A 106 29.494 7.768 -8.803 1.00 0.01 N ATOM 1634 CA GLN A 106 29.724 6.381 -8.322 1.00 0.01 C ATOM 1635 C GLN A 106 28.446 5.568 -8.534 1.00 0.01 C ATOM 1636 O GLN A 106 27.346 6.071 -8.412 1.00 0.01 O ATOM 1637 CB GLN A 106 30.074 6.408 -6.832 1.00 0.01 C ATOM 1638 CG GLN A 106 30.527 5.015 -6.389 1.00 0.01 C ATOM 1639 CD GLN A 106 31.078 5.085 -4.963 1.00 0.01 C ATOM 1640 OE1 GLN A 106 31.687 4.147 -4.488 1.00 0.01 O ATOM 1641 NE2 GLN A 106 30.887 6.165 -4.256 1.00 0.01 N ATOM 0 H GLN A 106 29.351 8.465 -8.073 1.00 0.01 H new ATOM 0 HA GLN A 106 30.547 5.928 -8.874 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.864 7.135 -6.646 1.00 0.01 H new ATOM 0 HB3 GLN A 106 29.208 6.723 -6.250 1.00 0.01 H new ATOM 0 HG2 GLN A 106 29.690 4.318 -6.433 1.00 0.01 H new ATOM 0 HG3 GLN A 106 31.292 4.637 -7.067 1.00 0.01 H new ATOM 0 HE21 GLN A 106 30.376 6.952 -4.655 1.00 0.01 H new ATOM 0 HE22 GLN A 106 31.249 6.222 -3.304 1.00 0.01 H new ATOM 1650 N MET A 107 28.597 4.313 -8.871 1.00 0.01 N ATOM 1651 CA MET A 107 27.410 3.432 -9.118 1.00 0.01 C ATOM 1652 C MET A 107 27.379 2.299 -8.091 1.00 0.01 C ATOM 1653 O MET A 107 28.398 1.747 -7.724 1.00 0.01 O ATOM 1654 CB MET A 107 27.512 2.830 -10.522 1.00 0.00 C ATOM 1655 CG MET A 107 26.187 2.160 -10.898 1.00 0.01 C ATOM 1656 SD MET A 107 26.453 1.045 -12.299 1.00 0.01 S ATOM 1657 CE MET A 107 26.827 -0.443 -11.339 1.00 0.01 C ATOM 0 H MET A 107 29.500 3.854 -8.987 1.00 0.01 H new ATOM 0 HA MET A 107 26.500 4.025 -9.030 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.754 3.609 -11.245 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.321 2.101 -10.557 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.793 1.605 -10.047 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.445 2.916 -11.156 1.00 0.01 H new ATOM 0 HE1 MET A 107 27.027 -1.273 -12.017 1.00 0.01 H new ATOM 0 HE2 MET A 107 27.703 -0.264 -10.716 1.00 0.01 H new ATOM 0 HE3 MET A 107 25.976 -0.690 -10.705 1.00 0.01 H new ATOM 1667 N TYR A 108 26.201 1.936 -7.644 1.00 0.01 N ATOM 1668 CA TYR A 108 26.051 0.823 -6.655 1.00 0.00 C ATOM 1669 C TYR A 108 24.961 -0.130 -7.166 1.00 0.01 C ATOM 1670 O TYR A 108 23.933 0.290 -7.660 1.00 0.01 O ATOM 1671 CB TYR A 108 25.634 1.387 -5.296 1.00 0.54 C ATOM 1672 CG TYR A 108 26.828 2.018 -4.617 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.131 3.366 -4.847 1.00 0.93 C ATOM 1674 CD2 TYR A 108 27.628 1.257 -3.756 1.00 1.24 C ATOM 1675 CE1 TYR A 108 28.234 3.952 -4.217 1.00 1.51 C ATOM 1676 CE2 TYR A 108 28.732 1.844 -3.126 1.00 1.76 C ATOM 1677 CZ TYR A 108 29.035 3.190 -3.356 1.00 1.82 C ATOM 1678 OH TYR A 108 30.124 3.768 -2.733 1.00 2.48 O ATOM 0 H TYR A 108 25.323 2.371 -7.928 1.00 0.01 H new ATOM 0 HA TYR A 108 26.998 0.295 -6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.844 2.127 -5.426 1.00 0.54 H new ATOM 0 HB3 TYR A 108 25.227 0.592 -4.671 1.00 0.54 H new ATOM 0 HD1 TYR A 108 26.513 3.953 -5.511 1.00 0.93 H new ATOM 0 HD2 TYR A 108 27.394 0.218 -3.578 1.00 1.24 H new ATOM 0 HE1 TYR A 108 28.468 4.991 -4.394 1.00 1.51 H new ATOM 0 HE2 TYR A 108 29.350 1.257 -2.462 1.00 1.76 H new ATOM 0 HH TYR A 108 30.934 3.584 -3.253 1.00 2.48 H new ATOM 1688 N GLU A 109 25.207 -1.412 -7.078 1.00 0.01 N ATOM 1689 CA GLU A 109 24.228 -2.431 -7.586 1.00 0.01 C ATOM 1690 C GLU A 109 23.736 -3.308 -6.434 1.00 0.01 C ATOM 1691 O GLU A 109 24.511 -3.772 -5.622 1.00 0.01 O ATOM 1692 CB GLU A 109 24.951 -3.292 -8.622 1.00 0.01 C ATOM 1693 CG GLU A 109 23.945 -4.186 -9.348 1.00 0.01 C ATOM 1694 CD GLU A 109 24.696 -5.263 -10.131 1.00 0.00 C ATOM 1695 OE1 GLU A 109 25.219 -4.944 -11.186 1.00 0.00 O ATOM 1696 OE2 GLU A 109 24.737 -6.388 -9.663 1.00 0.00 O ATOM 0 H GLU A 109 26.055 -1.805 -6.671 1.00 0.01 H new ATOM 0 HA GLU A 109 23.364 -1.938 -8.031 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.469 -2.655 -9.339 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.709 -3.904 -8.134 1.00 0.01 H new ATOM 0 HG2 GLU A 109 23.268 -4.648 -8.630 1.00 0.01 H new ATOM 0 HG3 GLU A 109 23.333 -3.589 -10.024 1.00 0.01 H new ATOM 1703 N THR A 110 22.444 -3.542 -6.349 1.00 0.01 N ATOM 1704 CA THR A 110 21.917 -4.393 -5.236 1.00 0.00 C ATOM 1705 C THR A 110 20.662 -5.162 -5.675 1.00 0.01 C ATOM 1706 O THR A 110 19.884 -4.719 -6.500 1.00 0.01 O ATOM 1707 CB THR A 110 21.565 -3.511 -4.034 1.00 1.21 C ATOM 1708 OG1 THR A 110 21.020 -4.317 -2.999 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.544 -2.455 -4.457 1.00 1.69 C ATOM 0 H THR A 110 21.741 -3.184 -6.996 1.00 0.01 H new ATOM 0 HA THR A 110 22.691 -5.110 -4.963 1.00 0.00 H new ATOM 0 HB THR A 110 22.465 -3.016 -3.670 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.796 -3.754 -2.229 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.294 -1.828 -3.602 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.967 -1.837 -5.249 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.642 -2.946 -4.823 1.00 1.69 H new ATOM 1717 N THR A 111 20.486 -6.326 -5.104 1.00 0.00 N ATOM 1718 CA THR A 111 19.307 -7.194 -5.433 1.00 0.01 C ATOM 1719 C THR A 111 18.349 -7.271 -4.234 1.00 0.01 C ATOM 1720 O THR A 111 17.446 -8.082 -4.220 1.00 0.01 O ATOM 1721 CB THR A 111 19.801 -8.601 -5.774 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.327 -9.213 -4.604 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.894 -8.518 -6.842 1.00 0.01 C ATOM 0 H THR A 111 21.120 -6.722 -4.410 1.00 0.00 H new ATOM 0 HA THR A 111 18.776 -6.766 -6.283 1.00 0.01 H new ATOM 0 HB THR A 111 18.970 -9.194 -6.154 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.642 -10.115 -4.820 1.00 0.01 H new ATOM 0 HG21 THR A 111 21.244 -9.522 -7.083 1.00 0.01 H new ATOM 0 HG22 THR A 111 20.491 -8.049 -7.740 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.727 -7.924 -6.465 1.00 0.01 H new ATOM 1731 N GLU A 112 18.557 -6.464 -3.216 1.00 0.01 N ATOM 1732 CA GLU A 112 17.671 -6.527 -1.997 1.00 0.01 C ATOM 1733 C GLU A 112 16.975 -5.183 -1.735 1.00 0.01 C ATOM 1734 O GLU A 112 17.381 -4.150 -2.228 1.00 0.01 O ATOM 1735 CB GLU A 112 18.533 -6.881 -0.783 1.00 0.85 C ATOM 1736 CG GLU A 112 19.169 -8.257 -0.992 1.00 1.61 C ATOM 1737 CD GLU A 112 18.085 -9.336 -0.932 1.00 2.51 C ATOM 1738 OE1 GLU A 112 17.071 -9.093 -0.299 1.00 3.21 O ATOM 1739 OE2 GLU A 112 18.288 -10.384 -1.521 1.00 3.07 O ATOM 0 H GLU A 112 19.299 -5.765 -3.174 1.00 0.01 H new ATOM 0 HA GLU A 112 16.903 -7.281 -2.168 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.308 -6.128 -0.642 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.924 -6.884 0.121 1.00 0.85 H new ATOM 0 HG2 GLU A 112 19.678 -8.291 -1.955 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.923 -8.441 -0.226 1.00 1.61 H new ATOM 1746 N ASP A 113 15.938 -5.201 -0.930 1.00 0.01 N ATOM 1747 CA ASP A 113 15.211 -3.939 -0.583 1.00 0.01 C ATOM 1748 C ASP A 113 16.138 -3.068 0.263 1.00 0.00 C ATOM 1749 O ASP A 113 17.036 -3.561 0.917 1.00 0.01 O ATOM 1750 CB ASP A 113 13.963 -4.280 0.234 1.00 0.01 C ATOM 1751 CG ASP A 113 12.975 -5.056 -0.638 1.00 0.01 C ATOM 1752 OD1 ASP A 113 13.427 -5.800 -1.492 1.00 0.00 O ATOM 1753 OD2 ASP A 113 11.783 -4.893 -0.438 1.00 0.00 O ATOM 0 H ASP A 113 15.562 -6.044 -0.495 1.00 0.01 H new ATOM 0 HA ASP A 113 14.917 -3.413 -1.491 1.00 0.01 H new ATOM 0 HB2 ASP A 113 14.238 -4.873 1.106 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.497 -3.367 0.604 1.00 0.01 H new ATOM 1758 N CYS A 114 15.902 -1.774 0.284 1.00 0.01 N ATOM 1759 CA CYS A 114 16.742 -0.857 1.120 1.00 0.01 C ATOM 1760 C CYS A 114 15.812 -0.002 2.012 1.00 0.01 C ATOM 1761 O CYS A 114 15.081 0.824 1.496 1.00 0.01 O ATOM 1762 CB CYS A 114 17.531 0.077 0.203 1.00 0.01 C ATOM 1763 SG CYS A 114 18.788 0.950 1.169 1.00 0.01 S ATOM 0 H CYS A 114 15.161 -1.314 -0.244 1.00 0.01 H new ATOM 0 HA CYS A 114 17.426 -1.442 1.735 1.00 0.01 H new ATOM 0 HB2 CYS A 114 18.003 -0.494 -0.596 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.859 0.793 -0.270 1.00 0.01 H new ATOM 0 HG CYS A 114 19.714 0.113 1.534 1.00 0.01 H new ATOM 1769 N PRO A 115 15.826 -0.148 3.327 1.00 0.01 N ATOM 1770 CA PRO A 115 14.946 0.697 4.181 1.00 0.01 C ATOM 1771 C PRO A 115 15.494 2.125 4.287 1.00 0.01 C ATOM 1772 O PRO A 115 14.752 3.064 4.496 1.00 0.01 O ATOM 1773 CB PRO A 115 14.998 -0.033 5.533 1.00 0.01 C ATOM 1774 CG PRO A 115 16.220 -0.971 5.515 1.00 0.01 C ATOM 1775 CD PRO A 115 16.678 -1.138 4.052 1.00 0.01 C ATOM 0 HA PRO A 115 13.933 0.811 3.794 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.078 0.683 6.351 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.082 -0.602 5.696 1.00 0.01 H new ATOM 0 HG2 PRO A 115 17.026 -0.557 6.121 1.00 0.01 H new ATOM 0 HG3 PRO A 115 15.963 -1.939 5.946 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.740 -0.923 3.933 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.516 -2.153 3.690 1.00 0.01 H new ATOM 1783 N SER A 116 16.784 2.293 4.161 1.00 0.01 N ATOM 1784 CA SER A 116 17.384 3.658 4.261 1.00 0.02 C ATOM 1785 C SER A 116 18.538 3.773 3.263 1.00 0.01 C ATOM 1786 O SER A 116 19.576 3.156 3.414 1.00 0.00 O ATOM 1787 CB SER A 116 17.901 3.878 5.684 1.00 0.01 C ATOM 1788 OG SER A 116 18.576 5.128 5.751 1.00 0.01 O ATOM 0 H SER A 116 17.452 1.541 3.992 1.00 0.01 H new ATOM 0 HA SER A 116 16.633 4.414 4.032 1.00 0.02 H new ATOM 0 HB2 SER A 116 17.072 3.861 6.391 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.577 3.071 5.966 1.00 0.01 H new ATOM 0 HG SER A 116 18.907 5.273 6.662 1.00 0.01 H new ATOM 1794 N ILE A 117 18.336 4.541 2.225 1.00 0.01 N ATOM 1795 CA ILE A 117 19.378 4.699 1.172 1.00 0.01 C ATOM 1796 C ILE A 117 20.634 5.352 1.753 1.00 0.01 C ATOM 1797 O ILE A 117 21.737 5.003 1.385 1.00 0.00 O ATOM 1798 CB ILE A 117 18.811 5.577 0.047 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.716 4.800 -0.693 1.00 1.44 C ATOM 1800 CG2 ILE A 117 19.917 5.955 -0.944 1.00 0.93 C ATOM 1801 CD1 ILE A 117 16.946 5.744 -1.622 1.00 1.83 C ATOM 0 H ILE A 117 17.481 5.072 2.061 1.00 0.01 H new ATOM 0 HA ILE A 117 19.650 3.718 0.783 1.00 0.01 H new ATOM 0 HB ILE A 117 18.399 6.488 0.481 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.160 3.989 -1.270 1.00 1.44 H new ATOM 0 HG13 ILE A 117 17.033 4.344 0.024 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.499 6.577 -1.735 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.699 6.507 -0.423 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.340 5.050 -1.379 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.169 5.186 -2.145 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.488 6.539 -1.034 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.632 6.179 -2.349 1.00 1.83 H new ATOM 1813 N MET A 118 20.481 6.315 2.623 1.00 0.02 N ATOM 1814 CA MET A 118 21.686 6.995 3.177 1.00 0.01 C ATOM 1815 C MET A 118 22.467 6.041 4.080 1.00 0.01 C ATOM 1816 O MET A 118 23.679 6.059 4.105 1.00 0.02 O ATOM 1817 CB MET A 118 21.272 8.241 3.969 1.00 0.24 C ATOM 1818 CG MET A 118 22.517 9.002 4.441 1.00 0.63 C ATOM 1819 SD MET A 118 23.169 8.223 5.938 1.00 1.20 S ATOM 1820 CE MET A 118 23.918 9.704 6.658 1.00 1.34 C ATOM 0 H MET A 118 19.585 6.656 2.970 1.00 0.02 H new ATOM 0 HA MET A 118 22.326 7.297 2.348 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.654 8.889 3.347 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.666 7.951 4.827 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.275 9.001 3.658 1.00 0.63 H new ATOM 0 HG3 MET A 118 22.266 10.044 4.640 1.00 0.63 H new ATOM 0 HE1 MET A 118 24.388 9.449 7.608 1.00 1.34 H new ATOM 0 HE2 MET A 118 24.670 10.100 5.976 1.00 1.34 H new ATOM 0 HE3 MET A 118 23.148 10.457 6.825 1.00 1.34 H new ATOM 1830 N GLU A 119 21.807 5.213 4.830 1.00 0.01 N ATOM 1831 CA GLU A 119 22.555 4.289 5.724 1.00 0.02 C ATOM 1832 C GLU A 119 23.286 3.231 4.890 1.00 0.02 C ATOM 1833 O GLU A 119 24.379 2.813 5.218 1.00 0.01 O ATOM 1834 CB GLU A 119 21.570 3.604 6.679 1.00 0.30 C ATOM 1835 CG GLU A 119 22.322 3.006 7.873 1.00 0.99 C ATOM 1836 CD GLU A 119 23.192 1.839 7.403 1.00 1.69 C ATOM 1837 OE1 GLU A 119 22.746 1.104 6.539 1.00 2.11 O ATOM 1838 OE2 GLU A 119 24.289 1.699 7.918 1.00 2.07 O ATOM 0 H GLU A 119 20.791 5.133 4.865 1.00 0.01 H new ATOM 0 HA GLU A 119 23.289 4.855 6.298 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.831 4.324 7.029 1.00 0.30 H new ATOM 0 HB3 GLU A 119 21.027 2.820 6.152 1.00 0.30 H new ATOM 0 HG2 GLU A 119 22.943 3.769 8.343 1.00 0.99 H new ATOM 0 HG3 GLU A 119 21.613 2.663 8.627 1.00 0.99 H new ATOM 1845 N GLN A 120 22.665 2.757 3.846 1.00 0.00 N ATOM 1846 CA GLN A 120 23.295 1.677 3.029 1.00 0.01 C ATOM 1847 C GLN A 120 24.354 2.222 2.063 1.00 0.01 C ATOM 1848 O GLN A 120 25.415 1.647 1.918 1.00 0.01 O ATOM 1849 CB GLN A 120 22.204 0.963 2.226 1.00 0.52 C ATOM 1850 CG GLN A 120 22.764 -0.331 1.628 1.00 1.07 C ATOM 1851 CD GLN A 120 22.990 -1.353 2.744 1.00 1.08 C ATOM 1852 OE1 GLN A 120 24.060 -1.917 2.861 1.00 0.98 O ATOM 1853 NE2 GLN A 120 22.020 -1.617 3.577 1.00 2.08 N ATOM 0 H GLN A 120 21.750 3.069 3.522 1.00 0.00 H new ATOM 0 HA GLN A 120 23.794 0.989 3.712 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.353 0.739 2.870 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.839 1.614 1.431 1.00 0.52 H new ATOM 0 HG2 GLN A 120 22.071 -0.732 0.888 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.702 -0.129 1.110 1.00 1.07 H new ATOM 0 HE21 GLN A 120 21.121 -1.144 3.480 1.00 2.08 H new ATOM 0 HE22 GLN A 120 22.161 -2.296 4.325 1.00 2.08 H new ATOM 1862 N PHE A 121 24.050 3.280 1.352 1.00 0.02 N ATOM 1863 CA PHE A 121 25.016 3.811 0.327 1.00 0.01 C ATOM 1864 C PHE A 121 25.615 5.162 0.725 1.00 0.01 C ATOM 1865 O PHE A 121 26.404 5.727 -0.004 1.00 0.01 O ATOM 1866 CB PHE A 121 24.284 3.955 -1.006 1.00 0.01 C ATOM 1867 CG PHE A 121 23.596 2.653 -1.341 1.00 0.01 C ATOM 1868 CD1 PHE A 121 24.303 1.637 -1.995 1.00 0.01 C ATOM 1869 CD2 PHE A 121 22.254 2.461 -0.996 1.00 0.01 C ATOM 1870 CE1 PHE A 121 23.666 0.429 -2.305 1.00 0.01 C ATOM 1871 CE2 PHE A 121 21.617 1.253 -1.306 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.324 0.236 -1.959 1.00 0.01 C ATOM 0 H PHE A 121 23.177 3.802 1.433 1.00 0.02 H new ATOM 0 HA PHE A 121 25.842 3.104 0.250 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.553 4.761 -0.947 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.989 4.221 -1.794 1.00 0.01 H new ATOM 0 HD1 PHE A 121 25.339 1.785 -2.260 1.00 0.01 H new ATOM 0 HD2 PHE A 121 21.709 3.245 -0.490 1.00 0.01 H new ATOM 0 HE1 PHE A 121 24.211 -0.354 -2.811 1.00 0.01 H new ATOM 0 HE2 PHE A 121 20.580 1.106 -1.041 1.00 0.01 H new ATOM 0 HZ PHE A 121 21.834 -0.697 -2.195 1.00 0.01 H new ATOM 1882 N HIS A 122 25.259 5.693 1.859 1.00 0.01 N ATOM 1883 CA HIS A 122 25.825 7.008 2.267 1.00 0.01 C ATOM 1884 C HIS A 122 25.457 8.067 1.224 1.00 0.01 C ATOM 1885 O HIS A 122 26.210 8.986 0.969 1.00 0.02 O ATOM 1886 CB HIS A 122 27.348 6.890 2.391 1.00 0.01 C ATOM 1887 CG HIS A 122 27.699 5.558 2.996 1.00 0.01 C ATOM 1888 ND1 HIS A 122 26.916 4.961 3.972 1.00 0.01 N ATOM 1889 CD2 HIS A 122 28.741 4.695 2.772 1.00 0.01 C ATOM 1890 CE1 HIS A 122 27.495 3.790 4.296 1.00 0.00 C ATOM 1891 NE2 HIS A 122 28.612 3.579 3.594 1.00 0.01 N ATOM 0 H HIS A 122 24.603 5.276 2.519 1.00 0.01 H new ATOM 0 HA HIS A 122 25.413 7.305 3.232 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.812 6.990 1.410 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.737 7.697 3.011 1.00 0.01 H new ATOM 0 HD2 HIS A 122 29.541 4.857 2.065 1.00 0.01 H new ATOM 0 HE1 HIS A 122 27.104 3.105 5.033 1.00 0.00 H new ATOM 0 HE2 HIS A 122 29.236 2.774 3.649 1.00 0.01 H new ATOM 1899 N LEU A 123 24.295 7.938 0.624 1.00 0.01 N ATOM 1900 CA LEU A 123 23.850 8.930 -0.413 1.00 0.01 C ATOM 1901 C LEU A 123 22.654 9.711 0.136 1.00 0.02 C ATOM 1902 O LEU A 123 21.745 9.149 0.715 1.00 0.01 O ATOM 1903 CB LEU A 123 23.425 8.182 -1.692 1.00 0.01 C ATOM 1904 CG LEU A 123 24.654 7.872 -2.573 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.341 6.704 -3.516 1.00 0.01 C ATOM 1906 CD2 LEU A 123 25.017 9.096 -3.426 1.00 0.01 C ATOM 0 H LEU A 123 23.632 7.185 0.808 1.00 0.01 H new ATOM 0 HA LEU A 123 24.667 9.612 -0.648 1.00 0.01 H new ATOM 0 HB2 LEU A 123 22.918 7.254 -1.426 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.712 8.786 -2.253 1.00 0.01 H new ATOM 0 HG LEU A 123 25.487 7.614 -1.919 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.213 6.492 -4.134 1.00 0.01 H new ATOM 0 HD12 LEU A 123 24.088 5.821 -2.930 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.499 6.968 -4.156 1.00 0.01 H new ATOM 0 HD21 LEU A 123 25.885 8.865 -4.043 1.00 0.01 H new ATOM 0 HD22 LEU A 123 24.175 9.355 -4.067 1.00 0.01 H new ATOM 0 HD23 LEU A 123 25.249 9.938 -2.774 1.00 0.01 H new ATOM 1918 N ARG A 124 22.648 11.009 -0.035 1.00 0.01 N ATOM 1919 CA ARG A 124 21.514 11.831 0.479 1.00 0.00 C ATOM 1920 C ARG A 124 20.437 11.981 -0.599 1.00 0.01 C ATOM 1921 O ARG A 124 19.290 12.254 -0.309 1.00 0.01 O ATOM 1922 CB ARG A 124 22.025 13.220 0.871 1.00 1.67 C ATOM 1923 CG ARG A 124 20.894 14.012 1.530 1.00 1.98 C ATOM 1924 CD ARG A 124 21.432 15.355 2.023 1.00 2.92 C ATOM 1925 NE ARG A 124 21.917 16.155 0.865 1.00 3.54 N ATOM 1926 CZ ARG A 124 22.133 17.435 1.001 1.00 4.57 C ATOM 1927 NH1 ARG A 124 21.923 18.014 2.151 1.00 5.25 N ATOM 1928 NH2 ARG A 124 22.557 18.137 -0.014 1.00 5.32 N ATOM 0 H ARG A 124 23.382 11.535 -0.510 1.00 0.01 H new ATOM 0 HA ARG A 124 21.086 11.333 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.867 13.129 1.557 1.00 1.67 H new ATOM 0 HB3 ARG A 124 22.387 13.748 -0.011 1.00 1.67 H new ATOM 0 HG2 ARG A 124 20.085 14.172 0.818 1.00 1.98 H new ATOM 0 HG3 ARG A 124 20.478 13.447 2.364 1.00 1.98 H new ATOM 0 HD2 ARG A 124 20.650 15.899 2.552 1.00 2.92 H new ATOM 0 HD3 ARG A 124 22.244 15.195 2.732 1.00 2.92 H new ATOM 0 HE ARG A 124 22.080 15.703 -0.035 1.00 3.54 H new ATOM 0 HH11 ARG A 124 21.590 17.466 2.944 1.00 5.25 H new ATOM 0 HH12 ARG A 124 22.092 19.014 2.257 1.00 5.25 H new ATOM 0 HH21 ARG A 124 22.720 17.685 -0.914 1.00 5.32 H new ATOM 0 HH22 ARG A 124 22.726 19.137 0.093 1.00 5.32 H new ATOM 1942 N GLU A 125 20.804 11.824 -1.849 1.00 0.01 N ATOM 1943 CA GLU A 125 19.813 11.978 -2.957 1.00 0.01 C ATOM 1944 C GLU A 125 20.202 11.072 -4.131 1.00 0.01 C ATOM 1945 O GLU A 125 21.322 10.611 -4.223 1.00 0.01 O ATOM 1946 CB GLU A 125 19.817 13.430 -3.439 1.00 0.01 C ATOM 1947 CG GLU A 125 19.390 14.351 -2.295 1.00 0.01 C ATOM 1948 CD GLU A 125 19.082 15.742 -2.850 1.00 0.02 C ATOM 1949 OE1 GLU A 125 19.853 16.216 -3.669 1.00 0.01 O ATOM 1950 OE2 GLU A 125 18.080 16.309 -2.449 1.00 0.02 O ATOM 0 H GLU A 125 21.752 11.595 -2.149 1.00 0.01 H new ATOM 0 HA GLU A 125 18.823 11.703 -2.592 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.812 13.705 -3.789 1.00 0.01 H new ATOM 0 HB3 GLU A 125 19.139 13.545 -4.285 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.511 13.944 -1.795 1.00 0.01 H new ATOM 0 HG3 GLU A 125 20.182 14.413 -1.548 1.00 0.01 H new ATOM 1957 N ILE A 126 19.290 10.844 -5.045 1.00 0.01 N ATOM 1958 CA ILE A 126 19.600 9.999 -6.247 1.00 0.01 C ATOM 1959 C ILE A 126 19.110 10.756 -7.486 1.00 0.01 C ATOM 1960 O ILE A 126 17.987 11.220 -7.525 1.00 0.01 O ATOM 1961 CB ILE A 126 18.881 8.643 -6.132 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.652 7.766 -5.134 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.843 7.950 -7.508 1.00 2.17 C ATOM 1964 CD1 ILE A 126 18.929 6.433 -4.931 1.00 1.70 C ATOM 0 H ILE A 126 18.338 11.208 -5.012 1.00 0.01 H new ATOM 0 HA ILE A 126 20.671 9.810 -6.319 1.00 0.01 H new ATOM 0 HB ILE A 126 17.858 8.794 -5.788 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.663 7.587 -5.501 1.00 1.49 H new ATOM 0 HG13 ILE A 126 19.747 8.285 -4.180 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.333 6.991 -7.418 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.308 8.581 -8.218 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.861 7.788 -7.862 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.486 5.821 -4.221 1.00 1.70 H new ATOM 0 HD12 ILE A 126 17.927 6.618 -4.543 1.00 1.70 H new ATOM 0 HD13 ILE A 126 18.858 5.909 -5.884 1.00 1.70 H new ATOM 1976 N HIS A 127 19.954 10.920 -8.480 1.00 0.01 N ATOM 1977 CA HIS A 127 19.543 11.694 -9.698 1.00 0.01 C ATOM 1978 C HIS A 127 19.329 10.786 -10.913 1.00 0.01 C ATOM 1979 O HIS A 127 18.749 11.191 -11.899 1.00 0.01 O ATOM 1980 CB HIS A 127 20.615 12.741 -10.022 1.00 0.02 C ATOM 1981 CG HIS A 127 20.090 13.716 -11.039 1.00 0.01 C ATOM 1982 ND1 HIS A 127 19.775 13.339 -12.334 1.00 0.01 N ATOM 1983 CD2 HIS A 127 19.830 15.062 -10.967 1.00 0.01 C ATOM 1984 CE1 HIS A 127 19.350 14.438 -12.985 1.00 0.01 C ATOM 1985 NE2 HIS A 127 19.364 15.516 -12.198 1.00 0.02 N ATOM 0 H HIS A 127 20.906 10.553 -8.501 1.00 0.01 H new ATOM 0 HA HIS A 127 18.592 12.180 -9.478 1.00 0.01 H new ATOM 0 HB2 HIS A 127 20.904 13.270 -9.114 1.00 0.02 H new ATOM 0 HB3 HIS A 127 21.510 12.251 -10.404 1.00 0.02 H new ATOM 0 HD1 HIS A 127 19.851 12.399 -12.724 1.00 0.01 H new ATOM 0 HD2 HIS A 127 19.966 15.676 -10.089 1.00 0.01 H new ATOM 0 HE1 HIS A 127 19.036 14.446 -14.018 1.00 0.01 H new ATOM 1993 N SER A 128 19.759 9.551 -10.843 1.00 0.01 N ATOM 1994 CA SER A 128 19.541 8.616 -11.984 1.00 0.01 C ATOM 1995 C SER A 128 19.647 7.173 -11.475 1.00 0.01 C ATOM 1996 O SER A 128 20.353 6.893 -10.526 1.00 0.01 O ATOM 1997 CB SER A 128 20.601 8.860 -13.061 1.00 0.01 C ATOM 1998 OG SER A 128 20.272 10.036 -13.789 1.00 0.01 O ATOM 0 H SER A 128 20.251 9.152 -10.044 1.00 0.01 H new ATOM 0 HA SER A 128 18.553 8.784 -12.412 1.00 0.01 H new ATOM 0 HB2 SER A 128 21.584 8.966 -12.602 1.00 0.01 H new ATOM 0 HB3 SER A 128 20.654 8.005 -13.735 1.00 0.01 H new ATOM 0 HG SER A 128 19.561 10.522 -13.321 1.00 0.01 H new ATOM 2004 N CYS A 129 18.951 6.260 -12.098 1.00 0.01 N ATOM 2005 CA CYS A 129 18.999 4.835 -11.652 1.00 0.01 C ATOM 2006 C CYS A 129 18.314 3.959 -12.704 1.00 0.00 C ATOM 2007 O CYS A 129 17.396 4.401 -13.368 1.00 0.01 O ATOM 2008 CB CYS A 129 18.276 4.689 -10.311 1.00 0.69 C ATOM 2009 SG CYS A 129 16.672 5.524 -10.398 1.00 1.22 S ATOM 0 H CYS A 129 18.348 6.440 -12.901 1.00 0.01 H new ATOM 0 HA CYS A 129 20.037 4.523 -11.533 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.137 3.634 -10.073 1.00 0.69 H new ATOM 0 HB3 CYS A 129 18.879 5.119 -9.511 1.00 0.69 H new ATOM 0 HG CYS A 129 16.219 5.467 -11.615 1.00 1.22 H new ATOM 2015 N LYS A 130 18.750 2.727 -12.874 1.00 0.01 N ATOM 2016 CA LYS A 130 18.115 1.836 -13.903 1.00 0.01 C ATOM 2017 C LYS A 130 17.596 0.552 -13.241 1.00 0.01 C ATOM 2018 O LYS A 130 18.342 -0.280 -12.757 1.00 0.01 O ATOM 2019 CB LYS A 130 19.149 1.483 -14.987 1.00 0.55 C ATOM 2020 CG LYS A 130 18.433 1.114 -16.292 1.00 0.80 C ATOM 2021 CD LYS A 130 19.458 0.628 -17.318 1.00 0.29 C ATOM 2022 CE LYS A 130 18.781 0.468 -18.681 1.00 0.33 C ATOM 2023 NZ LYS A 130 19.705 -0.233 -19.615 1.00 1.41 N ATOM 0 H LYS A 130 19.514 2.304 -12.347 1.00 0.01 H new ATOM 0 HA LYS A 130 17.276 2.360 -14.360 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.816 2.329 -15.155 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.768 0.650 -14.654 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.693 0.336 -16.105 1.00 0.80 H new ATOM 0 HG3 LYS A 130 17.895 1.979 -16.681 1.00 0.80 H new ATOM 0 HD2 LYS A 130 20.281 1.339 -17.390 1.00 0.29 H new ATOM 0 HD3 LYS A 130 19.885 -0.323 -16.999 1.00 0.29 H new ATOM 0 HE2 LYS A 130 17.855 -0.098 -18.575 1.00 0.33 H new ATOM 0 HE3 LYS A 130 18.513 1.445 -19.083 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 19.245 -0.342 -20.541 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 20.577 0.324 -19.724 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 19.939 -1.171 -19.232 1.00 1.41 H new ATOM 2037 N VAL A 131 16.300 0.407 -13.238 1.00 0.01 N ATOM 2038 CA VAL A 131 15.629 -0.792 -12.655 1.00 0.01 C ATOM 2039 C VAL A 131 15.001 -1.571 -13.812 1.00 0.01 C ATOM 2040 O VAL A 131 14.269 -1.005 -14.599 1.00 0.01 O ATOM 2041 CB VAL A 131 14.530 -0.336 -11.682 1.00 0.01 C ATOM 2042 CG1 VAL A 131 14.173 -1.480 -10.732 1.00 0.01 C ATOM 2043 CG2 VAL A 131 15.031 0.868 -10.877 1.00 0.01 C ATOM 0 H VAL A 131 15.656 1.094 -13.629 1.00 0.01 H new ATOM 0 HA VAL A 131 16.341 -1.414 -12.113 1.00 0.01 H new ATOM 0 HB VAL A 131 13.642 -0.051 -12.246 1.00 0.01 H new ATOM 0 HG11 VAL A 131 13.394 -1.152 -10.044 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.813 -2.333 -11.308 1.00 0.01 H new ATOM 0 HG13 VAL A 131 15.057 -1.772 -10.166 1.00 0.01 H new ATOM 0 HG21 VAL A 131 14.253 1.193 -10.186 1.00 0.01 H new ATOM 0 HG22 VAL A 131 15.921 0.585 -10.314 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.276 1.684 -11.557 1.00 0.01 H new ATOM 2053 N VAL A 132 15.230 -2.863 -13.916 1.00 0.01 N ATOM 2054 CA VAL A 132 14.592 -3.653 -14.999 1.00 0.01 C ATOM 2055 C VAL A 132 13.943 -4.867 -14.354 1.00 0.00 C ATOM 2056 O VAL A 132 14.538 -5.912 -14.177 1.00 0.01 O ATOM 2057 CB VAL A 132 15.662 -4.112 -15.994 1.00 1.22 C ATOM 2058 CG1 VAL A 132 15.024 -5.009 -17.059 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.297 -2.889 -16.665 1.00 1.98 C ATOM 0 H VAL A 132 15.834 -3.397 -13.291 1.00 0.01 H new ATOM 0 HA VAL A 132 13.852 -3.056 -15.531 1.00 0.01 H new ATOM 0 HB VAL A 132 16.431 -4.674 -15.464 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.787 -5.334 -17.766 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.577 -5.881 -16.581 1.00 1.00 H new ATOM 0 HG13 VAL A 132 14.252 -4.451 -17.590 1.00 1.00 H new ATOM 0 HG21 VAL A 132 17.058 -3.217 -17.373 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.529 -2.324 -17.194 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.756 -2.255 -15.906 1.00 1.98 H new ATOM 2069 N GLU A 133 12.702 -4.717 -14.056 1.00 0.01 N ATOM 2070 CA GLU A 133 11.885 -5.813 -13.465 1.00 0.01 C ATOM 2071 C GLU A 133 10.473 -5.618 -14.005 1.00 0.01 C ATOM 2072 O GLU A 133 10.036 -6.292 -14.917 1.00 0.01 O ATOM 2073 CB GLU A 133 11.893 -5.710 -11.936 1.00 0.00 C ATOM 2074 CG GLU A 133 11.110 -6.882 -11.332 1.00 0.00 C ATOM 2075 CD GLU A 133 9.607 -6.619 -11.456 1.00 0.00 C ATOM 2076 OE1 GLU A 133 9.133 -5.691 -10.822 1.00 0.00 O ATOM 2077 OE2 GLU A 133 8.955 -7.352 -12.181 1.00 0.00 O ATOM 0 H GLU A 133 12.189 -3.847 -14.200 1.00 0.01 H new ATOM 0 HA GLU A 133 12.278 -6.796 -13.725 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.919 -5.718 -11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.449 -4.765 -11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.370 -7.808 -11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.381 -7.011 -10.284 1.00 0.00 H new ATOM 2084 N GLY A 134 9.760 -4.689 -13.435 1.00 0.01 N ATOM 2085 CA GLY A 134 8.371 -4.419 -13.883 1.00 0.01 C ATOM 2086 C GLY A 134 7.736 -3.408 -12.932 1.00 0.01 C ATOM 2087 O GLY A 134 7.489 -2.277 -13.294 1.00 0.01 O ATOM 0 H GLY A 134 10.086 -4.100 -12.669 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.372 -4.031 -14.901 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.792 -5.342 -13.894 1.00 0.01 H new ATOM 2091 N THR A 135 7.470 -3.813 -11.712 1.00 0.01 N ATOM 2092 CA THR A 135 6.847 -2.885 -10.714 1.00 0.01 C ATOM 2093 C THR A 135 7.761 -2.723 -9.491 1.00 0.01 C ATOM 2094 O THR A 135 7.972 -3.649 -8.734 1.00 0.01 O ATOM 2095 CB THR A 135 5.504 -3.461 -10.270 1.00 1.43 C ATOM 2096 OG1 THR A 135 5.726 -4.496 -9.321 1.00 1.92 O ATOM 2097 CG2 THR A 135 4.759 -4.027 -11.479 1.00 2.30 C ATOM 0 H THR A 135 7.659 -4.753 -11.363 1.00 0.01 H new ATOM 0 HA THR A 135 6.703 -1.908 -11.176 1.00 0.01 H new ATOM 0 HB THR A 135 4.904 -2.672 -9.817 1.00 1.43 H new ATOM 0 HG1 THR A 135 6.689 -4.650 -9.225 1.00 1.92 H new ATOM 0 HG21 THR A 135 3.802 -4.437 -11.157 1.00 2.30 H new ATOM 0 HG22 THR A 135 4.588 -3.233 -12.206 1.00 2.30 H new ATOM 0 HG23 THR A 135 5.356 -4.816 -11.937 1.00 2.30 H new ATOM 2105 N TRP A 136 8.282 -1.538 -9.286 1.00 0.01 N ATOM 2106 CA TRP A 136 9.171 -1.261 -8.104 1.00 0.01 C ATOM 2107 C TRP A 136 8.567 -0.073 -7.348 1.00 0.01 C ATOM 2108 O TRP A 136 7.964 0.788 -7.958 1.00 0.00 O ATOM 2109 CB TRP A 136 10.591 -0.918 -8.593 1.00 0.01 C ATOM 2110 CG TRP A 136 11.412 -2.167 -8.704 1.00 0.01 C ATOM 2111 CD1 TRP A 136 11.149 -3.202 -9.534 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.617 -2.526 -7.971 1.00 0.01 C ATOM 2113 NE1 TRP A 136 12.119 -4.174 -9.357 1.00 0.00 N ATOM 2114 CE2 TRP A 136 13.044 -3.804 -8.402 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.371 -1.872 -6.982 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 14.183 -4.410 -7.870 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.516 -2.481 -6.445 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.920 -3.746 -6.888 1.00 0.01 C ATOM 0 H TRP A 136 8.129 -0.735 -9.896 1.00 0.01 H new ATOM 0 HA TRP A 136 9.239 -2.132 -7.452 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.540 -0.419 -9.561 1.00 0.01 H new ATOM 0 HB3 TRP A 136 11.065 -0.222 -7.900 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.319 -3.261 -10.222 1.00 0.01 H new ATOM 0 HE1 TRP A 136 12.147 -5.055 -9.870 1.00 0.00 H new ATOM 0 HE3 TRP A 136 13.068 -0.896 -6.633 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.492 -5.385 -8.216 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 15.089 -1.970 -5.685 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.802 -4.208 -6.470 1.00 0.01 H new ATOM 2129 N ILE A 137 8.714 0.013 -6.037 1.00 0.01 N ATOM 2130 CA ILE A 137 8.131 1.181 -5.292 1.00 0.00 C ATOM 2131 C ILE A 137 9.233 1.932 -4.542 1.00 0.01 C ATOM 2132 O ILE A 137 10.086 1.348 -3.899 1.00 0.01 O ATOM 2133 CB ILE A 137 7.103 0.686 -4.267 1.00 0.60 C ATOM 2134 CG1 ILE A 137 6.128 -0.290 -4.936 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.322 1.884 -3.709 1.00 1.37 C ATOM 2136 CD1 ILE A 137 4.978 -0.621 -3.971 1.00 1.69 C ATOM 0 H ILE A 137 9.207 -0.668 -5.460 1.00 0.01 H new ATOM 0 HA ILE A 137 7.654 1.844 -6.014 1.00 0.00 H new ATOM 0 HB ILE A 137 7.622 0.175 -3.456 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.732 0.148 -5.852 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.651 -1.203 -5.220 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.591 1.534 -2.980 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.013 2.576 -3.227 1.00 1.37 H new ATOM 0 HG23 ILE A 137 5.807 2.394 -4.523 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.288 -1.315 -4.451 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.381 -1.078 -3.067 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.448 0.295 -3.709 1.00 1.69 H new ATOM 2148 N PHE A 138 9.189 3.233 -4.610 1.00 0.01 N ATOM 2149 CA PHE A 138 10.187 4.091 -3.899 1.00 0.01 C ATOM 2150 C PHE A 138 9.437 4.895 -2.841 1.00 0.01 C ATOM 2151 O PHE A 138 8.316 5.298 -3.061 1.00 0.00 O ATOM 2152 CB PHE A 138 10.841 5.033 -4.903 1.00 1.11 C ATOM 2153 CG PHE A 138 11.804 4.247 -5.763 1.00 1.11 C ATOM 2154 CD1 PHE A 138 13.130 4.072 -5.349 1.00 1.46 C ATOM 2155 CD2 PHE A 138 11.370 3.691 -6.971 1.00 1.54 C ATOM 2156 CE1 PHE A 138 14.020 3.341 -6.143 1.00 2.01 C ATOM 2157 CE2 PHE A 138 12.261 2.960 -7.765 1.00 2.35 C ATOM 2158 CZ PHE A 138 13.586 2.785 -7.351 1.00 2.49 C ATOM 0 H PHE A 138 8.489 3.752 -5.140 1.00 0.01 H new ATOM 0 HA PHE A 138 10.962 3.484 -3.431 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.081 5.506 -5.525 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.368 5.832 -4.381 1.00 1.11 H new ATOM 0 HD1 PHE A 138 13.466 4.501 -4.417 1.00 1.46 H new ATOM 0 HD2 PHE A 138 10.347 3.826 -7.291 1.00 1.54 H new ATOM 0 HE1 PHE A 138 15.043 3.206 -5.823 1.00 2.01 H new ATOM 0 HE2 PHE A 138 11.926 2.531 -8.698 1.00 2.35 H new ATOM 0 HZ PHE A 138 14.273 2.221 -7.964 1.00 2.49 H new ATOM 2168 N TYR A 139 10.040 5.140 -1.697 1.00 0.01 N ATOM 2169 CA TYR A 139 9.354 5.931 -0.623 1.00 0.01 C ATOM 2170 C TYR A 139 10.214 7.142 -0.246 1.00 0.01 C ATOM 2171 O TYR A 139 11.433 7.090 -0.292 1.00 0.01 O ATOM 2172 CB TYR A 139 9.141 5.049 0.608 1.00 0.01 C ATOM 2173 CG TYR A 139 8.520 3.736 0.184 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.294 2.779 -0.483 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.170 3.477 0.458 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.719 1.564 -0.876 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.597 2.262 0.066 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.372 1.306 -0.602 1.00 0.02 C ATOM 2179 OH TYR A 139 6.809 0.107 -0.987 1.00 0.00 O ATOM 0 H TYR A 139 10.981 4.824 -1.462 1.00 0.01 H new ATOM 0 HA TYR A 139 8.388 6.276 -0.991 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.092 4.869 1.109 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.494 5.555 1.324 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.334 2.978 -0.694 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.572 4.215 0.972 1.00 0.01 H new ATOM 0 HE1 TYR A 139 9.316 0.826 -1.391 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.557 2.062 0.279 1.00 0.02 H new ATOM 0 HH TYR A 139 5.866 0.088 -0.720 1.00 0.00 H new ATOM 2189 N GLU A 140 9.584 8.248 0.057 1.00 0.01 N ATOM 2190 CA GLU A 140 10.339 9.500 0.362 1.00 0.02 C ATOM 2191 C GLU A 140 10.962 9.465 1.764 1.00 0.01 C ATOM 2192 O GLU A 140 11.975 10.097 1.993 1.00 0.01 O ATOM 2193 CB GLU A 140 9.346 10.663 0.288 1.00 0.01 C ATOM 2194 CG GLU A 140 10.101 11.988 0.411 1.00 0.02 C ATOM 2195 CD GLU A 140 9.128 13.152 0.211 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.364 13.103 -0.739 1.00 0.02 O ATOM 2197 OE2 GLU A 140 9.165 14.070 1.011 1.00 0.01 O ATOM 0 H GLU A 140 8.569 8.338 0.106 1.00 0.01 H new ATOM 0 HA GLU A 140 11.152 9.610 -0.356 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.800 10.630 -0.655 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.609 10.577 1.086 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.573 12.060 1.391 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.898 12.035 -0.331 1.00 0.02 H new ATOM 2204 N LEU A 141 10.380 8.761 2.712 1.00 0.01 N ATOM 2205 CA LEU A 141 10.964 8.730 4.098 1.00 0.02 C ATOM 2206 C LEU A 141 11.443 7.299 4.409 1.00 0.01 C ATOM 2207 O LEU A 141 10.892 6.343 3.893 1.00 0.01 O ATOM 2208 CB LEU A 141 9.857 9.120 5.093 1.00 0.57 C ATOM 2209 CG LEU A 141 9.254 10.478 4.704 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.008 10.737 5.552 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.278 11.598 4.945 1.00 1.24 C ATOM 0 H LEU A 141 9.531 8.210 2.588 1.00 0.01 H new ATOM 0 HA LEU A 141 11.804 9.420 4.175 1.00 0.02 H new ATOM 0 HB2 LEU A 141 9.079 8.357 5.101 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.265 9.170 6.102 1.00 0.57 H new ATOM 0 HG LEU A 141 8.986 10.463 3.647 1.00 0.81 H new ATOM 0 HD11 LEU A 141 7.576 11.700 5.280 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.277 9.948 5.375 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.282 10.748 6.607 1.00 1.48 H new ATOM 0 HD21 LEU A 141 9.841 12.557 4.666 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.554 11.618 5.999 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.167 11.415 4.341 1.00 1.24 H new ATOM 2223 N PRO A 142 12.451 7.131 5.251 1.00 0.01 N ATOM 2224 CA PRO A 142 12.946 5.766 5.584 1.00 0.01 C ATOM 2225 C PRO A 142 11.827 4.838 6.075 1.00 0.01 C ATOM 2226 O PRO A 142 10.733 5.251 6.406 1.00 0.01 O ATOM 2227 CB PRO A 142 13.983 6.035 6.699 1.00 0.01 C ATOM 2228 CG PRO A 142 14.049 7.555 6.954 1.00 0.02 C ATOM 2229 CD PRO A 142 13.169 8.265 5.911 1.00 0.01 C ATOM 0 HA PRO A 142 13.360 5.251 4.717 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.701 5.510 7.612 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.962 5.658 6.404 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.702 7.785 7.961 1.00 0.02 H new ATOM 0 HG3 PRO A 142 15.078 7.906 6.883 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.476 8.965 6.377 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.766 8.834 5.199 1.00 0.01 H new ATOM 2237 N ASN A 143 12.144 3.576 6.134 1.00 0.01 N ATOM 2238 CA ASN A 143 11.175 2.554 6.616 1.00 0.01 C ATOM 2239 C ASN A 143 9.913 2.535 5.752 1.00 0.01 C ATOM 2240 O ASN A 143 8.838 2.195 6.205 1.00 0.01 O ATOM 2241 CB ASN A 143 10.787 2.870 8.062 1.00 0.23 C ATOM 2242 CG ASN A 143 12.041 3.222 8.864 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.179 2.666 8.551 1.00 0.75 O flip ATOM 2244 ND2 ASN A 143 11.984 4.010 9.788 1.00 0.56 N flip ATOM 0 H ASN A 143 13.053 3.202 5.863 1.00 0.01 H new ATOM 0 HA ASN A 143 11.650 1.575 6.553 1.00 0.01 H new ATOM 0 HB2 ASN A 143 10.082 3.701 8.087 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.285 2.013 8.510 1.00 0.23 H new ATOM 0 HD21 ASN A 143 11.095 4.445 10.033 1.00 0.56 H new ATOM 0 HD22 ASN A 143 12.826 4.236 10.318 1.00 0.56 H new ATOM 2251 N TYR A 144 10.050 2.860 4.495 1.00 0.01 N ATOM 2252 CA TYR A 144 8.883 2.825 3.568 1.00 0.02 C ATOM 2253 C TYR A 144 7.749 3.735 4.066 1.00 0.01 C ATOM 2254 O TYR A 144 6.614 3.316 4.169 1.00 0.01 O ATOM 2255 CB TYR A 144 8.379 1.373 3.450 1.00 0.01 C ATOM 2256 CG TYR A 144 9.550 0.426 3.626 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.633 0.486 2.742 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.558 -0.501 4.680 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.721 -0.379 2.904 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.649 -1.364 4.843 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.730 -1.304 3.955 1.00 0.01 C ATOM 2262 OH TYR A 144 12.804 -2.155 4.116 1.00 0.01 O ATOM 0 H TYR A 144 10.929 3.151 4.067 1.00 0.01 H new ATOM 0 HA TYR A 144 9.200 3.192 2.592 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.619 1.176 4.206 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.910 1.215 2.479 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.629 1.201 1.933 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.724 -0.549 5.364 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.554 -0.333 2.218 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.657 -2.077 5.655 1.00 0.01 H new ATOM 0 HH TYR A 144 12.651 -2.732 4.893 1.00 0.01 H new ATOM 2272 N ARG A 145 8.053 4.976 4.372 1.00 0.02 N ATOM 2273 CA ARG A 145 6.991 5.921 4.863 1.00 0.01 C ATOM 2274 C ARG A 145 6.984 7.193 4.006 1.00 0.01 C ATOM 2275 O ARG A 145 7.913 7.461 3.269 1.00 0.01 O ATOM 2276 CB ARG A 145 7.290 6.307 6.313 1.00 0.01 C ATOM 2277 CG ARG A 145 6.999 5.117 7.230 1.00 0.02 C ATOM 2278 CD ARG A 145 7.456 5.445 8.654 1.00 0.01 C ATOM 2279 NE ARG A 145 7.362 4.220 9.496 1.00 0.01 N ATOM 2280 CZ ARG A 145 7.967 4.175 10.653 1.00 0.01 C ATOM 2281 NH1 ARG A 145 8.649 5.204 11.074 1.00 0.02 N ATOM 2282 NH2 ARG A 145 7.887 3.100 11.387 1.00 0.01 N ATOM 0 H ARG A 145 8.989 5.377 4.304 1.00 0.02 H new ATOM 0 HA ARG A 145 6.020 5.430 4.795 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.333 6.609 6.412 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.681 7.162 6.606 1.00 0.01 H new ATOM 0 HG2 ARG A 145 5.933 4.891 7.222 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.516 4.229 6.866 1.00 0.02 H new ATOM 0 HD2 ARG A 145 8.481 5.815 8.643 1.00 0.01 H new ATOM 0 HD3 ARG A 145 6.836 6.237 9.074 1.00 0.01 H new ATOM 0 HE ARG A 145 6.825 3.416 9.169 1.00 0.01 H new ATOM 0 HH11 ARG A 145 8.710 6.045 10.500 1.00 0.02 H new ATOM 0 HH12 ARG A 145 9.121 5.168 11.977 1.00 0.02 H new ATOM 0 HH21 ARG A 145 7.353 2.296 11.057 1.00 0.01 H new ATOM 0 HH22 ARG A 145 8.359 3.063 12.291 1.00 0.01 H new ATOM 2296 N GLY A 146 5.933 7.978 4.085 1.00 0.01 N ATOM 2297 CA GLY A 146 5.859 9.232 3.276 1.00 0.02 C ATOM 2298 C GLY A 146 5.226 8.948 1.909 1.00 0.01 C ATOM 2299 O GLY A 146 4.622 7.917 1.690 1.00 0.02 O ATOM 0 H GLY A 146 5.122 7.800 4.678 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.272 9.981 3.807 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.858 9.646 3.142 1.00 0.02 H new ATOM 2303 N ARG A 147 5.365 9.869 0.994 1.00 0.01 N ATOM 2304 CA ARG A 147 4.779 9.682 -0.365 1.00 0.01 C ATOM 2305 C ARG A 147 5.544 8.579 -1.092 1.00 0.01 C ATOM 2306 O ARG A 147 6.743 8.432 -0.946 1.00 0.01 O ATOM 2307 CB ARG A 147 4.904 10.993 -1.145 1.00 0.01 C ATOM 2308 CG ARG A 147 4.239 10.841 -2.516 1.00 0.01 C ATOM 2309 CD ARG A 147 4.019 12.225 -3.132 1.00 0.01 C ATOM 2310 NE ARG A 147 5.174 13.106 -2.799 1.00 0.02 N ATOM 2311 CZ ARG A 147 5.353 14.222 -3.450 1.00 0.02 C ATOM 2312 NH1 ARG A 147 4.519 14.568 -4.393 1.00 0.01 N ATOM 2313 NH2 ARG A 147 6.363 14.994 -3.158 1.00 0.02 N ATOM 0 H ARG A 147 5.863 10.749 1.130 1.00 0.01 H new ATOM 0 HA ARG A 147 3.728 9.403 -0.284 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.434 11.804 -0.590 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.955 11.257 -1.266 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.865 10.235 -3.171 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.287 10.321 -2.415 1.00 0.01 H new ATOM 0 HD2 ARG A 147 3.912 12.141 -4.213 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.094 12.661 -2.753 1.00 0.01 H new ATOM 0 HE ARG A 147 5.825 12.836 -2.062 1.00 0.02 H new ATOM 0 HH11 ARG A 147 3.728 13.966 -4.620 1.00 0.01 H new ATOM 0 HH12 ARG A 147 4.659 15.441 -4.902 1.00 0.01 H new ATOM 0 HH21 ARG A 147 7.014 14.725 -2.420 1.00 0.02 H new ATOM 0 HH22 ARG A 147 6.502 15.866 -3.668 1.00 0.02 H new ATOM 2327 N GLN A 148 4.834 7.776 -1.850 1.00 0.01 N ATOM 2328 CA GLN A 148 5.470 6.635 -2.576 1.00 0.01 C ATOM 2329 C GLN A 148 5.382 6.858 -4.089 1.00 0.01 C ATOM 2330 O GLN A 148 4.442 7.446 -4.588 1.00 0.01 O ATOM 2331 CB GLN A 148 4.689 5.368 -2.206 1.00 0.00 C ATOM 2332 CG GLN A 148 4.330 5.405 -0.718 1.00 0.02 C ATOM 2333 CD GLN A 148 3.902 4.009 -0.258 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.931 3.707 0.919 1.00 0.02 O ATOM 2335 NE2 GLN A 148 3.504 3.139 -1.144 1.00 0.01 N ATOM 0 H GLN A 148 3.829 7.866 -1.997 1.00 0.01 H new ATOM 0 HA GLN A 148 6.521 6.547 -2.300 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.783 5.298 -2.808 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.286 4.483 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.186 5.744 -0.135 1.00 0.02 H new ATOM 0 HG3 GLN A 148 3.524 6.119 -0.546 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.479 3.392 -2.132 1.00 0.01 H new ATOM 0 HE22 GLN A 148 3.217 2.206 -0.849 1.00 0.01 H new ATOM 2344 N TYR A 149 6.357 6.374 -4.816 1.00 0.01 N ATOM 2345 CA TYR A 149 6.361 6.519 -6.307 1.00 0.01 C ATOM 2346 C TYR A 149 6.476 5.131 -6.943 1.00 0.01 C ATOM 2347 O TYR A 149 7.278 4.322 -6.519 1.00 0.01 O ATOM 2348 CB TYR A 149 7.555 7.378 -6.732 1.00 0.01 C ATOM 2349 CG TYR A 149 7.306 8.814 -6.339 1.00 0.01 C ATOM 2350 CD1 TYR A 149 6.658 9.682 -7.226 1.00 0.01 C ATOM 2351 CD2 TYR A 149 7.723 9.278 -5.086 1.00 0.01 C ATOM 2352 CE1 TYR A 149 6.427 11.014 -6.861 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.493 10.611 -4.719 1.00 0.01 C ATOM 2354 CZ TYR A 149 6.846 11.479 -5.608 1.00 0.01 C ATOM 2355 OH TYR A 149 6.618 12.791 -5.249 1.00 0.01 O ATOM 0 H TYR A 149 7.163 5.877 -4.436 1.00 0.01 H new ATOM 0 HA TYR A 149 5.438 6.998 -6.634 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.466 7.013 -6.259 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.704 7.305 -7.809 1.00 0.01 H new ATOM 0 HD1 TYR A 149 6.336 9.324 -8.193 1.00 0.01 H new ATOM 0 HD2 TYR A 149 8.222 8.608 -4.401 1.00 0.01 H new ATOM 0 HE1 TYR A 149 5.926 11.683 -7.545 1.00 0.01 H new ATOM 0 HE2 TYR A 149 7.814 10.969 -3.752 1.00 0.01 H new ATOM 0 HH TYR A 149 6.158 13.255 -5.979 1.00 0.01 H new ATOM 2365 N LEU A 150 5.683 4.831 -7.944 1.00 0.01 N ATOM 2366 CA LEU A 150 5.758 3.477 -8.581 1.00 0.01 C ATOM 2367 C LEU A 150 6.608 3.574 -9.852 1.00 0.01 C ATOM 2368 O LEU A 150 6.296 4.318 -10.761 1.00 0.01 O ATOM 2369 CB LEU A 150 4.327 3.023 -8.922 1.00 0.01 C ATOM 2370 CG LEU A 150 4.260 1.491 -9.026 1.00 0.01 C ATOM 2371 CD1 LEU A 150 2.797 1.057 -9.132 1.00 0.01 C ATOM 2372 CD2 LEU A 150 5.028 1.015 -10.267 1.00 0.01 C ATOM 0 H LEU A 150 4.990 5.462 -8.346 1.00 0.01 H new ATOM 0 HA LEU A 150 6.216 2.753 -7.907 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.636 3.372 -8.155 1.00 0.01 H new ATOM 0 HB3 LEU A 150 4.011 3.472 -9.864 1.00 0.01 H new ATOM 0 HG LEU A 150 4.712 1.049 -8.138 1.00 0.01 H new ATOM 0 HD11 LEU A 150 2.744 -0.029 -9.206 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.254 1.387 -8.246 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.348 1.503 -10.019 1.00 0.01 H new ATOM 0 HD21 LEU A 150 4.975 -0.072 -10.333 1.00 0.01 H new ATOM 0 HD22 LEU A 150 4.584 1.455 -11.160 1.00 0.01 H new ATOM 0 HD23 LEU A 150 6.071 1.324 -10.190 1.00 0.01 H new ATOM 2384 N LEU A 151 7.672 2.818 -9.930 1.00 0.01 N ATOM 2385 CA LEU A 151 8.535 2.851 -11.148 1.00 0.01 C ATOM 2386 C LEU A 151 8.141 1.687 -12.059 1.00 0.01 C ATOM 2387 O LEU A 151 7.825 0.607 -11.594 1.00 0.01 O ATOM 2388 CB LEU A 151 10.003 2.715 -10.732 1.00 0.01 C ATOM 2389 CG LEU A 151 10.919 2.864 -11.957 1.00 0.01 C ATOM 2390 CD1 LEU A 151 10.843 4.297 -12.519 1.00 0.01 C ATOM 2391 CD2 LEU A 151 12.359 2.546 -11.538 1.00 0.01 C ATOM 0 H LEU A 151 7.981 2.177 -9.200 1.00 0.01 H new ATOM 0 HA LEU A 151 8.402 3.793 -11.680 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.250 3.474 -9.990 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.167 1.745 -10.262 1.00 0.01 H new ATOM 0 HG LEU A 151 10.595 2.174 -12.736 1.00 0.01 H new ATOM 0 HD11 LEU A 151 11.498 4.383 -13.386 1.00 0.01 H new ATOM 0 HD12 LEU A 151 9.818 4.517 -12.816 1.00 0.01 H new ATOM 0 HD13 LEU A 151 11.159 5.005 -11.753 1.00 0.01 H new ATOM 0 HD21 LEU A 151 13.019 2.648 -12.399 1.00 0.01 H new ATOM 0 HD22 LEU A 151 12.672 3.238 -10.756 1.00 0.01 H new ATOM 0 HD23 LEU A 151 12.411 1.525 -11.160 1.00 0.01 H new ATOM 2403 N ASP A 152 8.154 1.901 -13.352 1.00 0.01 N ATOM 2404 CA ASP A 152 7.771 0.817 -14.313 1.00 0.01 C ATOM 2405 C ASP A 152 9.023 0.293 -15.025 1.00 0.00 C ATOM 2406 O ASP A 152 9.885 -0.311 -14.418 1.00 0.01 O ATOM 2407 CB ASP A 152 6.800 1.387 -15.350 1.00 1.04 C ATOM 2408 CG ASP A 152 6.381 0.280 -16.317 1.00 1.54 C ATOM 2409 OD1 ASP A 152 6.496 -0.877 -15.947 1.00 1.57 O ATOM 2410 OD2 ASP A 152 5.954 0.606 -17.411 1.00 2.27 O ATOM 0 H ASP A 152 8.415 2.786 -13.787 1.00 0.01 H new ATOM 0 HA ASP A 152 7.296 -0.000 -13.770 1.00 0.01 H new ATOM 0 HB2 ASP A 152 5.923 1.802 -14.853 1.00 1.04 H new ATOM 0 HB3 ASP A 152 7.273 2.203 -15.897 1.00 1.04 H new ATOM 2415 N LYS A 153 9.130 0.515 -16.310 1.00 0.01 N ATOM 2416 CA LYS A 153 10.324 0.026 -17.066 1.00 0.01 C ATOM 2417 C LYS A 153 10.614 0.985 -18.226 1.00 0.01 C ATOM 2418 O LYS A 153 10.648 0.593 -19.375 1.00 0.01 O ATOM 2419 CB LYS A 153 10.031 -1.389 -17.604 1.00 0.38 C ATOM 2420 CG LYS A 153 11.335 -2.181 -17.810 1.00 0.71 C ATOM 2421 CD LYS A 153 12.088 -1.654 -19.037 1.00 0.72 C ATOM 2422 CE LYS A 153 13.207 -2.628 -19.412 1.00 1.09 C ATOM 2423 NZ LYS A 153 13.796 -2.226 -20.721 1.00 1.84 N ATOM 0 H LYS A 153 8.440 1.015 -16.871 1.00 0.01 H new ATOM 0 HA LYS A 153 11.195 -0.012 -16.412 1.00 0.01 H new ATOM 0 HB2 LYS A 153 9.385 -1.921 -16.906 1.00 0.38 H new ATOM 0 HB3 LYS A 153 9.491 -1.319 -18.548 1.00 0.38 H new ATOM 0 HG2 LYS A 153 11.964 -2.096 -16.924 1.00 0.71 H new ATOM 0 HG3 LYS A 153 11.109 -3.239 -17.940 1.00 0.71 H new ATOM 0 HD2 LYS A 153 11.400 -1.535 -19.874 1.00 0.72 H new ATOM 0 HD3 LYS A 153 12.505 -0.670 -18.825 1.00 0.72 H new ATOM 0 HE2 LYS A 153 13.976 -2.630 -18.640 1.00 1.09 H new ATOM 0 HE3 LYS A 153 12.815 -3.643 -19.474 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 14.557 -2.887 -20.977 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 13.059 -2.246 -21.454 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 14.184 -1.264 -20.646 1.00 1.84 H new ATOM 2437 N LYS A 154 10.822 2.244 -17.928 1.00 0.00 N ATOM 2438 CA LYS A 154 11.119 3.253 -18.997 1.00 0.01 C ATOM 2439 C LYS A 154 12.512 3.843 -18.756 1.00 0.01 C ATOM 2440 O LYS A 154 13.194 3.481 -17.817 1.00 0.00 O ATOM 2441 CB LYS A 154 10.076 4.372 -18.945 1.00 0.39 C ATOM 2442 CG LYS A 154 8.679 3.762 -18.808 1.00 0.48 C ATOM 2443 CD LYS A 154 7.623 4.851 -19.015 1.00 0.97 C ATOM 2444 CE LYS A 154 6.227 4.236 -18.899 1.00 1.44 C ATOM 2445 NZ LYS A 154 5.199 5.289 -19.135 1.00 2.28 N ATOM 0 H LYS A 154 10.799 2.621 -16.981 1.00 0.00 H new ATOM 0 HA LYS A 154 11.087 2.773 -19.975 1.00 0.01 H new ATOM 0 HB2 LYS A 154 10.279 5.034 -18.103 1.00 0.39 H new ATOM 0 HB3 LYS A 154 10.133 4.979 -19.849 1.00 0.39 H new ATOM 0 HG2 LYS A 154 8.545 2.966 -19.541 1.00 0.48 H new ATOM 0 HG3 LYS A 154 8.563 3.311 -17.823 1.00 0.48 H new ATOM 0 HD2 LYS A 154 7.748 5.639 -18.273 1.00 0.97 H new ATOM 0 HD3 LYS A 154 7.748 5.313 -19.994 1.00 0.97 H new ATOM 0 HE2 LYS A 154 6.111 3.431 -19.624 1.00 1.44 H new ATOM 0 HE3 LYS A 154 6.093 3.796 -17.911 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 4.250 4.871 -19.056 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 5.305 6.043 -18.427 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 5.323 5.688 -20.087 1.00 2.28 H new ATOM 2459 N GLU A 155 12.933 4.758 -19.593 1.00 0.01 N ATOM 2460 CA GLU A 155 14.278 5.394 -19.422 1.00 0.01 C ATOM 2461 C GLU A 155 14.082 6.820 -18.906 1.00 0.01 C ATOM 2462 O GLU A 155 13.643 7.693 -19.629 1.00 0.01 O ATOM 2463 CB GLU A 155 14.996 5.439 -20.773 1.00 0.01 C ATOM 2464 CG GLU A 155 16.448 5.875 -20.570 1.00 0.01 C ATOM 2465 CD GLU A 155 17.131 6.027 -21.931 1.00 0.01 C ATOM 2466 OE1 GLU A 155 16.966 7.070 -22.539 1.00 0.01 O ATOM 2467 OE2 GLU A 155 17.807 5.097 -22.339 1.00 0.01 O ATOM 0 H GLU A 155 12.399 5.095 -20.394 1.00 0.01 H new ATOM 0 HA GLU A 155 14.875 4.818 -18.715 1.00 0.01 H new ATOM 0 HB2 GLU A 155 14.963 4.458 -21.246 1.00 0.01 H new ATOM 0 HB3 GLU A 155 14.488 6.133 -21.443 1.00 0.01 H new ATOM 0 HG2 GLU A 155 16.483 6.819 -20.027 1.00 0.01 H new ATOM 0 HG3 GLU A 155 16.978 5.139 -19.965 1.00 0.01 H new ATOM 2474 N TYR A 156 14.391 7.063 -17.656 1.00 0.00 N ATOM 2475 CA TYR A 156 14.207 8.433 -17.084 1.00 0.01 C ATOM 2476 C TYR A 156 15.536 9.190 -17.080 1.00 0.01 C ATOM 2477 O TYR A 156 16.466 8.819 -16.393 1.00 0.01 O ATOM 2478 CB TYR A 156 13.676 8.311 -15.653 1.00 0.01 C ATOM 2479 CG TYR A 156 12.475 7.395 -15.631 1.00 0.00 C ATOM 2480 CD1 TYR A 156 12.653 6.006 -15.600 1.00 0.01 C ATOM 2481 CD2 TYR A 156 11.183 7.934 -15.638 1.00 0.01 C ATOM 2482 CE1 TYR A 156 11.540 5.158 -15.575 1.00 0.01 C ATOM 2483 CE2 TYR A 156 10.069 7.085 -15.615 1.00 0.01 C ATOM 2484 CZ TYR A 156 10.248 5.697 -15.583 1.00 0.01 C ATOM 2485 OH TYR A 156 9.151 4.862 -15.558 1.00 0.01 O ATOM 0 H TYR A 156 14.763 6.371 -17.006 1.00 0.00 H new ATOM 0 HA TYR A 156 13.495 8.986 -17.697 1.00 0.01 H new ATOM 0 HB2 TYR A 156 14.455 7.921 -14.998 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.402 9.295 -15.272 1.00 0.01 H new ATOM 0 HD1 TYR A 156 13.649 5.589 -15.595 1.00 0.01 H new ATOM 0 HD2 TYR A 156 11.045 9.005 -15.661 1.00 0.01 H new ATOM 0 HE1 TYR A 156 11.678 4.087 -15.550 1.00 0.01 H new ATOM 0 HE2 TYR A 156 9.072 7.501 -15.622 1.00 0.01 H new ATOM 0 HH TYR A 156 8.331 5.399 -15.567 1.00 0.01 H new ATOM 2495 N ARG A 157 15.649 10.234 -17.860 1.00 0.01 N ATOM 2496 CA ARG A 157 16.938 10.988 -17.918 1.00 0.01 C ATOM 2497 C ARG A 157 16.918 12.158 -16.931 1.00 0.00 C ATOM 2498 O ARG A 157 17.952 12.600 -16.474 1.00 0.01 O ATOM 2499 CB ARG A 157 17.139 11.531 -19.334 1.00 0.01 C ATOM 2500 CG ARG A 157 17.193 10.365 -20.324 1.00 0.01 C ATOM 2501 CD ARG A 157 17.072 10.902 -21.752 1.00 0.00 C ATOM 2502 NE ARG A 157 17.133 9.768 -22.715 1.00 0.01 N ATOM 2503 CZ ARG A 157 16.757 9.942 -23.953 1.00 0.01 C ATOM 2504 NH1 ARG A 157 16.326 11.109 -24.344 1.00 0.01 N ATOM 2505 NH2 ARG A 157 16.808 8.948 -24.796 1.00 0.01 N ATOM 0 H ARG A 157 14.907 10.597 -18.458 1.00 0.01 H new ATOM 0 HA ARG A 157 17.753 10.315 -17.653 1.00 0.01 H new ATOM 0 HB2 ARG A 157 16.324 12.206 -19.595 1.00 0.01 H new ATOM 0 HB3 ARG A 157 18.062 12.109 -19.386 1.00 0.01 H new ATOM 0 HG2 ARG A 157 18.129 9.818 -20.208 1.00 0.01 H new ATOM 0 HG3 ARG A 157 16.386 9.662 -20.119 1.00 0.01 H new ATOM 0 HD2 ARG A 157 16.133 11.443 -21.870 1.00 0.00 H new ATOM 0 HD3 ARG A 157 17.876 11.610 -21.955 1.00 0.00 H new ATOM 0 HE ARG A 157 17.469 8.855 -22.407 1.00 0.01 H new ATOM 0 HH11 ARG A 157 16.283 11.885 -23.683 1.00 0.01 H new ATOM 0 HH12 ARG A 157 16.032 11.246 -25.311 1.00 0.01 H new ATOM 0 HH21 ARG A 157 17.142 8.035 -24.488 1.00 0.01 H new ATOM 0 HH22 ARG A 157 16.514 9.084 -25.763 1.00 0.01 H new ATOM 2519 N LYS A 158 15.755 12.649 -16.580 1.00 0.01 N ATOM 2520 CA LYS A 158 15.660 13.776 -15.597 1.00 0.01 C ATOM 2521 C LYS A 158 14.652 13.372 -14.508 1.00 0.01 C ATOM 2522 O LYS A 158 13.767 12.585 -14.769 1.00 0.01 O ATOM 2523 CB LYS A 158 15.157 15.029 -16.331 1.00 0.58 C ATOM 2524 CG LYS A 158 16.331 15.724 -17.035 1.00 0.97 C ATOM 2525 CD LYS A 158 15.853 17.028 -17.698 1.00 1.44 C ATOM 2526 CE LYS A 158 15.226 16.731 -19.065 1.00 2.13 C ATOM 2527 NZ LYS A 158 16.220 16.028 -19.928 1.00 2.54 N ATOM 0 H LYS A 158 14.859 12.315 -16.935 1.00 0.01 H new ATOM 0 HA LYS A 158 16.631 13.987 -15.148 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.395 14.754 -17.060 1.00 0.58 H new ATOM 0 HB3 LYS A 158 14.689 15.713 -15.623 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.120 15.941 -16.315 1.00 0.97 H new ATOM 0 HG3 LYS A 158 16.759 15.060 -17.786 1.00 0.97 H new ATOM 0 HD2 LYS A 158 15.125 17.524 -17.057 1.00 1.44 H new ATOM 0 HD3 LYS A 158 16.693 17.713 -17.816 1.00 1.44 H new ATOM 0 HE2 LYS A 158 14.335 16.115 -18.942 1.00 2.13 H new ATOM 0 HE3 LYS A 158 14.908 17.659 -19.540 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 16.042 16.264 -20.925 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 17.181 16.329 -19.667 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 16.131 15.001 -19.794 1.00 2.54 H new ATOM 2541 N PRO A 159 14.744 13.908 -13.310 1.00 0.01 N ATOM 2542 CA PRO A 159 13.757 13.552 -12.254 1.00 0.02 C ATOM 2543 C PRO A 159 12.335 13.884 -12.723 1.00 0.01 C ATOM 2544 O PRO A 159 11.394 13.157 -12.457 1.00 0.01 O ATOM 2545 CB PRO A 159 14.203 14.427 -11.064 1.00 0.41 C ATOM 2546 CG PRO A 159 15.331 15.365 -11.546 1.00 0.70 C ATOM 2547 CD PRO A 159 15.806 14.878 -12.927 1.00 0.28 C ATOM 0 HA PRO A 159 13.731 12.492 -12.001 1.00 0.02 H new ATOM 0 HB2 PRO A 159 13.363 15.008 -10.684 1.00 0.41 H new ATOM 0 HB3 PRO A 159 14.554 13.801 -10.244 1.00 0.41 H new ATOM 0 HG2 PRO A 159 14.971 16.392 -11.609 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.158 15.360 -10.836 1.00 0.70 H new ATOM 0 HD2 PRO A 159 15.884 15.697 -13.641 1.00 0.28 H new ATOM 0 HD3 PRO A 159 16.787 14.406 -12.875 1.00 0.28 H new ATOM 2555 N VAL A 160 12.161 14.976 -13.411 1.00 0.01 N ATOM 2556 CA VAL A 160 10.799 15.338 -13.878 1.00 0.02 C ATOM 2557 C VAL A 160 10.295 14.278 -14.862 1.00 0.02 C ATOM 2558 O VAL A 160 9.106 14.100 -15.021 1.00 0.02 O ATOM 2559 CB VAL A 160 10.847 16.700 -14.573 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.422 17.192 -14.831 1.00 0.86 C ATOM 2561 CG2 VAL A 160 11.576 17.702 -13.675 1.00 0.74 C ATOM 0 H VAL A 160 12.900 15.630 -13.668 1.00 0.01 H new ATOM 0 HA VAL A 160 10.123 15.388 -13.025 1.00 0.02 H new ATOM 0 HB VAL A 160 11.376 16.606 -15.521 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.456 18.162 -15.326 1.00 0.86 H new ATOM 0 HG12 VAL A 160 8.900 16.478 -15.468 1.00 0.86 H new ATOM 0 HG13 VAL A 160 8.893 17.287 -13.883 1.00 0.86 H new ATOM 0 HG21 VAL A 160 11.612 18.674 -14.168 1.00 0.74 H new ATOM 0 HG22 VAL A 160 11.045 17.795 -12.728 1.00 0.74 H new ATOM 0 HG23 VAL A 160 12.591 17.352 -13.489 1.00 0.74 H new ATOM 2571 N ASP A 161 11.170 13.562 -15.522 1.00 0.00 N ATOM 2572 CA ASP A 161 10.686 12.526 -16.478 1.00 0.01 C ATOM 2573 C ASP A 161 9.985 11.398 -15.715 1.00 0.01 C ATOM 2574 O ASP A 161 9.234 10.624 -16.275 1.00 0.01 O ATOM 2575 CB ASP A 161 11.860 11.938 -17.264 1.00 0.00 C ATOM 2576 CG ASP A 161 11.328 11.018 -18.363 1.00 0.02 C ATOM 2577 OD1 ASP A 161 11.015 9.880 -18.055 1.00 0.00 O ATOM 2578 OD2 ASP A 161 11.244 11.465 -19.495 1.00 0.00 O ATOM 0 H ASP A 161 12.183 13.649 -15.441 1.00 0.00 H new ATOM 0 HA ASP A 161 9.986 12.996 -17.169 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.456 12.739 -17.702 1.00 0.00 H new ATOM 0 HB3 ASP A 161 12.517 11.381 -16.595 1.00 0.00 H new ATOM 2583 N TRP A 162 10.229 11.309 -14.432 1.00 0.01 N ATOM 2584 CA TRP A 162 9.586 10.246 -13.603 1.00 0.01 C ATOM 2585 C TRP A 162 8.406 10.879 -12.865 1.00 0.01 C ATOM 2586 O TRP A 162 7.778 10.278 -12.019 1.00 0.01 O ATOM 2587 CB TRP A 162 10.616 9.710 -12.603 1.00 0.01 C ATOM 2588 CG TRP A 162 10.046 8.668 -11.691 1.00 0.02 C ATOM 2589 CD1 TRP A 162 8.904 7.960 -11.877 1.00 0.01 C ATOM 2590 CD2 TRP A 162 10.619 8.197 -10.443 1.00 0.01 C ATOM 2591 NE1 TRP A 162 8.740 7.096 -10.807 1.00 0.01 N ATOM 2592 CE2 TRP A 162 9.775 7.206 -9.898 1.00 0.01 C ATOM 2593 CE3 TRP A 162 11.784 8.545 -9.739 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 10.081 6.577 -8.690 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 12.095 7.915 -8.527 1.00 0.01 C ATOM 2596 CH2 TRP A 162 11.246 6.935 -8.003 1.00 0.01 C ATOM 0 H TRP A 162 10.852 11.933 -13.919 1.00 0.01 H new ATOM 0 HA TRP A 162 9.234 9.420 -14.221 1.00 0.01 H new ATOM 0 HB2 TRP A 162 11.460 9.288 -13.148 1.00 0.01 H new ATOM 0 HB3 TRP A 162 11.003 10.537 -12.007 1.00 0.01 H new ATOM 0 HD1 TRP A 162 8.234 8.054 -12.719 1.00 0.01 H new ATOM 0 HE1 TRP A 162 7.952 6.457 -10.703 1.00 0.01 H new ATOM 0 HE3 TRP A 162 12.444 9.303 -10.135 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 9.424 5.820 -8.289 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 12.994 8.187 -7.995 1.00 0.01 H new ATOM 0 HH2 TRP A 162 11.490 6.454 -7.067 1.00 0.01 H new ATOM 2607 N GLY A 163 8.082 12.088 -13.215 1.00 0.02 N ATOM 2608 CA GLY A 163 6.924 12.766 -12.578 1.00 0.01 C ATOM 2609 C GLY A 163 7.293 13.314 -11.197 1.00 0.01 C ATOM 2610 O GLY A 163 6.436 13.712 -10.432 1.00 0.01 O ATOM 0 H GLY A 163 8.572 12.639 -13.919 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.581 13.581 -13.215 1.00 0.01 H new ATOM 0 HA3 GLY A 163 6.095 12.064 -12.484 1.00 0.01 H new ATOM 2614 N ALA A 164 8.562 13.310 -10.852 1.00 0.01 N ATOM 2615 CA ALA A 164 8.977 13.799 -9.498 1.00 0.02 C ATOM 2616 C ALA A 164 9.496 15.230 -9.591 1.00 0.01 C ATOM 2617 O ALA A 164 10.176 15.604 -10.525 1.00 0.02 O ATOM 2618 CB ALA A 164 10.112 12.911 -8.987 1.00 0.01 C ATOM 0 H ALA A 164 9.325 12.990 -11.449 1.00 0.01 H new ATOM 0 HA ALA A 164 8.119 13.766 -8.827 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.426 13.254 -8.001 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.765 11.880 -8.919 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.955 12.965 -9.676 1.00 0.01 H new ATOM 2624 N ALA A 165 9.169 16.036 -8.615 1.00 0.02 N ATOM 2625 CA ALA A 165 9.623 17.454 -8.615 1.00 0.01 C ATOM 2626 C ALA A 165 11.004 17.581 -7.966 1.00 0.02 C ATOM 2627 O ALA A 165 11.642 18.609 -8.070 1.00 0.01 O ATOM 2628 CB ALA A 165 8.629 18.310 -7.828 1.00 0.59 C ATOM 0 H ALA A 165 8.601 15.768 -7.811 1.00 0.02 H new ATOM 0 HA ALA A 165 9.681 17.795 -9.649 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.962 19.348 -7.829 1.00 0.59 H new ATOM 0 HB2 ALA A 165 7.645 18.245 -8.292 1.00 0.59 H new ATOM 0 HB3 ALA A 165 8.570 17.948 -6.801 1.00 0.59 H new ATOM 2634 N SER A 166 11.493 16.555 -7.305 1.00 0.01 N ATOM 2635 CA SER A 166 12.848 16.641 -6.670 1.00 0.01 C ATOM 2636 C SER A 166 13.504 15.242 -6.699 1.00 0.02 C ATOM 2637 O SER A 166 12.808 14.248 -6.635 1.00 0.01 O ATOM 2638 CB SER A 166 12.699 17.101 -5.219 1.00 0.72 C ATOM 2639 OG SER A 166 12.023 18.350 -5.191 1.00 0.87 O ATOM 0 H SER A 166 11.012 15.664 -7.179 1.00 0.01 H new ATOM 0 HA SER A 166 13.468 17.353 -7.214 1.00 0.01 H new ATOM 0 HB2 SER A 166 12.142 16.360 -4.646 1.00 0.72 H new ATOM 0 HB3 SER A 166 13.680 17.194 -4.752 1.00 0.72 H new ATOM 0 HG SER A 166 11.924 18.648 -4.263 1.00 0.87 H new ATOM 2645 N PRO A 167 14.821 15.138 -6.774 1.00 0.02 N ATOM 2646 CA PRO A 167 15.487 13.796 -6.784 1.00 0.01 C ATOM 2647 C PRO A 167 15.573 13.159 -5.382 1.00 0.01 C ATOM 2648 O PRO A 167 16.438 12.338 -5.123 1.00 0.01 O ATOM 2649 CB PRO A 167 16.889 14.158 -7.293 1.00 0.38 C ATOM 2650 CG PRO A 167 17.120 15.639 -6.961 1.00 0.35 C ATOM 2651 CD PRO A 167 15.742 16.313 -6.868 1.00 0.22 C ATOM 0 HA PRO A 167 14.950 13.060 -7.382 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.645 13.534 -6.817 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.965 13.987 -8.367 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.661 15.741 -6.020 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.728 16.114 -7.731 1.00 0.35 H new ATOM 0 HD2 PRO A 167 15.664 16.962 -5.996 1.00 0.22 H new ATOM 0 HD3 PRO A 167 15.530 16.928 -7.743 1.00 0.22 H new ATOM 2659 N ALA A 168 14.725 13.550 -4.463 1.00 0.01 N ATOM 2660 CA ALA A 168 14.822 12.980 -3.082 1.00 0.01 C ATOM 2661 C ALA A 168 14.100 11.629 -2.971 1.00 0.01 C ATOM 2662 O ALA A 168 12.923 11.506 -3.237 1.00 0.02 O ATOM 2663 CB ALA A 168 14.182 13.953 -2.092 1.00 0.18 C ATOM 0 H ALA A 168 13.979 14.230 -4.605 1.00 0.01 H new ATOM 0 HA ALA A 168 15.878 12.828 -2.858 1.00 0.01 H new ATOM 0 HB1 ALA A 168 14.249 13.543 -1.084 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.705 14.909 -2.131 1.00 0.18 H new ATOM 0 HB3 ALA A 168 13.134 14.102 -2.354 1.00 0.18 H new ATOM 2669 N ILE A 169 14.829 10.633 -2.536 1.00 0.01 N ATOM 2670 CA ILE A 169 14.261 9.259 -2.343 1.00 0.01 C ATOM 2671 C ILE A 169 15.012 8.627 -1.161 1.00 0.01 C ATOM 2672 O ILE A 169 16.227 8.666 -1.117 1.00 0.01 O ATOM 2673 CB ILE A 169 14.470 8.398 -3.616 1.00 1.81 C ATOM 2674 CG1 ILE A 169 14.293 9.232 -4.903 1.00 2.75 C ATOM 2675 CG2 ILE A 169 13.464 7.246 -3.636 1.00 2.24 C ATOM 2676 CD1 ILE A 169 12.820 9.628 -5.115 1.00 3.99 C ATOM 0 H ILE A 169 15.818 10.715 -2.300 1.00 0.01 H new ATOM 0 HA ILE A 169 13.189 9.312 -2.150 1.00 0.01 H new ATOM 0 HB ILE A 169 15.489 8.013 -3.587 1.00 1.81 H new ATOM 0 HG12 ILE A 169 14.908 10.130 -4.845 1.00 2.75 H new ATOM 0 HG13 ILE A 169 14.645 8.660 -5.761 1.00 2.75 H new ATOM 0 HG21 ILE A 169 13.616 6.645 -4.533 1.00 2.24 H new ATOM 0 HG22 ILE A 169 13.607 6.623 -2.753 1.00 2.24 H new ATOM 0 HG23 ILE A 169 12.451 7.648 -3.636 1.00 2.24 H new ATOM 0 HD11 ILE A 169 12.729 10.214 -6.029 1.00 3.99 H new ATOM 0 HD12 ILE A 169 12.210 8.729 -5.198 1.00 3.99 H new ATOM 0 HD13 ILE A 169 12.477 10.222 -4.268 1.00 3.99 H new ATOM 2688 N GLN A 170 14.312 8.082 -0.180 1.00 0.01 N ATOM 2689 CA GLN A 170 15.003 7.493 1.022 1.00 0.01 C ATOM 2690 C GLN A 170 14.862 5.963 1.122 1.00 0.02 C ATOM 2691 O GLN A 170 15.633 5.341 1.826 1.00 0.01 O ATOM 2692 CB GLN A 170 14.424 8.122 2.291 1.00 2.62 C ATOM 2693 CG GLN A 170 14.716 9.624 2.295 1.00 3.39 C ATOM 2694 CD GLN A 170 16.202 9.855 2.577 1.00 4.36 C ATOM 2695 OE1 GLN A 170 16.854 9.022 3.175 1.00 4.83 O ATOM 2696 NE2 GLN A 170 16.768 10.959 2.172 1.00 5.17 N ATOM 0 H GLN A 170 13.294 8.021 -0.162 1.00 0.01 H new ATOM 0 HA GLN A 170 16.065 7.712 0.912 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.349 7.950 2.337 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.860 7.654 3.173 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.445 10.060 1.333 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.110 10.121 3.052 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.221 11.658 1.670 1.00 5.17 H new ATOM 0 HE22 GLN A 170 17.758 11.123 2.357 1.00 5.17 H new ATOM 2705 N SER A 171 13.930 5.317 0.461 1.00 0.01 N ATOM 2706 CA SER A 171 13.859 3.820 0.612 1.00 0.01 C ATOM 2707 C SER A 171 13.146 3.201 -0.597 1.00 0.01 C ATOM 2708 O SER A 171 12.426 3.866 -1.314 1.00 0.01 O ATOM 2709 CB SER A 171 13.095 3.475 1.896 1.00 0.01 C ATOM 2710 OG SER A 171 11.726 3.257 1.587 1.00 0.02 O ATOM 0 H SER A 171 13.236 5.739 -0.157 1.00 0.01 H new ATOM 0 HA SER A 171 14.870 3.417 0.668 1.00 0.01 H new ATOM 0 HB2 SER A 171 13.521 2.584 2.358 1.00 0.01 H new ATOM 0 HB3 SER A 171 13.191 4.285 2.618 1.00 0.01 H new ATOM 0 HG SER A 171 11.167 3.623 2.303 1.00 0.02 H new ATOM 2716 N PHE A 172 13.328 1.916 -0.821 1.00 0.01 N ATOM 2717 CA PHE A 172 12.643 1.255 -1.978 1.00 0.01 C ATOM 2718 C PHE A 172 12.408 -0.233 -1.694 1.00 0.01 C ATOM 2719 O PHE A 172 13.128 -0.859 -0.934 1.00 0.01 O ATOM 2720 CB PHE A 172 13.482 1.416 -3.251 1.00 1.06 C ATOM 2721 CG PHE A 172 14.763 0.615 -3.157 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.748 -0.774 -3.361 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.974 1.264 -2.879 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.940 -1.506 -3.281 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.163 0.531 -2.804 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.146 -0.854 -3.004 1.00 1.92 C ATOM 0 H PHE A 172 13.917 1.304 -0.256 1.00 0.01 H new ATOM 0 HA PHE A 172 11.676 1.737 -2.122 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.905 1.088 -4.116 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.717 2.469 -3.406 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.818 -1.278 -3.579 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.989 2.332 -2.722 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.928 -2.575 -3.433 1.00 1.16 H new ATOM 0 HE2 PHE A 172 18.095 1.034 -2.592 1.00 2.02 H new ATOM 0 HZ PHE A 172 18.064 -1.419 -2.944 1.00 1.92 H new ATOM 2736 N ARG A 173 11.387 -0.803 -2.295 1.00 0.01 N ATOM 2737 CA ARG A 173 11.074 -2.249 -2.062 1.00 0.01 C ATOM 2738 C ARG A 173 10.545 -2.890 -3.352 1.00 0.01 C ATOM 2739 O ARG A 173 9.907 -2.251 -4.172 1.00 0.01 O ATOM 2740 CB ARG A 173 9.985 -2.372 -0.988 1.00 0.01 C ATOM 2741 CG ARG A 173 10.562 -2.084 0.399 1.00 0.01 C ATOM 2742 CD ARG A 173 9.415 -1.926 1.401 1.00 0.01 C ATOM 2743 NE ARG A 173 8.363 -2.946 1.131 1.00 0.01 N ATOM 2744 CZ ARG A 173 7.451 -3.196 2.031 1.00 0.01 C ATOM 2745 NH1 ARG A 173 7.461 -2.553 3.166 1.00 0.01 N ATOM 2746 NH2 ARG A 173 6.529 -4.089 1.795 1.00 0.01 N ATOM 0 H ARG A 173 10.756 -0.326 -2.939 1.00 0.01 H new ATOM 0 HA ARG A 173 11.986 -2.753 -1.742 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.175 -1.675 -1.203 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.557 -3.374 -1.009 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.220 -2.896 0.707 1.00 0.01 H new ATOM 0 HG3 ARG A 173 11.165 -1.177 0.373 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.791 -2.039 2.418 1.00 0.01 H new ATOM 0 HD3 ARG A 173 8.991 -0.925 1.327 1.00 0.01 H new ATOM 0 HE ARG A 173 8.355 -3.449 0.243 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.181 -1.855 3.350 1.00 0.01 H new ATOM 0 HH12 ARG A 173 6.748 -2.748 3.869 1.00 0.01 H new ATOM 0 HH21 ARG A 173 6.521 -4.592 0.907 1.00 0.01 H new ATOM 0 HH22 ARG A 173 5.816 -4.284 2.498 1.00 0.01 H new ATOM 2760 N ARG A 174 10.792 -4.162 -3.519 1.00 0.01 N ATOM 2761 CA ARG A 174 10.302 -4.886 -4.727 1.00 0.01 C ATOM 2762 C ARG A 174 8.887 -5.414 -4.464 1.00 0.01 C ATOM 2763 O ARG A 174 8.568 -5.837 -3.370 1.00 0.01 O ATOM 2764 CB ARG A 174 11.227 -6.069 -5.027 1.00 0.01 C ATOM 2765 CG ARG A 174 12.686 -5.616 -4.944 1.00 0.01 C ATOM 2766 CD ARG A 174 13.605 -6.795 -5.262 1.00 0.01 C ATOM 2767 NE ARG A 174 13.603 -7.751 -4.118 1.00 0.01 N ATOM 2768 CZ ARG A 174 14.065 -8.961 -4.276 1.00 0.01 C ATOM 2769 NH1 ARG A 174 14.532 -9.334 -5.434 1.00 0.01 N ATOM 2770 NH2 ARG A 174 14.061 -9.796 -3.274 1.00 0.01 N ATOM 0 H ARG A 174 11.319 -4.737 -2.861 1.00 0.01 H new ATOM 0 HA ARG A 174 10.292 -4.203 -5.577 1.00 0.01 H new ATOM 0 HB2 ARG A 174 11.045 -6.875 -4.316 1.00 0.01 H new ATOM 0 HB3 ARG A 174 11.015 -6.466 -6.020 1.00 0.01 H new ATOM 0 HG2 ARG A 174 12.865 -4.802 -5.646 1.00 0.01 H new ATOM 0 HG3 ARG A 174 12.902 -5.231 -3.947 1.00 0.01 H new ATOM 0 HD2 ARG A 174 13.269 -7.297 -6.169 1.00 0.01 H new ATOM 0 HD3 ARG A 174 14.618 -6.439 -5.451 1.00 0.01 H new ATOM 0 HE ARG A 174 13.240 -7.459 -3.211 1.00 0.01 H new ATOM 0 HH11 ARG A 174 14.536 -8.680 -6.217 1.00 0.01 H new ATOM 0 HH12 ARG A 174 14.893 -10.280 -5.558 1.00 0.01 H new ATOM 0 HH21 ARG A 174 13.697 -9.503 -2.367 1.00 0.01 H new ATOM 0 HH22 ARG A 174 14.422 -10.742 -3.397 1.00 0.01 H new ATOM 2784 N ILE A 175 8.044 -5.413 -5.464 1.00 0.01 N ATOM 2785 CA ILE A 175 6.656 -5.940 -5.270 1.00 0.01 C ATOM 2786 C ILE A 175 6.612 -7.408 -5.699 1.00 0.00 C ATOM 2787 O ILE A 175 7.035 -7.753 -6.785 1.00 0.01 O ATOM 2788 CB ILE A 175 5.654 -5.152 -6.116 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.887 -3.649 -5.940 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.234 -5.498 -5.663 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.792 -2.870 -6.678 1.00 3.04 C ATOM 0 H ILE A 175 8.253 -5.072 -6.402 1.00 0.01 H new ATOM 0 HA ILE A 175 6.390 -5.839 -4.218 1.00 0.01 H new ATOM 0 HB ILE A 175 5.786 -5.414 -7.166 1.00 1.52 H new ATOM 0 HG12 ILE A 175 5.880 -3.391 -4.881 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.868 -3.375 -6.329 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.515 -4.940 -6.262 1.00 1.75 H new ATOM 0 HG22 ILE A 175 4.061 -6.567 -5.791 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.113 -5.235 -4.612 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.959 -1.800 -6.552 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.820 -3.119 -7.739 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.817 -3.136 -6.269 1.00 3.04 H new ATOM 2803 N VAL A 176 6.107 -8.277 -4.859 1.00 0.01 N ATOM 2804 CA VAL A 176 6.036 -9.729 -5.217 1.00 0.00 C ATOM 2805 C VAL A 176 4.674 -10.293 -4.810 1.00 0.01 C ATOM 2806 O VAL A 176 4.088 -9.884 -3.826 1.00 0.00 O ATOM 2807 CB VAL A 176 7.128 -10.494 -4.467 1.00 1.38 C ATOM 2808 CG1 VAL A 176 7.230 -11.916 -5.021 1.00 1.88 C ATOM 2809 CG2 VAL A 176 8.468 -9.777 -4.648 1.00 1.89 C ATOM 0 H VAL A 176 5.739 -8.043 -3.937 1.00 0.01 H new ATOM 0 HA VAL A 176 6.176 -9.838 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 176 6.879 -10.536 -3.407 1.00 1.38 H new ATOM 0 HG11 VAL A 176 8.008 -12.460 -4.486 1.00 1.88 H new ATOM 0 HG12 VAL A 176 6.276 -12.426 -4.891 1.00 1.88 H new ATOM 0 HG13 VAL A 176 7.479 -11.876 -6.081 1.00 1.88 H new ATOM 0 HG21 VAL A 176 9.247 -10.321 -4.114 1.00 1.89 H new ATOM 0 HG22 VAL A 176 8.717 -9.734 -5.708 1.00 1.89 H new ATOM 0 HG23 VAL A 176 8.395 -8.765 -4.251 1.00 1.89 H new ATOM 2819 N GLU A 177 4.164 -11.231 -5.559 1.00 0.01 N ATOM 2820 CA GLU A 177 2.841 -11.828 -5.222 1.00 0.01 C ATOM 2821 C GLU A 177 1.827 -10.711 -4.969 1.00 0.01 C ATOM 2822 CB GLU A 177 2.978 -12.690 -3.965 1.00 2.15 C ATOM 2823 CG GLU A 177 1.655 -13.408 -3.690 1.00 3.19 C ATOM 2824 CD GLU A 177 1.825 -14.350 -2.496 1.00 4.20 C ATOM 2825 OE1 GLU A 177 2.238 -13.880 -1.449 1.00 4.89 O ATOM 2826 OE2 GLU A 177 1.541 -15.526 -2.651 1.00 4.77 O ATOM 0 H GLU A 177 4.609 -11.612 -6.394 1.00 0.01 H new ATOM 0 HA GLU A 177 2.498 -12.447 -6.051 1.00 0.01 H new ATOM 0 HB2 GLU A 177 3.778 -13.418 -4.096 1.00 2.15 H new ATOM 0 HB3 GLU A 177 3.250 -12.068 -3.113 1.00 2.15 H new ATOM 0 HG2 GLU A 177 0.870 -12.680 -3.484 1.00 3.19 H new ATOM 0 HG3 GLU A 177 1.345 -13.971 -4.570 1.00 3.19 H new TER 2833 GLU A 177