USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 749 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 109 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 51 THR OG1 : rot -65:sc= -1.2! USER MOD Set 2.2: A 97 MET CE :methyl -115:sc= -3.08 (180deg=-12.1!) USER MOD Set 3.1: A 92 ASN : amide:sc= -0.0663 X(o=-0.75,f=-0.9) USER MOD Set 3.2: A 93 ASN : amide:sc= -0.687 K(o=-0.75,f=-3.4!) USER MOD Set 4.1: A 59 MET CE :methyl -109:sc= -8.84! (180deg=-3.47!) USER MOD Set 4.2: A 88 MET CE :methyl 168:sc= -12.7! (180deg=-11.6!) USER MOD Set 4.3: B 72 THR OG1 : rot 89:sc= -5.02! USER MOD Set 5.1: A 55 SER OG : rot -169:sc= -1.69 USER MOD Set 5.2: A 57 LYS NZ :NH3+ 176:sc= 1.19 (180deg=0) USER MOD Set 6.1: A 28 THR OG1 : rot -150:sc= -5.39! USER MOD Set 6.2: A 39 THR OG1 : rot 180:sc= -1.36 USER MOD Set 7.1: A 13 SER OG : rot 79:sc= 1.18 USER MOD Set 7.2: A 32 THR OG1 : rot 138:sc= 1.09 USER MOD Single : A 3 HIS : no HE2:sc= -4.66 K(o=-4.4,f=-6.7) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -110:sc= 1.51 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 0.0998 (180deg=0.0481) USER MOD Single : A 38 HIS : no HD1:sc= -0.0965 X(o=-0.096,f=0) USER MOD Single : A 43 SER OG : rot -149:sc= -0.485 USER MOD Single : A 44 THR OG1 : rot 180:sc= -2.43! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -8.31! C(o=-8.3!,f=-15!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -150:sc= -1.19 (180deg=-3.44!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0421 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0211 K(o=-0.021,f=-0.86) USER MOD Single : A 101 LYS NZ :NH3+ -141:sc= -0.0244 (180deg=-1.34) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.005) USER MOD Single : A 111 TYR OH : rot -105:sc= 1.52 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 1.000 -14.286 4.373 1.00 0.00 N ATOM 29 CA HIS A 3 1.414 -13.606 3.151 1.00 0.00 C ATOM 30 C HIS A 3 0.337 -13.715 2.087 1.00 0.00 C ATOM 31 O HIS A 3 0.107 -12.779 1.320 1.00 0.00 O ATOM 32 CB HIS A 3 2.726 -14.197 2.627 1.00 0.00 C ATOM 33 CG HIS A 3 3.891 -14.017 3.554 1.00 0.00 C ATOM 34 ND1 HIS A 3 3.826 -14.262 4.910 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.163 -13.620 3.308 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.005 -14.023 5.457 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.832 -13.632 4.506 1.00 0.00 N ATOM 0 HA HIS A 3 1.570 -12.553 3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.584 -15.262 2.441 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.963 -13.735 1.669 1.00 0.00 H new ATOM 0 HD1 HIS A 3 2.997 -14.578 5.412 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.574 -13.345 2.348 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.250 -14.129 6.503 1.00 0.00 H new ATOM 46 N SER A 4 -0.326 -14.857 2.052 1.00 0.00 N ATOM 47 CA SER A 4 -1.389 -15.083 1.085 1.00 0.00 C ATOM 48 C SER A 4 -2.730 -14.644 1.650 1.00 0.00 C ATOM 49 O SER A 4 -3.083 -14.968 2.784 1.00 0.00 O ATOM 50 CB SER A 4 -1.455 -16.551 0.668 1.00 0.00 C ATOM 51 OG SER A 4 -0.159 -17.114 0.565 1.00 0.00 O ATOM 0 H SER A 4 -0.149 -15.641 2.680 1.00 0.00 H new ATOM 0 HA SER A 4 -1.164 -14.485 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.041 -17.112 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.969 -16.637 -0.290 1.00 0.00 H new ATOM 0 HG SER A 4 -0.231 -18.054 0.298 1.00 0.00 H new ATOM 57 N GLY A 5 -3.465 -13.900 0.844 1.00 0.00 N ATOM 58 CA GLY A 5 -4.762 -13.404 1.246 1.00 0.00 C ATOM 59 C GLY A 5 -5.565 -12.964 0.047 1.00 0.00 C ATOM 60 O GLY A 5 -5.094 -13.071 -1.082 1.00 0.00 O ATOM 0 H GLY A 5 -3.181 -13.627 -0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.302 -14.182 1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.639 -12.567 1.933 1.00 0.00 H new ATOM 64 N ALA A 6 -6.772 -12.473 0.272 1.00 0.00 N ATOM 65 CA ALA A 6 -7.606 -12.026 -0.831 1.00 0.00 C ATOM 66 C ALA A 6 -7.661 -10.507 -0.902 1.00 0.00 C ATOM 67 O ALA A 6 -7.736 -9.824 0.118 1.00 0.00 O ATOM 68 CB ALA A 6 -9.002 -12.610 -0.720 1.00 0.00 C ATOM 0 H ALA A 6 -7.192 -12.374 1.196 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.156 -12.386 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.609 -12.262 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.944 -13.698 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.457 -12.290 0.217 1.00 0.00 H new ATOM 74 N ALA A 7 -7.620 -9.992 -2.123 1.00 0.00 N ATOM 75 CA ALA A 7 -7.662 -8.555 -2.358 1.00 0.00 C ATOM 76 C ALA A 7 -8.338 -8.255 -3.686 1.00 0.00 C ATOM 77 O ALA A 7 -8.400 -9.116 -4.563 1.00 0.00 O ATOM 78 CB ALA A 7 -6.257 -7.972 -2.331 1.00 0.00 C ATOM 0 H ALA A 7 -7.557 -10.553 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.244 -8.090 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.305 -6.898 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.804 -8.159 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.653 -8.441 -3.108 1.00 0.00 H new ATOM 84 N ILE A 8 -8.849 -7.040 -3.837 1.00 0.00 N ATOM 85 CA ILE A 8 -9.518 -6.665 -5.072 1.00 0.00 C ATOM 86 C ILE A 8 -9.000 -5.341 -5.618 1.00 0.00 C ATOM 87 O ILE A 8 -8.663 -4.428 -4.864 1.00 0.00 O ATOM 88 CB ILE A 8 -11.041 -6.572 -4.880 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.597 -7.913 -4.412 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.706 -6.152 -6.180 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.734 -7.780 -3.424 1.00 0.00 C ATOM 0 H ILE A 8 -8.813 -6.307 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.296 -7.452 -5.793 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.254 -5.822 -4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.943 -8.477 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.794 -8.491 -3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.784 -6.089 -6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.324 -5.178 -6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.487 -6.887 -6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.081 -8.771 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.388 -7.243 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.554 -7.229 -3.885 1.00 0.00 H new ATOM 103 N PHE A 9 -8.950 -5.250 -6.941 1.00 0.00 N ATOM 104 CA PHE A 9 -8.484 -4.047 -7.614 1.00 0.00 C ATOM 105 C PHE A 9 -9.265 -3.822 -8.908 1.00 0.00 C ATOM 106 O PHE A 9 -9.590 -4.772 -9.621 1.00 0.00 O ATOM 107 CB PHE A 9 -6.987 -4.154 -7.907 1.00 0.00 C ATOM 108 CG PHE A 9 -6.435 -2.969 -8.642 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.583 -2.865 -10.013 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.769 -1.962 -7.962 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.076 -1.776 -10.697 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.261 -0.870 -8.639 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.414 -0.777 -10.009 1.00 0.00 C ATOM 0 H PHE A 9 -9.229 -6.001 -7.572 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.652 -3.193 -6.958 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.448 -4.272 -6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.803 -5.054 -8.494 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.100 -3.643 -10.555 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.646 -2.031 -6.891 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.197 -1.706 -11.768 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.745 -0.090 -8.098 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.017 0.075 -10.541 1.00 0.00 H new ATOM 123 N GLU A 10 -9.572 -2.561 -9.201 1.00 0.00 N ATOM 124 CA GLU A 10 -10.324 -2.206 -10.403 1.00 0.00 C ATOM 125 C GLU A 10 -11.565 -3.079 -10.558 1.00 0.00 C ATOM 126 O GLU A 10 -11.938 -3.459 -11.668 1.00 0.00 O ATOM 127 CB GLU A 10 -9.441 -2.320 -11.645 1.00 0.00 C ATOM 128 CG GLU A 10 -8.879 -0.986 -12.098 1.00 0.00 C ATOM 129 CD GLU A 10 -8.024 -1.103 -13.345 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.233 -2.060 -14.120 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.145 -0.239 -13.546 1.00 0.00 O ATOM 0 H GLU A 10 -9.311 -1.764 -8.620 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.648 -1.171 -10.296 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.617 -3.003 -11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.021 -2.758 -12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.701 -0.297 -12.290 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.283 -0.555 -11.293 1.00 0.00 H new ATOM 138 N LYS A 11 -12.207 -3.384 -9.437 1.00 0.00 N ATOM 139 CA LYS A 11 -13.417 -4.201 -9.441 1.00 0.00 C ATOM 140 C LYS A 11 -13.120 -5.640 -9.857 1.00 0.00 C ATOM 141 O LYS A 11 -14.029 -6.385 -10.222 1.00 0.00 O ATOM 142 CB LYS A 11 -14.469 -3.596 -10.379 1.00 0.00 C ATOM 143 CG LYS A 11 -14.379 -2.082 -10.513 1.00 0.00 C ATOM 144 CD LYS A 11 -15.695 -1.485 -10.986 1.00 0.00 C ATOM 145 CE LYS A 11 -16.759 -1.553 -9.902 1.00 0.00 C ATOM 146 NZ LYS A 11 -16.886 -0.264 -9.167 1.00 0.00 N ATOM 0 H LYS A 11 -11.910 -3.078 -8.511 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.807 -4.215 -8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.362 -4.045 -11.366 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.462 -3.860 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.105 -1.646 -9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.588 -1.824 -11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.540 -0.447 -11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.041 -2.019 -11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.718 -1.811 -10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.511 -2.349 -9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.621 -0.352 -8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.978 -0.030 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.148 0.491 -9.833 1.00 0.00 H new ATOM 160 N VAL A 12 -11.851 -6.035 -9.789 1.00 0.00 N ATOM 161 CA VAL A 12 -11.460 -7.393 -10.148 1.00 0.00 C ATOM 162 C VAL A 12 -10.859 -8.099 -8.943 1.00 0.00 C ATOM 163 O VAL A 12 -9.853 -7.653 -8.394 1.00 0.00 O ATOM 164 CB VAL A 12 -10.442 -7.411 -11.304 1.00 0.00 C ATOM 165 CG1 VAL A 12 -10.272 -8.824 -11.841 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.872 -6.459 -12.411 1.00 0.00 C ATOM 0 H VAL A 12 -11.081 -5.437 -9.490 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.360 -7.913 -10.477 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.479 -7.073 -10.922 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.549 -8.819 -12.657 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.914 -9.476 -11.044 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.230 -9.192 -12.207 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.140 -6.486 -13.218 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.846 -6.763 -12.794 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.938 -5.446 -12.014 1.00 0.00 H new ATOM 176 N SER A 13 -11.488 -9.190 -8.517 1.00 0.00 N ATOM 177 CA SER A 13 -11.009 -9.927 -7.357 1.00 0.00 C ATOM 178 C SER A 13 -9.909 -10.912 -7.720 1.00 0.00 C ATOM 179 O SER A 13 -9.814 -11.381 -8.853 1.00 0.00 O ATOM 180 CB SER A 13 -12.157 -10.658 -6.665 1.00 0.00 C ATOM 181 OG SER A 13 -12.822 -11.532 -7.561 1.00 0.00 O ATOM 0 H SER A 13 -12.323 -9.579 -8.954 1.00 0.00 H new ATOM 0 HA SER A 13 -10.587 -9.195 -6.669 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.772 -11.225 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.866 -9.932 -6.267 1.00 0.00 H new ATOM 0 HG SER A 13 -12.300 -12.355 -7.664 1.00 0.00 H new ATOM 187 N GLY A 14 -9.071 -11.194 -6.731 1.00 0.00 N ATOM 188 CA GLY A 14 -7.951 -12.094 -6.907 1.00 0.00 C ATOM 189 C GLY A 14 -7.293 -12.415 -5.582 1.00 0.00 C ATOM 190 O GLY A 14 -7.751 -11.958 -4.535 1.00 0.00 O ATOM 0 H GLY A 14 -9.152 -10.805 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.292 -13.015 -7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.221 -11.643 -7.579 1.00 0.00 H new ATOM 194 N ILE A 15 -6.221 -13.195 -5.614 1.00 0.00 N ATOM 195 CA ILE A 15 -5.523 -13.553 -4.388 1.00 0.00 C ATOM 196 C ILE A 15 -4.198 -12.812 -4.310 1.00 0.00 C ATOM 197 O ILE A 15 -3.462 -12.713 -5.291 1.00 0.00 O ATOM 198 CB ILE A 15 -5.259 -15.070 -4.286 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.445 -15.862 -4.843 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.988 -15.463 -2.838 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.285 -16.245 -6.298 1.00 0.00 C ATOM 0 H ILE A 15 -5.820 -13.588 -6.465 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.168 -13.267 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.378 -15.309 -4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.578 -16.767 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.353 -15.270 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.803 -16.536 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.114 -14.924 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.853 -15.210 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.162 -16.804 -6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.182 -15.344 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.396 -16.864 -6.416 1.00 0.00 H new ATOM 213 N ILE A 16 -3.927 -12.264 -3.135 1.00 0.00 N ATOM 214 CA ILE A 16 -2.721 -11.490 -2.898 1.00 0.00 C ATOM 215 C ILE A 16 -1.716 -12.287 -2.068 1.00 0.00 C ATOM 216 O ILE A 16 -2.056 -12.822 -1.014 1.00 0.00 O ATOM 217 CB ILE A 16 -3.084 -10.179 -2.173 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.848 -9.320 -1.924 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.808 -10.472 -0.866 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.178 -7.851 -1.786 1.00 0.00 C ATOM 0 H ILE A 16 -4.537 -12.344 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.260 -11.260 -3.859 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.754 -9.615 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.349 -9.663 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.145 -9.455 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.056 -9.534 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.724 -11.026 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.164 -11.066 -0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.262 -7.287 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.652 -7.497 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.859 -7.708 -0.947 1.00 0.00 H new ATOM 232 N ALA A 17 -0.483 -12.390 -2.562 1.00 0.00 N ATOM 233 CA ALA A 17 0.549 -13.155 -1.866 1.00 0.00 C ATOM 234 C ALA A 17 1.910 -12.459 -1.879 1.00 0.00 C ATOM 235 O ALA A 17 2.328 -11.911 -2.897 1.00 0.00 O ATOM 236 CB ALA A 17 0.676 -14.530 -2.498 1.00 0.00 C ATOM 0 H ALA A 17 -0.177 -11.958 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 17 0.240 -13.240 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.446 -15.100 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.277 -15.054 -2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.950 -14.424 -3.548 1.00 0.00 H new ATOM 242 N ILE A 18 2.604 -12.515 -0.740 1.00 0.00 N ATOM 243 CA ILE A 18 3.932 -11.917 -0.607 1.00 0.00 C ATOM 244 C ILE A 18 5.020 -12.943 -0.914 1.00 0.00 C ATOM 245 O ILE A 18 4.882 -14.125 -0.599 1.00 0.00 O ATOM 246 CB ILE A 18 4.166 -11.360 0.809 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.026 -10.428 1.211 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.500 -10.630 0.879 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.808 -10.366 2.704 1.00 0.00 C ATOM 0 H ILE A 18 2.265 -12.971 0.107 1.00 0.00 H new ATOM 0 HA ILE A 18 3.981 -11.097 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 18 4.192 -12.195 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.236 -9.425 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.106 -10.760 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.650 -10.242 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.306 -11.321 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.500 -9.803 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.984 -9.687 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.567 -11.361 3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.715 -10.005 3.189 1.00 0.00 H new ATOM 261 N ASN A 19 6.098 -12.480 -1.531 1.00 0.00 N ATOM 262 CA ASN A 19 7.218 -13.344 -1.888 1.00 0.00 C ATOM 263 C ASN A 19 8.514 -12.832 -1.284 1.00 0.00 C ATOM 264 O ASN A 19 9.034 -11.791 -1.688 1.00 0.00 O ATOM 265 CB ASN A 19 7.354 -13.431 -3.409 1.00 0.00 C ATOM 266 CG ASN A 19 6.542 -14.568 -3.998 1.00 0.00 C ATOM 267 OD1 ASN A 19 5.783 -15.234 -3.294 1.00 0.00 O ATOM 268 ND2 ASN A 19 6.697 -14.795 -5.298 1.00 0.00 N ATOM 0 H ASN A 19 6.222 -11.503 -1.797 1.00 0.00 H new ATOM 0 HA ASN A 19 7.019 -14.338 -1.487 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.032 -12.490 -3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.404 -13.565 -3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.176 -15.546 -5.750 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.337 -14.218 -5.844 1.00 0.00 H new ATOM 275 N GLU A 20 9.040 -13.585 -0.324 1.00 0.00 N ATOM 276 CA GLU A 20 10.289 -13.228 0.330 1.00 0.00 C ATOM 277 C GLU A 20 11.381 -14.204 -0.073 1.00 0.00 C ATOM 278 O GLU A 20 12.324 -14.456 0.678 1.00 0.00 O ATOM 279 CB GLU A 20 10.120 -13.215 1.850 1.00 0.00 C ATOM 280 CG GLU A 20 9.731 -11.856 2.408 1.00 0.00 C ATOM 281 CD GLU A 20 9.644 -11.850 3.921 1.00 0.00 C ATOM 282 OE1 GLU A 20 8.599 -12.275 4.457 1.00 0.00 O ATOM 283 OE2 GLU A 20 10.620 -11.419 4.571 1.00 0.00 O ATOM 0 H GLU A 20 8.618 -14.448 0.018 1.00 0.00 H new ATOM 0 HA GLU A 20 10.575 -12.225 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.359 -13.944 2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.053 -13.535 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.461 -11.113 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.769 -11.558 1.991 1.00 0.00 H new ATOM 290 N ASP A 21 11.238 -14.746 -1.273 1.00 0.00 N ATOM 291 CA ASP A 21 12.200 -15.698 -1.811 1.00 0.00 C ATOM 292 C ASP A 21 13.126 -15.019 -2.815 1.00 0.00 C ATOM 293 O ASP A 21 14.244 -15.478 -3.052 1.00 0.00 O ATOM 294 CB ASP A 21 11.475 -16.868 -2.478 1.00 0.00 C ATOM 295 CG ASP A 21 10.608 -16.425 -3.639 1.00 0.00 C ATOM 296 OD1 ASP A 21 9.871 -15.428 -3.484 1.00 0.00 O ATOM 297 OD2 ASP A 21 10.664 -17.075 -4.705 1.00 0.00 O ATOM 0 H ASP A 21 10.458 -14.541 -1.898 1.00 0.00 H new ATOM 0 HA ASP A 21 12.801 -16.078 -0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.209 -17.592 -2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.856 -17.377 -1.739 1.00 0.00 H new ATOM 302 N VAL A 22 12.656 -13.919 -3.398 1.00 0.00 N ATOM 303 CA VAL A 22 13.451 -13.175 -4.372 1.00 0.00 C ATOM 304 C VAL A 22 14.096 -11.955 -3.721 1.00 0.00 C ATOM 305 O VAL A 22 13.731 -11.572 -2.610 1.00 0.00 O ATOM 306 CB VAL A 22 12.610 -12.716 -5.589 1.00 0.00 C ATOM 307 CG1 VAL A 22 12.973 -13.524 -6.825 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.117 -12.815 -5.305 1.00 0.00 C ATOM 0 H VAL A 22 11.733 -13.524 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 22 14.223 -13.857 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 22 12.843 -11.668 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.372 -13.187 -7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.030 -13.385 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.778 -14.580 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.557 -12.485 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.858 -13.849 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.866 -12.182 -4.454 1.00 0.00 H new ATOM 318 N SER A 23 15.056 -11.345 -4.416 1.00 0.00 N ATOM 319 CA SER A 23 15.743 -10.167 -3.889 1.00 0.00 C ATOM 320 C SER A 23 14.734 -9.139 -3.382 1.00 0.00 C ATOM 321 O SER A 23 14.643 -8.896 -2.179 1.00 0.00 O ATOM 322 CB SER A 23 16.648 -9.547 -4.953 1.00 0.00 C ATOM 323 OG SER A 23 17.990 -9.974 -4.796 1.00 0.00 O ATOM 0 H SER A 23 15.373 -11.644 -5.338 1.00 0.00 H new ATOM 0 HA SER A 23 16.365 -10.483 -3.052 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.289 -9.823 -5.945 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.599 -8.460 -4.887 1.00 0.00 H new ATOM 0 HG SER A 23 18.547 -9.564 -5.490 1.00 0.00 H new ATOM 329 N PRO A 24 13.938 -8.534 -4.286 1.00 0.00 N ATOM 330 CA PRO A 24 12.927 -7.560 -3.897 1.00 0.00 C ATOM 331 C PRO A 24 11.683 -8.247 -3.371 1.00 0.00 C ATOM 332 O PRO A 24 10.754 -8.525 -4.128 1.00 0.00 O ATOM 333 CB PRO A 24 12.607 -6.839 -5.197 1.00 0.00 C ATOM 334 CG PRO A 24 12.839 -7.865 -6.254 1.00 0.00 C ATOM 335 CD PRO A 24 13.939 -8.766 -5.743 1.00 0.00 C ATOM 0 HA PRO A 24 13.272 -6.897 -3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.578 -6.480 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.249 -5.970 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.930 -8.434 -6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.128 -7.395 -7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.743 -9.811 -5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.902 -8.513 -6.187 1.00 0.00 H new ATOM 343 N ALA A 25 11.669 -8.523 -2.075 1.00 0.00 N ATOM 344 CA ALA A 25 10.525 -9.182 -1.455 1.00 0.00 C ATOM 345 C ALA A 25 9.252 -8.491 -1.889 1.00 0.00 C ATOM 346 O ALA A 25 8.879 -7.464 -1.340 1.00 0.00 O ATOM 347 CB ALA A 25 10.638 -9.179 0.055 1.00 0.00 C ATOM 0 H ALA A 25 12.431 -8.303 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 25 10.506 -10.222 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.770 -9.678 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.544 -9.706 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.682 -8.151 0.415 1.00 0.00 H new ATOM 353 N GLU A 26 8.625 -9.045 -2.906 1.00 0.00 N ATOM 354 CA GLU A 26 7.416 -8.468 -3.474 1.00 0.00 C ATOM 355 C GLU A 26 6.221 -9.396 -3.333 1.00 0.00 C ATOM 356 O GLU A 26 6.366 -10.554 -2.956 1.00 0.00 O ATOM 357 CB GLU A 26 7.657 -8.125 -4.938 1.00 0.00 C ATOM 358 CG GLU A 26 8.226 -9.278 -5.749 1.00 0.00 C ATOM 359 CD GLU A 26 7.608 -9.380 -7.130 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.779 -8.435 -7.928 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.953 -10.405 -7.412 1.00 0.00 O ATOM 0 H GLU A 26 8.934 -9.903 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 26 7.181 -7.560 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.716 -7.806 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.341 -7.279 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.304 -9.152 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.061 -10.212 -5.211 1.00 0.00 H new ATOM 368 N LEU A 27 5.037 -8.876 -3.641 1.00 0.00 N ATOM 369 CA LEU A 27 3.817 -9.644 -3.548 1.00 0.00 C ATOM 370 C LEU A 27 3.034 -9.515 -4.838 1.00 0.00 C ATOM 371 O LEU A 27 2.914 -8.419 -5.386 1.00 0.00 O ATOM 372 CB LEU A 27 2.972 -9.160 -2.363 1.00 0.00 C ATOM 373 CG LEU A 27 2.129 -7.908 -2.622 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.228 -7.616 -1.433 1.00 0.00 C ATOM 375 CD2 LEU A 27 3.024 -6.715 -2.918 1.00 0.00 C ATOM 0 H LEU A 27 4.905 -7.916 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 27 4.068 -10.692 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.307 -9.968 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.637 -8.962 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 27 1.500 -8.091 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.637 -6.723 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.562 -8.462 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.839 -7.453 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.408 -5.834 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.678 -6.531 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.628 -6.924 -3.801 1.00 0.00 H new ATOM 387 N THR A 28 2.503 -10.622 -5.330 1.00 0.00 N ATOM 388 CA THR A 28 1.742 -10.577 -6.561 1.00 0.00 C ATOM 389 C THR A 28 0.295 -10.958 -6.330 1.00 0.00 C ATOM 390 O THR A 28 -0.036 -11.750 -5.448 1.00 0.00 O ATOM 391 CB THR A 28 2.374 -11.457 -7.635 1.00 0.00 C ATOM 392 OG1 THR A 28 3.638 -10.950 -8.014 1.00 0.00 O ATOM 393 CG2 THR A 28 1.530 -11.584 -8.888 1.00 0.00 C ATOM 0 H THR A 28 2.584 -11.545 -4.904 1.00 0.00 H new ATOM 0 HA THR A 28 1.761 -9.548 -6.919 1.00 0.00 H new ATOM 0 HB THR A 28 2.463 -12.444 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.818 -11.185 -8.948 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.041 -12.223 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.565 -12.023 -8.634 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.376 -10.597 -9.325 1.00 0.00 H new ATOM 401 N TRP A 29 -0.552 -10.351 -7.131 1.00 0.00 N ATOM 402 CA TRP A 29 -1.984 -10.554 -7.059 1.00 0.00 C ATOM 403 C TRP A 29 -2.478 -11.333 -8.271 1.00 0.00 C ATOM 404 O TRP A 29 -2.064 -11.067 -9.395 1.00 0.00 O ATOM 405 CB TRP A 29 -2.650 -9.184 -6.992 1.00 0.00 C ATOM 406 CG TRP A 29 -4.124 -9.220 -6.783 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.783 -9.381 -5.600 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.126 -9.059 -7.786 1.00 0.00 C ATOM 409 NE1 TRP A 29 -6.138 -9.323 -5.806 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.373 -9.130 -7.141 1.00 0.00 C ATOM 411 CE3 TRP A 29 -5.088 -8.861 -9.169 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.573 -9.008 -7.829 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -6.286 -8.743 -9.852 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.512 -8.815 -9.181 1.00 0.00 C ATOM 0 H TRP A 29 -0.265 -9.696 -7.858 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.236 -11.137 -6.173 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.195 -8.613 -6.182 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.441 -8.647 -7.917 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.308 -9.532 -4.642 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.853 -9.409 -5.084 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.145 -8.801 -9.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.521 -9.064 -7.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.274 -8.593 -10.921 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.429 -8.716 -9.743 1.00 0.00 H new ATOM 425 N ARG A 30 -3.354 -12.302 -8.040 1.00 0.00 N ATOM 426 CA ARG A 30 -3.888 -13.115 -9.129 1.00 0.00 C ATOM 427 C ARG A 30 -5.412 -13.138 -9.099 1.00 0.00 C ATOM 428 O ARG A 30 -6.013 -13.581 -8.122 1.00 0.00 O ATOM 429 CB ARG A 30 -3.345 -14.542 -9.035 1.00 0.00 C ATOM 430 CG ARG A 30 -3.247 -15.246 -10.378 1.00 0.00 C ATOM 431 CD ARG A 30 -2.094 -16.237 -10.405 1.00 0.00 C ATOM 432 NE ARG A 30 -2.252 -17.288 -9.403 1.00 0.00 N ATOM 433 CZ ARG A 30 -1.254 -18.057 -8.972 1.00 0.00 C ATOM 434 NH1 ARG A 30 -0.028 -17.896 -9.452 1.00 0.00 N ATOM 435 NH2 ARG A 30 -1.484 -18.990 -8.058 1.00 0.00 N ATOM 0 H ARG A 30 -3.709 -12.545 -7.115 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.570 -12.669 -10.071 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.357 -14.516 -8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.989 -15.124 -8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.181 -15.768 -10.586 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.112 -14.507 -11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.026 -16.687 -11.395 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.157 -15.708 -10.231 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.181 -17.442 -9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.154 -17.180 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.732 -18.488 -9.118 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.425 -19.118 -7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.720 -19.579 -7.727 1.00 0.00 H new ATOM 449 N SER A 31 -6.036 -12.662 -10.176 1.00 0.00 N ATOM 450 CA SER A 31 -7.494 -12.634 -10.263 1.00 0.00 C ATOM 451 C SER A 31 -8.102 -13.968 -9.837 1.00 0.00 C ATOM 452 O SER A 31 -7.504 -15.026 -10.035 1.00 0.00 O ATOM 453 CB SER A 31 -7.936 -12.297 -11.687 1.00 0.00 C ATOM 454 OG SER A 31 -7.329 -13.164 -12.631 1.00 0.00 O ATOM 0 H SER A 31 -5.556 -12.292 -10.997 1.00 0.00 H new ATOM 0 HA SER A 31 -7.851 -11.861 -9.582 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.021 -12.375 -11.762 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.674 -11.264 -11.917 1.00 0.00 H new ATOM 0 HG SER A 31 -6.676 -12.663 -13.163 1.00 0.00 H new ATOM 460 N THR A 32 -9.295 -13.911 -9.251 1.00 0.00 N ATOM 461 CA THR A 32 -9.981 -15.115 -8.799 1.00 0.00 C ATOM 462 C THR A 32 -10.245 -16.054 -9.966 1.00 0.00 C ATOM 463 O THR A 32 -10.187 -17.275 -9.826 1.00 0.00 O ATOM 464 CB THR A 32 -11.298 -14.757 -8.107 1.00 0.00 C ATOM 465 OG1 THR A 32 -11.851 -13.572 -8.657 1.00 0.00 O ATOM 466 CG2 THR A 32 -11.154 -14.554 -6.613 1.00 0.00 C ATOM 0 H THR A 32 -9.805 -13.045 -9.079 1.00 0.00 H new ATOM 0 HA THR A 32 -9.335 -15.622 -8.082 1.00 0.00 H new ATOM 0 HB THR A 32 -11.955 -15.610 -8.277 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.819 -13.683 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.124 -14.303 -6.185 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.782 -15.471 -6.155 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.452 -13.742 -6.422 1.00 0.00 H new ATOM 505 N LYS A 36 -6.272 -12.118 -14.836 1.00 0.00 N ATOM 506 CA LYS A 36 -5.228 -11.120 -14.643 1.00 0.00 C ATOM 507 C LYS A 36 -4.399 -11.404 -13.396 1.00 0.00 C ATOM 508 O LYS A 36 -4.857 -12.065 -12.464 1.00 0.00 O ATOM 509 CB LYS A 36 -5.838 -9.727 -14.545 1.00 0.00 C ATOM 510 CG LYS A 36 -6.797 -9.556 -13.385 1.00 0.00 C ATOM 511 CD LYS A 36 -7.266 -8.116 -13.271 1.00 0.00 C ATOM 512 CE LYS A 36 -6.114 -7.178 -12.946 1.00 0.00 C ATOM 513 NZ LYS A 36 -6.528 -6.093 -12.015 1.00 0.00 N ATOM 0 HA LYS A 36 -4.567 -11.169 -15.508 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.035 -8.996 -14.451 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.364 -9.505 -15.474 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.657 -10.212 -13.520 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.309 -9.857 -12.458 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.733 -7.809 -14.207 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.028 -8.041 -12.495 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.297 -7.746 -12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.732 -6.739 -13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.826 -5.326 -12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.456 -5.723 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.592 -6.471 -11.048 1.00 0.00 H new ATOM 527 N VAL A 37 -3.176 -10.887 -13.392 1.00 0.00 N ATOM 528 CA VAL A 37 -2.263 -11.062 -12.269 1.00 0.00 C ATOM 529 C VAL A 37 -1.400 -9.817 -12.087 1.00 0.00 C ATOM 530 O VAL A 37 -0.667 -9.429 -12.997 1.00 0.00 O ATOM 531 CB VAL A 37 -1.342 -12.284 -12.466 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.766 -12.739 -11.134 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.089 -13.423 -13.147 1.00 0.00 C ATOM 0 H VAL A 37 -2.791 -10.339 -14.161 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.874 -11.226 -11.382 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.517 -11.987 -13.114 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.119 -13.602 -11.293 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.187 -11.928 -10.692 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.578 -13.014 -10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.418 -14.273 -13.275 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.938 -13.720 -12.532 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.446 -13.092 -14.123 1.00 0.00 H new ATOM 543 N HIS A 38 -1.487 -9.187 -10.918 1.00 0.00 N ATOM 544 CA HIS A 38 -0.704 -7.985 -10.657 1.00 0.00 C ATOM 545 C HIS A 38 0.399 -8.240 -9.632 1.00 0.00 C ATOM 546 O HIS A 38 0.139 -8.401 -8.443 1.00 0.00 O ATOM 547 CB HIS A 38 -1.616 -6.859 -10.166 1.00 0.00 C ATOM 548 CG HIS A 38 -0.972 -5.508 -10.205 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.601 -4.361 -9.768 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.254 -5.122 -10.632 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.791 -3.329 -9.925 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.340 -3.764 -10.447 1.00 0.00 N ATOM 0 H HIS A 38 -2.084 -9.485 -10.146 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.231 -7.691 -11.594 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.518 -6.840 -10.777 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.928 -7.075 -9.144 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.021 -5.763 -11.042 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.016 -2.304 -9.670 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.148 -3.185 -10.676 1.00 0.00 H new ATOM 561 N THR A 39 1.633 -8.234 -10.113 1.00 0.00 N ATOM 562 CA THR A 39 2.815 -8.433 -9.269 1.00 0.00 C ATOM 563 C THR A 39 3.356 -7.075 -8.825 1.00 0.00 C ATOM 564 O THR A 39 3.935 -6.344 -9.629 1.00 0.00 O ATOM 565 CB THR A 39 3.900 -9.169 -10.065 1.00 0.00 C ATOM 566 OG1 THR A 39 3.484 -10.484 -10.398 1.00 0.00 O ATOM 567 CG2 THR A 39 5.227 -9.268 -9.337 1.00 0.00 C ATOM 0 H THR A 39 1.850 -8.091 -11.099 1.00 0.00 H new ATOM 0 HA THR A 39 2.538 -9.024 -8.396 1.00 0.00 H new ATOM 0 HB THR A 39 4.048 -8.568 -10.962 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.192 -10.932 -10.906 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.945 -9.801 -9.960 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.602 -8.266 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.089 -9.808 -8.400 1.00 0.00 H new ATOM 575 N VAL A 40 3.174 -6.735 -7.556 1.00 0.00 N ATOM 576 CA VAL A 40 3.659 -5.459 -7.046 1.00 0.00 C ATOM 577 C VAL A 40 5.003 -5.631 -6.355 1.00 0.00 C ATOM 578 O VAL A 40 5.088 -6.258 -5.299 1.00 0.00 O ATOM 579 CB VAL A 40 2.664 -4.823 -6.056 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.139 -3.440 -5.629 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.274 -4.750 -6.671 1.00 0.00 C ATOM 0 H VAL A 40 2.699 -7.318 -6.867 1.00 0.00 H new ATOM 0 HA VAL A 40 3.768 -4.797 -7.905 1.00 0.00 H new ATOM 0 HB VAL A 40 2.613 -5.453 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.422 -3.009 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.112 -3.523 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.223 -2.797 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.584 -4.298 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.308 -4.144 -7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.933 -5.755 -6.919 1.00 0.00 H new ATOM 591 N VAL A 41 6.055 -5.077 -6.950 1.00 0.00 N ATOM 592 CA VAL A 41 7.378 -5.193 -6.363 1.00 0.00 C ATOM 593 C VAL A 41 7.512 -4.303 -5.137 1.00 0.00 C ATOM 594 O VAL A 41 7.744 -3.099 -5.242 1.00 0.00 O ATOM 595 CB VAL A 41 8.509 -4.872 -7.359 1.00 0.00 C ATOM 596 CG1 VAL A 41 8.439 -3.423 -7.816 1.00 0.00 C ATOM 597 CG2 VAL A 41 9.868 -5.186 -6.733 1.00 0.00 C ATOM 0 H VAL A 41 6.016 -4.552 -7.824 1.00 0.00 H new ATOM 0 HA VAL A 41 7.484 -6.238 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 41 8.382 -5.501 -8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.248 -3.223 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.482 -3.241 -8.305 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.537 -2.764 -6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.659 -4.955 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.002 -4.584 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.913 -6.243 -6.471 1.00 0.00 H new ATOM 607 N LEU A 42 7.369 -4.917 -3.969 1.00 0.00 N ATOM 608 CA LEU A 42 7.478 -4.206 -2.702 1.00 0.00 C ATOM 609 C LEU A 42 8.770 -3.397 -2.636 1.00 0.00 C ATOM 610 O LEU A 42 8.881 -2.451 -1.856 1.00 0.00 O ATOM 611 CB LEU A 42 7.438 -5.206 -1.553 1.00 0.00 C ATOM 612 CG LEU A 42 6.097 -5.924 -1.364 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.269 -7.217 -0.573 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.099 -5.004 -0.675 1.00 0.00 C ATOM 0 H LEU A 42 7.176 -5.914 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 42 6.639 -3.515 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.214 -5.954 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.687 -4.685 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 42 5.711 -6.186 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.301 -7.703 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.947 -7.883 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.683 -6.990 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.151 -5.526 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.487 -4.712 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.943 -4.114 -1.285 1.00 0.00 H new ATOM 626 N SER A 43 9.742 -3.772 -3.464 1.00 0.00 N ATOM 627 CA SER A 43 11.022 -3.075 -3.501 1.00 0.00 C ATOM 628 C SER A 43 10.807 -1.622 -3.869 1.00 0.00 C ATOM 629 O SER A 43 11.063 -0.716 -3.075 1.00 0.00 O ATOM 630 CB SER A 43 11.968 -3.741 -4.503 1.00 0.00 C ATOM 631 OG SER A 43 13.168 -4.155 -3.873 1.00 0.00 O ATOM 0 H SER A 43 9.667 -4.553 -4.116 1.00 0.00 H new ATOM 0 HA SER A 43 11.478 -3.128 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.476 -4.601 -4.956 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.198 -3.044 -5.309 1.00 0.00 H new ATOM 0 HG SER A 43 13.907 -4.110 -4.515 1.00 0.00 H new ATOM 637 N THR A 44 10.309 -1.415 -5.072 1.00 0.00 N ATOM 638 CA THR A 44 10.021 -0.087 -5.559 1.00 0.00 C ATOM 639 C THR A 44 8.941 0.560 -4.700 1.00 0.00 C ATOM 640 O THR A 44 8.830 1.785 -4.643 1.00 0.00 O ATOM 641 CB THR A 44 9.570 -0.160 -7.014 1.00 0.00 C ATOM 642 OG1 THR A 44 8.272 -0.717 -7.112 1.00 0.00 O ATOM 643 CG2 THR A 44 10.494 -0.981 -7.889 1.00 0.00 C ATOM 0 H THR A 44 10.095 -2.161 -5.734 1.00 0.00 H new ATOM 0 HA THR A 44 10.923 0.522 -5.499 1.00 0.00 H new ATOM 0 HB THR A 44 9.583 0.870 -7.370 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.002 -0.753 -8.053 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.114 -0.991 -8.911 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.492 -0.542 -7.877 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.542 -2.002 -7.510 1.00 0.00 H new ATOM 651 N ILE A 45 8.148 -0.273 -4.022 1.00 0.00 N ATOM 652 CA ILE A 45 7.087 0.229 -3.157 1.00 0.00 C ATOM 653 C ILE A 45 7.600 0.428 -1.734 1.00 0.00 C ATOM 654 O ILE A 45 7.480 -0.460 -0.890 1.00 0.00 O ATOM 655 CB ILE A 45 5.876 -0.724 -3.131 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.423 -1.046 -4.556 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.734 -0.113 -2.331 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.915 0.160 -5.316 1.00 0.00 C ATOM 0 H ILE A 45 8.222 -1.290 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 45 6.767 1.187 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 45 6.175 -1.653 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.257 -1.485 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.636 -1.799 -4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.887 -0.799 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.063 0.069 -1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.433 0.829 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.611 -0.143 -6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.060 0.587 -4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.707 0.906 -5.387 1.00 0.00 H new ATOM 670 N ASP A 46 8.179 1.597 -1.478 1.00 0.00 N ATOM 671 CA ASP A 46 8.721 1.913 -0.161 1.00 0.00 C ATOM 672 C ASP A 46 7.628 2.366 0.807 1.00 0.00 C ATOM 673 O ASP A 46 7.890 2.577 1.991 1.00 0.00 O ATOM 674 CB ASP A 46 9.795 2.998 -0.280 1.00 0.00 C ATOM 675 CG ASP A 46 11.143 2.539 0.242 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.397 1.316 0.234 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.944 3.402 0.658 1.00 0.00 O ATOM 0 H ASP A 46 8.285 2.342 -2.166 1.00 0.00 H new ATOM 0 HA ASP A 46 9.166 1.002 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.895 3.293 -1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.477 3.882 0.272 1.00 0.00 H new ATOM 682 N LYS A 47 6.403 2.511 0.307 1.00 0.00 N ATOM 683 CA LYS A 47 5.288 2.935 1.144 1.00 0.00 C ATOM 684 C LYS A 47 4.290 1.802 1.328 1.00 0.00 C ATOM 685 O LYS A 47 4.043 1.019 0.410 1.00 0.00 O ATOM 686 CB LYS A 47 4.590 4.150 0.537 1.00 0.00 C ATOM 687 CG LYS A 47 4.847 5.438 1.300 1.00 0.00 C ATOM 688 CD LYS A 47 6.103 6.138 0.808 1.00 0.00 C ATOM 689 CE LYS A 47 5.806 7.053 -0.369 1.00 0.00 C ATOM 690 NZ LYS A 47 5.690 8.477 0.051 1.00 0.00 N ATOM 0 H LYS A 47 6.160 2.342 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 47 5.687 3.211 2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.924 4.274 -0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.516 3.964 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.991 6.104 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.945 5.219 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.539 6.719 1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.844 5.394 0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.597 6.957 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.879 6.739 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.487 9.069 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.918 8.574 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.583 8.785 0.485 1.00 0.00 H new ATOM 704 N LEU A 48 3.721 1.724 2.521 1.00 0.00 N ATOM 705 CA LEU A 48 2.746 0.690 2.836 1.00 0.00 C ATOM 706 C LEU A 48 1.820 1.143 3.956 1.00 0.00 C ATOM 707 O LEU A 48 2.270 1.455 5.059 1.00 0.00 O ATOM 708 CB LEU A 48 3.454 -0.608 3.228 1.00 0.00 C ATOM 709 CG LEU A 48 2.955 -1.860 2.501 1.00 0.00 C ATOM 710 CD1 LEU A 48 4.106 -2.563 1.797 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.263 -2.804 3.473 1.00 0.00 C ATOM 0 H LEU A 48 3.918 2.366 3.289 1.00 0.00 H new ATOM 0 HA LEU A 48 2.144 0.507 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.521 -0.495 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.338 -0.758 4.301 1.00 0.00 H new ATOM 0 HG LEU A 48 2.229 -1.553 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.732 -3.450 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.555 -1.887 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.857 -2.856 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.916 -3.687 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.965 -3.104 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.412 -2.298 3.928 1.00 0.00 H new ATOM 723 N GLN A 49 0.527 1.177 3.667 1.00 0.00 N ATOM 724 CA GLN A 49 -0.462 1.592 4.651 1.00 0.00 C ATOM 725 C GLN A 49 -1.638 0.620 4.661 1.00 0.00 C ATOM 726 O GLN A 49 -2.138 0.226 3.609 1.00 0.00 O ATOM 727 CB GLN A 49 -0.955 3.009 4.352 1.00 0.00 C ATOM 728 CG GLN A 49 0.086 3.900 3.688 1.00 0.00 C ATOM 729 CD GLN A 49 0.288 3.570 2.222 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.674 3.397 1.475 1.00 0.00 O ATOM 731 NE2 GLN A 49 1.545 3.480 1.804 1.00 0.00 N ATOM 0 H GLN A 49 0.138 0.922 2.759 1.00 0.00 H new ATOM 0 HA GLN A 49 0.008 1.587 5.634 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.832 2.949 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.276 3.475 5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.220 4.942 3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.035 3.797 4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.312 3.631 2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.743 3.260 0.828 1.00 0.00 H new ATOM 740 N ALA A 50 -2.068 0.229 5.854 1.00 0.00 N ATOM 741 CA ALA A 50 -3.179 -0.707 5.999 1.00 0.00 C ATOM 742 C ALA A 50 -4.274 -0.134 6.887 1.00 0.00 C ATOM 743 O ALA A 50 -3.994 0.551 7.858 1.00 0.00 O ATOM 744 CB ALA A 50 -2.675 -2.015 6.565 1.00 0.00 C ATOM 0 H ALA A 50 -1.665 0.545 6.736 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.609 -0.882 5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.508 -2.710 6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.931 -2.440 5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.222 -1.839 7.541 1.00 0.00 H new ATOM 750 N THR A 51 -5.525 -0.416 6.559 1.00 0.00 N ATOM 751 CA THR A 51 -6.634 0.112 7.346 1.00 0.00 C ATOM 752 C THR A 51 -6.797 -0.633 8.672 1.00 0.00 C ATOM 753 O THR A 51 -7.164 -1.808 8.703 1.00 0.00 O ATOM 754 CB THR A 51 -7.935 0.061 6.546 1.00 0.00 C ATOM 755 OG1 THR A 51 -7.905 -0.987 5.597 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.226 1.354 5.808 1.00 0.00 C ATOM 0 H THR A 51 -5.798 -0.998 5.767 1.00 0.00 H new ATOM 0 HA THR A 51 -6.401 1.151 7.577 1.00 0.00 H new ATOM 0 HB THR A 51 -8.723 -0.106 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.213 -0.803 4.928 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.162 1.256 5.258 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.309 2.171 6.525 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.416 1.565 5.110 1.00 0.00 H new ATOM 764 N PRO A 52 -6.523 0.067 9.792 1.00 0.00 N ATOM 765 CA PRO A 52 -6.629 -0.480 11.144 1.00 0.00 C ATOM 766 C PRO A 52 -8.055 -0.422 11.674 1.00 0.00 C ATOM 767 O PRO A 52 -8.917 0.225 11.081 1.00 0.00 O ATOM 768 CB PRO A 52 -5.722 0.438 11.954 1.00 0.00 C ATOM 769 CG PRO A 52 -5.862 1.762 11.292 1.00 0.00 C ATOM 770 CD PRO A 52 -6.085 1.481 9.827 1.00 0.00 C ATOM 0 HA PRO A 52 -6.350 -1.533 11.190 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.029 0.480 12.999 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.688 0.092 11.939 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.698 2.321 11.713 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.968 2.367 11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.841 2.143 9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.173 1.630 9.249 1.00 0.00 H new ATOM 778 N ALA A 53 -8.297 -1.111 12.788 1.00 0.00 N ATOM 779 CA ALA A 53 -9.620 -1.153 13.421 1.00 0.00 C ATOM 780 C ALA A 53 -10.313 0.222 13.480 1.00 0.00 C ATOM 781 O ALA A 53 -11.469 0.312 13.891 1.00 0.00 O ATOM 782 CB ALA A 53 -9.504 -1.735 14.821 1.00 0.00 C ATOM 0 H ALA A 53 -7.587 -1.655 13.278 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.246 -1.790 12.796 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.489 -1.764 15.286 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.101 -2.746 14.762 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.838 -1.113 15.420 1.00 0.00 H new ATOM 788 N SER A 54 -9.622 1.284 13.059 1.00 0.00 N ATOM 789 CA SER A 54 -10.200 2.624 13.060 1.00 0.00 C ATOM 790 C SER A 54 -11.429 2.662 12.178 1.00 0.00 C ATOM 791 O SER A 54 -12.370 3.418 12.417 1.00 0.00 O ATOM 792 CB SER A 54 -9.180 3.606 12.508 1.00 0.00 C ATOM 793 OG SER A 54 -9.613 4.946 12.671 1.00 0.00 O ATOM 0 H SER A 54 -8.663 1.239 12.714 1.00 0.00 H new ATOM 0 HA SER A 54 -10.475 2.890 14.081 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.226 3.466 13.016 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.011 3.402 11.451 1.00 0.00 H new ATOM 0 HG SER A 54 -8.936 5.555 12.308 1.00 0.00 H new ATOM 799 N SER A 55 -11.403 1.830 11.159 1.00 0.00 N ATOM 800 CA SER A 55 -12.501 1.734 10.217 1.00 0.00 C ATOM 801 C SER A 55 -12.827 0.279 9.909 1.00 0.00 C ATOM 802 O SER A 55 -11.945 -0.497 9.540 1.00 0.00 O ATOM 803 CB SER A 55 -12.133 2.460 8.933 1.00 0.00 C ATOM 804 OG SER A 55 -13.025 2.135 7.883 1.00 0.00 O ATOM 0 H SER A 55 -10.624 1.203 10.959 1.00 0.00 H new ATOM 0 HA SER A 55 -13.382 2.196 10.663 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.147 3.536 9.105 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.116 2.197 8.643 1.00 0.00 H new ATOM 0 HG SER A 55 -12.669 2.473 7.035 1.00 0.00 H new ATOM 810 N GLU A 56 -14.098 -0.086 10.045 1.00 0.00 N ATOM 811 CA GLU A 56 -14.527 -1.450 9.758 1.00 0.00 C ATOM 812 C GLU A 56 -14.084 -1.858 8.356 1.00 0.00 C ATOM 813 O GLU A 56 -13.941 -3.043 8.054 1.00 0.00 O ATOM 814 CB GLU A 56 -16.047 -1.571 9.885 1.00 0.00 C ATOM 815 CG GLU A 56 -16.586 -1.086 11.221 1.00 0.00 C ATOM 816 CD GLU A 56 -18.073 -1.339 11.377 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.868 -0.596 10.765 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.441 -2.280 12.110 1.00 0.00 O ATOM 0 H GLU A 56 -14.844 0.539 10.350 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.063 -2.118 10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.517 -1.000 9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.333 -2.613 9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.050 -1.586 12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.390 -0.018 11.321 1.00 0.00 H new ATOM 825 N LYS A 57 -13.863 -0.858 7.509 1.00 0.00 N ATOM 826 CA LYS A 57 -13.429 -1.084 6.140 1.00 0.00 C ATOM 827 C LYS A 57 -12.042 -1.719 6.109 1.00 0.00 C ATOM 828 O LYS A 57 -11.158 -1.343 6.879 1.00 0.00 O ATOM 829 CB LYS A 57 -13.425 0.240 5.372 1.00 0.00 C ATOM 830 CG LYS A 57 -14.821 0.739 5.030 1.00 0.00 C ATOM 831 CD LYS A 57 -15.293 1.805 6.006 1.00 0.00 C ATOM 832 CE LYS A 57 -14.717 3.169 5.665 1.00 0.00 C ATOM 833 NZ LYS A 57 -14.617 4.045 6.865 1.00 0.00 N ATOM 0 H LYS A 57 -13.980 0.126 7.753 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.127 -1.772 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.912 0.996 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.855 0.117 4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.824 1.145 4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.519 -0.098 5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.382 1.855 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.999 1.528 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.729 3.045 5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.344 3.651 4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.157 4.941 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.570 4.239 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.054 3.568 7.597 1.00 0.00 H new ATOM 847 N MET A 58 -11.863 -2.689 5.219 1.00 0.00 N ATOM 848 CA MET A 58 -10.587 -3.387 5.089 1.00 0.00 C ATOM 849 C MET A 58 -9.938 -3.095 3.742 1.00 0.00 C ATOM 850 O MET A 58 -10.535 -3.332 2.692 1.00 0.00 O ATOM 851 CB MET A 58 -10.789 -4.892 5.245 1.00 0.00 C ATOM 852 CG MET A 58 -12.103 -5.392 4.673 1.00 0.00 C ATOM 853 SD MET A 58 -13.433 -5.391 5.886 1.00 0.00 S ATOM 854 CE MET A 58 -14.835 -5.706 4.823 1.00 0.00 C ATOM 0 H MET A 58 -12.586 -3.011 4.576 1.00 0.00 H new ATOM 0 HA MET A 58 -9.927 -3.027 5.878 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.967 -5.413 4.754 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.742 -5.149 6.303 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.388 -4.767 3.827 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.967 -6.403 4.290 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.724 -5.236 5.244 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.641 -5.294 3.833 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.997 -6.781 4.743 1.00 0.00 H new ATOM 864 N MET A 59 -8.717 -2.576 3.777 1.00 0.00 N ATOM 865 CA MET A 59 -8.002 -2.251 2.551 1.00 0.00 C ATOM 866 C MET A 59 -6.522 -1.976 2.815 1.00 0.00 C ATOM 867 O MET A 59 -6.162 -1.356 3.815 1.00 0.00 O ATOM 868 CB MET A 59 -8.644 -1.030 1.896 1.00 0.00 C ATOM 869 CG MET A 59 -8.559 0.217 2.756 1.00 0.00 C ATOM 870 SD MET A 59 -10.164 0.769 3.364 1.00 0.00 S ATOM 871 CE MET A 59 -9.910 2.542 3.458 1.00 0.00 C ATOM 0 H MET A 59 -8.205 -2.372 4.635 1.00 0.00 H new ATOM 0 HA MET A 59 -8.067 -3.111 1.885 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.157 -0.839 0.940 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.691 -1.247 1.683 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.904 0.022 3.605 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.101 1.019 2.178 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.857 2.847 4.503 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.978 2.803 2.956 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.740 3.055 2.972 1.00 0.00 H new ATOM 881 N LEU A 60 -5.671 -2.416 1.892 1.00 0.00 N ATOM 882 CA LEU A 60 -4.233 -2.193 2.001 1.00 0.00 C ATOM 883 C LEU A 60 -3.775 -1.264 0.877 1.00 0.00 C ATOM 884 O LEU A 60 -4.058 -1.512 -0.294 1.00 0.00 O ATOM 885 CB LEU A 60 -3.462 -3.521 1.943 1.00 0.00 C ATOM 886 CG LEU A 60 -3.746 -4.513 3.082 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.789 -5.699 3.013 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.637 -3.835 4.439 1.00 0.00 C ATOM 0 H LEU A 60 -5.954 -2.931 1.058 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.024 -1.728 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.690 -4.010 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.395 -3.299 1.938 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.767 -4.875 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.006 -6.390 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.914 -6.212 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.762 -5.344 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.843 -4.561 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.630 -3.437 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.359 -3.021 4.498 1.00 0.00 H new ATOM 900 N ARG A 61 -3.079 -0.188 1.238 1.00 0.00 N ATOM 901 CA ARG A 61 -2.603 0.779 0.251 1.00 0.00 C ATOM 902 C ARG A 61 -1.078 0.857 0.250 1.00 0.00 C ATOM 903 O ARG A 61 -0.450 0.931 1.304 1.00 0.00 O ATOM 904 CB ARG A 61 -3.182 2.166 0.539 1.00 0.00 C ATOM 905 CG ARG A 61 -2.759 3.217 -0.477 1.00 0.00 C ATOM 906 CD ARG A 61 -2.699 4.607 0.136 1.00 0.00 C ATOM 907 NE ARG A 61 -3.680 5.511 -0.460 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.715 6.822 -0.231 1.00 0.00 C ATOM 909 NH1 ARG A 61 -2.828 7.386 0.580 1.00 0.00 N ATOM 910 NH2 ARG A 61 -4.641 7.572 -0.814 1.00 0.00 N ATOM 0 H ARG A 61 -2.833 0.036 2.202 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.938 0.443 -0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.270 2.102 0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.868 2.484 1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.781 2.957 -0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.460 3.218 -1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.875 4.538 1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.699 5.019 0.003 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.379 5.114 -1.088 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.114 6.814 1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.860 8.391 0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.326 7.144 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.668 8.576 -0.639 1.00 0.00 H new ATOM 924 N LEU A 62 -0.491 0.843 -0.943 1.00 0.00 N ATOM 925 CA LEU A 62 0.960 0.916 -1.087 1.00 0.00 C ATOM 926 C LEU A 62 1.345 1.956 -2.135 1.00 0.00 C ATOM 927 O LEU A 62 0.760 2.005 -3.217 1.00 0.00 O ATOM 928 CB LEU A 62 1.536 -0.454 -1.469 1.00 0.00 C ATOM 929 CG LEU A 62 0.507 -1.497 -1.910 1.00 0.00 C ATOM 930 CD1 LEU A 62 1.166 -2.572 -2.761 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.175 -2.115 -0.698 1.00 0.00 C ATOM 0 H LEU A 62 -0.999 0.782 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 62 1.380 1.216 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.256 -0.315 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.086 -0.849 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.251 -1.000 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.418 -3.305 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.607 -2.115 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.945 -3.068 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.904 -2.855 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.571 -2.598 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.682 -1.336 -0.129 1.00 0.00 H new ATOM 943 N ILE A 63 2.331 2.785 -1.809 1.00 0.00 N ATOM 944 CA ILE A 63 2.788 3.822 -2.728 1.00 0.00 C ATOM 945 C ILE A 63 4.195 3.539 -3.227 1.00 0.00 C ATOM 946 O ILE A 63 5.032 2.997 -2.504 1.00 0.00 O ATOM 947 CB ILE A 63 2.762 5.222 -2.089 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.496 5.413 -1.257 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.859 6.294 -3.164 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.226 4.976 -1.957 1.00 0.00 C ATOM 0 H ILE A 63 2.828 2.760 -0.919 1.00 0.00 H new ATOM 0 HA ILE A 63 2.091 3.807 -3.566 1.00 0.00 H new ATOM 0 HB ILE A 63 3.622 5.314 -1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.597 4.853 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.406 6.465 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.839 7.279 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.791 6.172 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.016 6.200 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.628 5.144 -1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.098 5.553 -2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.292 3.916 -2.202 1.00 0.00 H new ATOM 962 N GLY A 64 4.442 3.913 -4.472 1.00 0.00 N ATOM 963 CA GLY A 64 5.747 3.700 -5.071 1.00 0.00 C ATOM 964 C GLY A 64 6.800 4.643 -4.523 1.00 0.00 C ATOM 965 O GLY A 64 6.498 5.514 -3.707 1.00 0.00 O ATOM 0 H GLY A 64 3.760 4.363 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.060 2.671 -4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.673 3.831 -6.151 1.00 0.00 H new ATOM 1311 N ARG A 86 -0.083 5.547 -6.694 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.540 4.906 -5.467 1.00 0.00 C ATOM 1313 C ARG A 86 -1.444 3.716 -5.771 1.00 0.00 C ATOM 1314 O ARG A 86 -2.292 3.778 -6.661 1.00 0.00 O ATOM 1315 CB ARG A 86 -1.284 5.914 -4.589 1.00 0.00 C ATOM 1316 CG ARG A 86 -0.481 7.169 -4.288 1.00 0.00 C ATOM 1317 CD ARG A 86 -1.387 8.348 -3.973 1.00 0.00 C ATOM 1318 NE ARG A 86 -1.584 9.214 -5.133 1.00 0.00 N ATOM 1319 CZ ARG A 86 -2.342 10.308 -5.122 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -2.977 10.672 -4.015 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -2.466 11.039 -6.221 1.00 0.00 N ATOM 0 HA ARG A 86 0.337 4.541 -4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.213 6.197 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.556 5.433 -3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.183 6.983 -3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.150 7.412 -5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.353 7.980 -3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.956 8.928 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.113 8.966 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.885 10.112 -3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.557 11.511 -4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.981 10.763 -7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.047 11.877 -6.213 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.260 2.634 -5.020 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.060 1.430 -5.203 1.00 0.00 C ATOM 1337 C HIS A 87 -2.945 1.182 -3.986 1.00 0.00 C ATOM 1338 O HIS A 87 -2.451 0.908 -2.892 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.155 0.221 -5.445 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.103 0.460 -6.482 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.363 0.446 -7.837 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.221 0.722 -6.359 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.753 0.687 -8.501 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.728 0.859 -7.627 1.00 0.00 N ATOM 0 H HIS A 87 -0.563 2.568 -4.278 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.698 1.574 -6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.673 -0.055 -4.507 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.769 -0.627 -5.750 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.774 0.807 -5.435 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.851 0.735 -9.575 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.701 1.061 -7.857 1.00 0.00 H new ATOM 1353 N MET A 88 -4.256 1.282 -4.182 1.00 0.00 N ATOM 1354 CA MET A 88 -5.208 1.070 -3.098 1.00 0.00 C ATOM 1355 C MET A 88 -5.901 -0.279 -3.237 1.00 0.00 C ATOM 1356 O MET A 88 -6.744 -0.467 -4.114 1.00 0.00 O ATOM 1357 CB MET A 88 -6.253 2.185 -3.082 1.00 0.00 C ATOM 1358 CG MET A 88 -6.619 2.650 -1.685 1.00 0.00 C ATOM 1359 SD MET A 88 -7.757 1.531 -0.841 1.00 0.00 S ATOM 1360 CE MET A 88 -8.260 2.534 0.561 1.00 0.00 C ATOM 0 H MET A 88 -4.683 1.508 -5.080 1.00 0.00 H new ATOM 0 HA MET A 88 -4.654 1.082 -2.159 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.876 3.034 -3.652 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.153 1.836 -3.588 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.710 2.749 -1.092 1.00 0.00 H new ATOM 0 HG3 MET A 88 -7.070 3.640 -1.745 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.114 2.069 1.053 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.433 2.613 1.267 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.538 3.529 0.215 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.547 -1.212 -2.365 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.142 -2.540 -2.388 1.00 0.00 C ATOM 1372 C PHE A 89 -7.269 -2.635 -1.369 1.00 0.00 C ATOM 1373 O PHE A 89 -7.105 -2.238 -0.218 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.078 -3.601 -2.110 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.909 -4.565 -3.243 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.015 -5.146 -3.838 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.649 -4.881 -3.722 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.870 -6.025 -4.890 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.496 -5.762 -4.773 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.610 -6.333 -5.358 1.00 0.00 C ATOM 0 H PHE A 89 -4.851 -1.074 -1.633 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.559 -2.718 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.125 -3.110 -1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.347 -4.151 -1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.004 -4.908 -3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.777 -4.433 -3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.741 -6.471 -5.347 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.509 -6.004 -5.137 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.494 -7.021 -6.182 1.00 0.00 H new ATOM 1390 N SER A 90 -8.418 -3.149 -1.798 1.00 0.00 N ATOM 1391 CA SER A 90 -9.566 -3.268 -0.910 1.00 0.00 C ATOM 1392 C SER A 90 -10.247 -4.623 -1.042 1.00 0.00 C ATOM 1393 O SER A 90 -10.651 -5.025 -2.133 1.00 0.00 O ATOM 1394 CB SER A 90 -10.575 -2.161 -1.213 1.00 0.00 C ATOM 1395 OG SER A 90 -11.368 -1.866 -0.076 1.00 0.00 O ATOM 0 H SER A 90 -8.577 -3.487 -2.747 1.00 0.00 H new ATOM 0 HA SER A 90 -9.201 -3.172 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.048 -1.263 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.218 -2.467 -2.039 1.00 0.00 H new ATOM 0 HG SER A 90 -12.004 -1.154 -0.297 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.390 -5.314 0.084 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.047 -6.614 0.105 1.00 0.00 C ATOM 1403 C PHE A 91 -12.181 -6.604 1.121 1.00 0.00 C ATOM 1404 O PHE A 91 -12.321 -5.658 1.894 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.069 -7.763 0.414 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.689 -7.352 0.853 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.931 -6.453 0.116 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.140 -7.896 2.001 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.658 -6.104 0.523 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.868 -7.554 2.407 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.127 -6.656 1.669 1.00 0.00 C ATOM 0 H PHE A 91 -10.059 -4.994 0.994 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.446 -6.793 -0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.506 -8.387 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.976 -8.384 -0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.341 -6.022 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.716 -8.598 2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.079 -5.399 -0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.452 -7.990 3.303 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.131 -6.385 1.988 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.994 -7.652 1.112 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.119 -7.746 2.034 1.00 0.00 C ATOM 1423 C ASN A 92 -13.753 -8.572 3.261 1.00 0.00 C ATOM 1424 O ASN A 92 -14.612 -9.212 3.867 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.331 -8.360 1.333 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.060 -9.766 0.833 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.122 -10.730 1.596 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.757 -9.888 -0.454 1.00 0.00 N ATOM 0 H ASN A 92 -12.897 -8.446 0.479 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.371 -6.737 2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.175 -8.379 2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.620 -7.728 0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.564 -10.809 -0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.717 -9.061 -1.049 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.475 -8.554 3.624 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.008 -9.304 4.782 1.00 0.00 C ATOM 1437 C ASN A 93 -11.172 -8.433 5.712 1.00 0.00 C ATOM 1438 O ASN A 93 -10.096 -7.966 5.343 1.00 0.00 O ATOM 1439 CB ASN A 93 -11.197 -10.522 4.337 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.960 -11.400 3.365 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.382 -10.947 2.301 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -12.142 -12.665 3.727 1.00 0.00 N ATOM 0 H ASN A 93 -11.748 -8.031 3.135 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.886 -9.640 5.333 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.271 -10.188 3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.919 -11.110 5.212 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.649 -13.303 3.114 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -11.775 -12.998 4.618 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.678 -8.228 6.926 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.984 -7.422 7.924 1.00 0.00 C ATOM 1451 C ARG A 94 -9.976 -8.268 8.694 1.00 0.00 C ATOM 1452 O ARG A 94 -8.951 -7.765 9.155 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.988 -6.794 8.893 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.432 -5.604 9.658 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.154 -5.406 10.980 1.00 0.00 C ATOM 1456 NE ARG A 94 -11.250 -4.957 12.036 1.00 0.00 N ATOM 1457 CZ ARG A 94 -10.422 -5.763 12.696 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -10.380 -7.059 12.412 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -9.633 -5.273 13.643 1.00 0.00 N ATOM 0 H ARG A 94 -12.569 -8.611 7.242 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.447 -6.627 7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.869 -6.477 8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.316 -7.552 9.605 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.368 -5.753 9.842 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.527 -4.703 9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.952 -4.675 10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.625 -6.342 11.280 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.254 -3.967 12.282 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.984 -7.442 11.685 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.743 -7.672 12.921 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.661 -4.278 13.866 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.999 -5.891 14.149 1.00 0.00 H new ATOM 1473 N THR A 95 -10.272 -9.556 8.825 1.00 0.00 N ATOM 1474 CA THR A 95 -9.388 -10.473 9.532 1.00 0.00 C ATOM 1475 C THR A 95 -8.152 -10.770 8.689 1.00 0.00 C ATOM 1476 O THR A 95 -7.025 -10.745 9.184 1.00 0.00 O ATOM 1477 CB THR A 95 -10.138 -11.768 9.877 1.00 0.00 C ATOM 1478 OG1 THR A 95 -9.741 -12.252 11.148 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.937 -12.891 8.878 1.00 0.00 C ATOM 0 H THR A 95 -11.117 -9.988 8.451 1.00 0.00 H new ATOM 0 HA THR A 95 -9.062 -10.006 10.462 1.00 0.00 H new ATOM 0 HB THR A 95 -11.191 -11.489 9.861 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.230 -13.076 11.352 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.501 -13.767 9.197 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.288 -12.572 7.896 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.878 -13.142 8.821 1.00 0.00 H new ATOM 1487 N VAL A 96 -8.380 -11.047 7.411 1.00 0.00 N ATOM 1488 CA VAL A 96 -7.295 -11.345 6.486 1.00 0.00 C ATOM 1489 C VAL A 96 -6.349 -10.158 6.353 1.00 0.00 C ATOM 1490 O VAL A 96 -5.155 -10.270 6.634 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.830 -11.717 5.089 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.695 -12.179 4.187 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.906 -12.788 5.194 1.00 0.00 C ATOM 0 H VAL A 96 -9.309 -11.071 6.991 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.754 -12.197 6.898 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.278 -10.828 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.092 -12.437 3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.964 -11.378 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.215 -13.054 4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.271 -13.036 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.487 -13.680 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.732 -12.416 5.800 1.00 0.00 H new ATOM 1503 N MET A 97 -6.887 -9.021 5.916 1.00 0.00 N ATOM 1504 CA MET A 97 -6.086 -7.808 5.736 1.00 0.00 C ATOM 1505 C MET A 97 -5.138 -7.558 6.910 1.00 0.00 C ATOM 1506 O MET A 97 -3.931 -7.402 6.722 1.00 0.00 O ATOM 1507 CB MET A 97 -6.998 -6.595 5.558 1.00 0.00 C ATOM 1508 CG MET A 97 -8.097 -6.499 6.602 1.00 0.00 C ATOM 1509 SD MET A 97 -7.774 -5.227 7.838 1.00 0.00 S ATOM 1510 CE MET A 97 -7.521 -3.800 6.786 1.00 0.00 C ATOM 0 H MET A 97 -7.873 -8.913 5.680 1.00 0.00 H new ATOM 0 HA MET A 97 -5.481 -7.957 4.842 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.394 -5.689 5.595 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.452 -6.635 4.568 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.045 -6.287 6.107 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.206 -7.463 7.099 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.492 -3.455 6.882 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.717 -4.073 5.749 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.201 -3.002 7.085 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.695 -7.501 8.113 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.909 -7.245 9.317 1.00 0.00 C ATOM 1522 C ASP A 98 -3.703 -8.178 9.428 1.00 0.00 C ATOM 1523 O ASP A 98 -2.724 -7.856 10.101 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.790 -7.390 10.560 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.189 -6.712 11.776 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.123 -7.166 12.243 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.785 -5.727 12.261 1.00 0.00 O ATOM 0 H ASP A 98 -6.693 -7.629 8.283 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.532 -6.225 9.247 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.772 -6.963 10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.940 -8.448 10.774 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.779 -9.335 8.779 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.689 -10.305 8.829 1.00 0.00 C ATOM 1534 C ASN A 99 -1.625 -10.014 7.775 1.00 0.00 C ATOM 1535 O ASN A 99 -0.455 -9.814 8.103 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.234 -11.722 8.638 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.968 -12.229 9.864 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.587 -11.932 10.997 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -5.027 -12.999 9.643 1.00 0.00 N ATOM 0 H ASN A 99 -4.578 -9.624 8.215 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.221 -10.223 9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.909 -11.737 7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.410 -12.397 8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.561 -13.370 10.429 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.307 -13.219 8.687 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.029 -10.008 6.510 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.098 -9.760 5.415 1.00 0.00 C ATOM 1548 C ILE A 100 -0.537 -8.338 5.454 1.00 0.00 C ATOM 1549 O ILE A 100 0.579 -8.095 4.999 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.759 -10.017 4.044 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.696 -10.083 2.943 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.792 -8.943 3.732 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.263 -10.003 1.540 1.00 0.00 C ATOM 0 H ILE A 100 -2.992 -10.172 6.217 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.273 -10.460 5.547 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.273 -10.977 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.013 -9.267 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.137 -11.013 3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.245 -9.145 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.565 -8.947 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.307 -7.967 3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.450 -10.056 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.949 -10.834 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.798 -9.061 1.417 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.310 -7.399 5.995 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.869 -6.012 6.077 1.00 0.00 C ATOM 1567 C LYS A 101 0.418 -5.889 6.882 1.00 0.00 C ATOM 1568 O LYS A 101 1.268 -5.045 6.598 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.962 -5.152 6.708 1.00 0.00 C ATOM 1570 CG LYS A 101 -2.167 -5.383 8.196 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.128 -4.079 8.978 1.00 0.00 C ATOM 1572 CE LYS A 101 -3.502 -3.434 9.039 1.00 0.00 C ATOM 1573 NZ LYS A 101 -4.226 -3.786 10.291 1.00 0.00 N ATOM 0 H LYS A 101 -2.238 -7.573 6.380 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.671 -5.660 5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.719 -4.102 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.902 -5.345 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.125 -5.877 8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.394 -6.055 8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.767 -4.269 9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.422 -3.393 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.398 -2.351 8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.090 -3.751 8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.232 -3.940 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.820 -4.655 10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.132 -3.010 10.976 1.00 0.00 H new ATOM 1587 N MET A 102 0.540 -6.732 7.892 1.00 0.00 N ATOM 1588 CA MET A 102 1.711 -6.728 8.763 1.00 0.00 C ATOM 1589 C MET A 102 2.948 -7.225 8.026 1.00 0.00 C ATOM 1590 O MET A 102 3.994 -6.576 8.040 1.00 0.00 O ATOM 1591 CB MET A 102 1.456 -7.596 9.996 1.00 0.00 C ATOM 1592 CG MET A 102 0.814 -6.842 11.150 1.00 0.00 C ATOM 1593 SD MET A 102 1.247 -7.533 12.758 1.00 0.00 S ATOM 1594 CE MET A 102 -0.240 -7.177 13.691 1.00 0.00 C ATOM 0 H MET A 102 -0.160 -7.434 8.133 1.00 0.00 H new ATOM 0 HA MET A 102 1.891 -5.700 9.078 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.813 -8.430 9.716 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.402 -8.021 10.332 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.123 -5.797 11.113 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.269 -6.859 11.032 1.00 0.00 H new ATOM 0 HE1 MET A 102 -0.127 -7.545 14.711 1.00 0.00 H new ATOM 0 HE2 MET A 102 -0.408 -6.100 13.710 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.091 -7.669 13.220 1.00 0.00 H new ATOM 1604 N THR A 103 2.824 -8.384 7.388 1.00 0.00 N ATOM 1605 CA THR A 103 3.935 -8.978 6.648 1.00 0.00 C ATOM 1606 C THR A 103 4.593 -7.964 5.713 1.00 0.00 C ATOM 1607 O THR A 103 5.816 -7.928 5.585 1.00 0.00 O ATOM 1608 CB THR A 103 3.449 -10.185 5.847 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.832 -11.135 6.698 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.557 -10.890 5.097 1.00 0.00 C ATOM 0 H THR A 103 1.964 -8.933 7.368 1.00 0.00 H new ATOM 0 HA THR A 103 4.682 -9.301 7.374 1.00 0.00 H new ATOM 0 HB THR A 103 2.740 -9.785 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.526 -11.900 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.144 -11.737 4.549 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.021 -10.196 4.396 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.306 -11.246 5.804 1.00 0.00 H new ATOM 1618 N LEU A 104 3.776 -7.145 5.058 1.00 0.00 N ATOM 1619 CA LEU A 104 4.287 -6.138 4.135 1.00 0.00 C ATOM 1620 C LEU A 104 4.801 -4.913 4.886 1.00 0.00 C ATOM 1621 O LEU A 104 5.878 -4.397 4.587 1.00 0.00 O ATOM 1622 CB LEU A 104 3.196 -5.720 3.146 1.00 0.00 C ATOM 1623 CG LEU A 104 2.900 -6.736 2.041 1.00 0.00 C ATOM 1624 CD1 LEU A 104 1.703 -7.595 2.414 1.00 0.00 C ATOM 1625 CD2 LEU A 104 2.658 -6.031 0.715 1.00 0.00 C ATOM 0 H LEU A 104 2.760 -7.159 5.149 1.00 0.00 H new ATOM 0 HA LEU A 104 5.119 -6.579 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.277 -5.531 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.488 -4.777 2.683 1.00 0.00 H new ATOM 0 HG LEU A 104 3.769 -7.385 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.507 -8.312 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.914 -8.131 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.828 -6.960 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.449 -6.771 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.807 -5.357 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.544 -5.459 0.440 1.00 0.00 H new ATOM 1637 N GLN A 105 4.023 -4.449 5.859 1.00 0.00 N ATOM 1638 CA GLN A 105 4.399 -3.281 6.649 1.00 0.00 C ATOM 1639 C GLN A 105 5.737 -3.498 7.351 1.00 0.00 C ATOM 1640 O GLN A 105 6.607 -2.628 7.328 1.00 0.00 O ATOM 1641 CB GLN A 105 3.315 -2.967 7.681 1.00 0.00 C ATOM 1642 CG GLN A 105 3.415 -1.566 8.261 1.00 0.00 C ATOM 1643 CD GLN A 105 2.066 -1.004 8.663 1.00 0.00 C ATOM 1644 OE1 GLN A 105 1.791 -0.802 9.846 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.214 -0.748 7.677 1.00 0.00 N ATOM 0 H GLN A 105 3.128 -4.864 6.120 1.00 0.00 H new ATOM 0 HA GLN A 105 4.502 -2.436 5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.337 -3.090 7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.376 -3.692 8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.071 -1.583 9.131 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.876 -0.905 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.483 -0.930 6.710 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.291 -0.369 7.886 1.00 0.00 H new ATOM 1654 N GLN A 106 5.893 -4.660 7.976 1.00 0.00 N ATOM 1655 CA GLN A 106 7.124 -4.986 8.686 1.00 0.00 C ATOM 1656 C GLN A 106 8.332 -4.908 7.756 1.00 0.00 C ATOM 1657 O GLN A 106 9.410 -4.472 8.159 1.00 0.00 O ATOM 1658 CB GLN A 106 7.029 -6.384 9.304 1.00 0.00 C ATOM 1659 CG GLN A 106 6.961 -7.502 8.277 1.00 0.00 C ATOM 1660 CD GLN A 106 7.047 -8.878 8.907 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.899 -9.689 8.544 1.00 0.00 O ATOM 1662 NE2 GLN A 106 6.160 -9.150 9.858 1.00 0.00 N ATOM 0 H GLN A 106 5.183 -5.391 8.005 1.00 0.00 H new ATOM 0 HA GLN A 106 7.256 -4.253 9.482 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.893 -6.546 9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.144 -6.432 9.939 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.029 -7.420 7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.774 -7.383 7.561 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.471 -8.448 10.128 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.168 -10.060 10.318 1.00 0.00 H new ATOM 1671 N ILE A 107 8.144 -5.335 6.511 1.00 0.00 N ATOM 1672 CA ILE A 107 9.212 -5.318 5.528 1.00 0.00 C ATOM 1673 C ILE A 107 9.778 -3.912 5.346 1.00 0.00 C ATOM 1674 O ILE A 107 10.986 -3.706 5.441 1.00 0.00 O ATOM 1675 CB ILE A 107 8.714 -5.881 4.176 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.265 -7.287 3.972 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.098 -4.981 3.010 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.645 -8.019 2.800 1.00 0.00 C ATOM 0 H ILE A 107 7.257 -5.698 6.162 1.00 0.00 H new ATOM 0 HA ILE A 107 10.015 -5.956 5.898 1.00 0.00 H new ATOM 0 HB ILE A 107 7.625 -5.919 4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.343 -7.227 3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.101 -7.867 4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.729 -5.413 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.657 -3.994 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.183 -4.890 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.086 -9.012 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.570 -8.111 2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.832 -7.461 1.882 1.00 0.00 H new ATOM 1690 N ILE A 108 8.904 -2.946 5.083 1.00 0.00 N ATOM 1691 CA ILE A 108 9.337 -1.566 4.888 1.00 0.00 C ATOM 1692 C ILE A 108 10.248 -1.115 6.012 1.00 0.00 C ATOM 1693 O ILE A 108 11.189 -0.354 5.800 1.00 0.00 O ATOM 1694 CB ILE A 108 8.151 -0.589 4.822 1.00 0.00 C ATOM 1695 CG1 ILE A 108 7.048 -1.128 3.914 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.631 0.773 4.348 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.535 -1.555 2.545 1.00 0.00 C ATOM 0 H ILE A 108 7.898 -3.091 5.000 1.00 0.00 H new ATOM 0 HA ILE A 108 9.870 -1.551 3.937 1.00 0.00 H new ATOM 0 HB ILE A 108 7.729 -0.482 5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.573 -1.979 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.283 -0.361 3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.787 1.461 4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.377 1.158 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.074 0.678 3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.694 -1.926 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.984 -0.702 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.278 -2.345 2.653 1.00 0.00 H new ATOM 1709 N SER A 109 9.948 -1.593 7.205 1.00 0.00 N ATOM 1710 CA SER A 109 10.719 -1.251 8.388 1.00 0.00 C ATOM 1711 C SER A 109 12.135 -1.809 8.292 1.00 0.00 C ATOM 1712 O SER A 109 13.060 -1.295 8.921 1.00 0.00 O ATOM 1713 CB SER A 109 10.015 -1.783 9.633 1.00 0.00 C ATOM 1714 OG SER A 109 10.238 -0.939 10.749 1.00 0.00 O ATOM 0 H SER A 109 9.168 -2.226 7.382 1.00 0.00 H new ATOM 0 HA SER A 109 10.792 -0.166 8.458 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.945 -1.863 9.442 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.375 -2.787 9.856 1.00 0.00 H new ATOM 0 HG SER A 109 9.774 -1.303 11.532 1.00 0.00 H new ATOM 1720 N ARG A 110 12.299 -2.855 7.491 1.00 0.00 N ATOM 1721 CA ARG A 110 13.602 -3.471 7.297 1.00 0.00 C ATOM 1722 C ARG A 110 14.212 -2.979 5.989 1.00 0.00 C ATOM 1723 O ARG A 110 15.390 -2.626 5.933 1.00 0.00 O ATOM 1724 CB ARG A 110 13.475 -5.002 7.311 1.00 0.00 C ATOM 1725 CG ARG A 110 13.418 -5.645 5.932 1.00 0.00 C ATOM 1726 CD ARG A 110 13.296 -7.157 6.027 1.00 0.00 C ATOM 1727 NE ARG A 110 14.053 -7.834 4.977 1.00 0.00 N ATOM 1728 CZ ARG A 110 15.377 -7.974 4.990 1.00 0.00 C ATOM 1729 NH1 ARG A 110 16.093 -7.486 5.996 1.00 0.00 N ATOM 1730 NH2 ARG A 110 15.987 -8.603 3.995 1.00 0.00 N ATOM 0 H ARG A 110 11.543 -3.294 6.965 1.00 0.00 H new ATOM 0 HA ARG A 110 14.263 -3.185 8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 110 14.321 -5.419 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.575 -5.274 7.862 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.569 -5.245 5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 110 14.316 -5.386 5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.652 -7.489 7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.246 -7.441 5.958 1.00 0.00 H new ATOM 0 HE ARG A 110 13.537 -8.222 4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 110 15.629 -7.001 6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 110 17.107 -7.596 6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 110 15.442 -8.980 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 110 17.001 -8.710 4.005 1.00 0.00 H new ATOM 1744 N TYR A 111 13.393 -2.943 4.941 1.00 0.00 N ATOM 1745 CA TYR A 111 13.844 -2.475 3.639 1.00 0.00 C ATOM 1746 C TYR A 111 14.237 -1.003 3.712 1.00 0.00 C ATOM 1747 O TYR A 111 15.078 -0.536 2.945 1.00 0.00 O ATOM 1748 CB TYR A 111 12.749 -2.682 2.589 1.00 0.00 C ATOM 1749 CG TYR A 111 12.891 -3.974 1.811 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.428 -5.110 2.404 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.490 -4.055 0.483 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.561 -6.290 1.696 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.620 -5.231 -0.231 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.156 -6.345 0.380 1.00 0.00 C ATOM 1755 OH TYR A 111 13.289 -7.517 -0.327 1.00 0.00 O ATOM 0 H TYR A 111 12.415 -3.232 4.971 1.00 0.00 H new ATOM 0 HA TYR A 111 14.719 -3.055 3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.777 -2.670 3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.763 -1.844 1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 111 13.747 -5.071 3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.070 -3.185 0.001 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.980 -7.164 2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.303 -5.277 -1.262 1.00 0.00 H new ATOM 0 HH TYR A 111 14.041 -7.439 -0.951 1.00 0.00 H new ATOM 1765 N LYS A 112 13.628 -0.278 4.648 1.00 0.00 N ATOM 1766 CA LYS A 112 13.914 1.133 4.836 1.00 0.00 C ATOM 1767 C LYS A 112 15.391 1.352 5.131 1.00 0.00 C ATOM 1768 O LYS A 112 16.085 2.082 4.422 1.00 0.00 O ATOM 1769 CB LYS A 112 13.073 1.672 5.991 1.00 0.00 C ATOM 1770 CG LYS A 112 13.077 0.806 7.237 1.00 0.00 C ATOM 1771 CD LYS A 112 13.890 1.436 8.358 1.00 0.00 C ATOM 1772 CE LYS A 112 13.154 2.608 8.986 1.00 0.00 C ATOM 1773 NZ LYS A 112 12.239 2.170 10.077 1.00 0.00 N ATOM 0 H LYS A 112 12.929 -0.653 5.290 1.00 0.00 H new ATOM 0 HA LYS A 112 13.665 1.665 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 112 13.436 2.665 6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.044 1.789 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.052 0.649 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.487 -0.175 6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.102 0.687 9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.850 1.774 7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.877 3.320 9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.581 3.130 8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.756 2.999 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.533 1.510 9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.789 1.695 10.821 1.00 0.00 H new ATOM 1969 N ASP B 70 -10.713 5.698 2.913 1.00 0.00 N ATOM 1970 CA ASP B 70 -10.574 6.942 3.658 1.00 0.00 C ATOM 1971 C ASP B 70 -9.862 6.749 4.996 1.00 0.00 C ATOM 1972 O ASP B 70 -9.072 7.594 5.416 1.00 0.00 O ATOM 1973 CB ASP B 70 -11.955 7.548 3.885 1.00 0.00 C ATOM 1974 CG ASP B 70 -11.894 9.018 4.247 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -11.372 9.340 5.336 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -12.367 9.848 3.443 1.00 0.00 O ATOM 0 HA ASP B 70 -9.956 7.616 3.065 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -12.555 7.424 2.983 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -12.461 7.002 4.681 1.00 0.00 H new ATOM 1981 N ALA B 71 -10.159 5.648 5.665 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.562 5.354 6.968 1.00 0.00 C ATOM 1983 C ALA B 71 -8.085 5.000 6.866 1.00 0.00 C ATOM 1984 O ALA B 71 -7.377 4.995 7.873 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.314 4.225 7.651 1.00 0.00 C ATOM 0 H ALA B 71 -10.811 4.938 5.331 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.641 6.263 7.564 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -9.858 4.018 8.619 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.355 4.516 7.795 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -10.270 3.330 7.030 1.00 0.00 H new ATOM 1991 N THR B 72 -7.616 4.695 5.663 1.00 0.00 N ATOM 1992 CA THR B 72 -6.217 4.334 5.488 1.00 0.00 C ATOM 1993 C THR B 72 -5.334 5.565 5.316 1.00 0.00 C ATOM 1994 O THR B 72 -4.109 5.470 5.392 1.00 0.00 O ATOM 1995 CB THR B 72 -6.033 3.389 4.300 1.00 0.00 C ATOM 1996 OG1 THR B 72 -7.266 3.150 3.653 1.00 0.00 O ATOM 1997 CG2 THR B 72 -5.441 2.048 4.688 1.00 0.00 C ATOM 0 H THR B 72 -8.173 4.690 4.808 1.00 0.00 H new ATOM 0 HA THR B 72 -5.908 3.817 6.397 1.00 0.00 H new ATOM 0 HB THR B 72 -5.334 3.894 3.633 1.00 0.00 H new ATOM 0 HG1 THR B 72 -7.411 3.831 2.964 1.00 0.00 H new ATOM 0 HG21 THR B 72 -5.337 1.425 3.799 1.00 0.00 H new ATOM 0 HG22 THR B 72 -4.462 2.200 5.141 1.00 0.00 H new ATOM 0 HG23 THR B 72 -6.099 1.553 5.403 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.948 6.721 5.079 1.00 0.00 N ATOM 2006 CA TRP B 73 -5.191 7.956 4.896 1.00 0.00 C ATOM 2007 C TRP B 73 -4.789 8.524 6.250 1.00 0.00 C ATOM 2008 O TRP B 73 -5.080 9.674 6.578 1.00 0.00 O ATOM 2009 CB TRP B 73 -6.009 8.971 4.091 1.00 0.00 C ATOM 2010 CG TRP B 73 -6.799 8.338 2.983 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -7.939 8.814 2.412 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -6.508 7.102 2.322 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -8.381 7.947 1.440 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -7.517 6.886 1.369 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -5.493 6.158 2.449 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -7.532 5.759 0.552 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -5.510 5.044 1.642 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -6.518 4.852 0.709 1.00 0.00 C ATOM 0 H TRP B 73 -6.960 6.829 5.010 1.00 0.00 H new ATOM 0 HA TRP B 73 -4.284 7.738 4.333 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -6.690 9.495 4.762 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -5.337 9.719 3.670 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -8.426 9.739 2.683 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -9.215 8.073 0.866 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -4.703 6.298 3.171 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -8.313 5.606 -0.178 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.726 4.307 1.737 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -6.503 3.966 0.092 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.119 7.682 7.030 1.00 0.00 N ATOM 2030 CA ASP B 74 -3.658 8.033 8.364 1.00 0.00 C ATOM 2031 C ASP B 74 -2.972 6.823 8.991 1.00 0.00 C ATOM 2032 O ASP B 74 -3.132 6.545 10.180 1.00 0.00 O ATOM 2033 CB ASP B 74 -4.840 8.476 9.233 1.00 0.00 C ATOM 2034 CG ASP B 74 -4.423 9.425 10.339 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -3.922 10.524 10.021 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -4.596 9.068 11.524 1.00 0.00 O ATOM 0 H ASP B 74 -3.880 6.731 6.750 1.00 0.00 H new ATOM 0 HA ASP B 74 -2.950 8.859 8.297 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -5.587 8.961 8.605 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -5.314 7.598 9.671 1.00 0.00 H new ATOM 2041 N LEU B 75 -2.229 6.092 8.163 1.00 0.00 N ATOM 2042 CA LEU B 75 -1.533 4.887 8.602 1.00 0.00 C ATOM 2043 C LEU B 75 -0.025 5.108 8.703 1.00 0.00 C ATOM 2044 O LEU B 75 0.492 5.478 9.757 1.00 0.00 O ATOM 2045 CB LEU B 75 -1.820 3.747 7.619 1.00 0.00 C ATOM 2046 CG LEU B 75 -2.895 2.741 8.023 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -2.807 2.376 9.498 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -4.282 3.258 7.669 1.00 0.00 C ATOM 0 H LEU B 75 -2.094 6.316 7.177 1.00 0.00 H new ATOM 0 HA LEU B 75 -1.899 4.630 9.596 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.109 4.187 6.664 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -0.891 3.202 7.451 1.00 0.00 H new ATOM 0 HG LEU B 75 -2.715 1.828 7.455 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -3.590 1.658 9.743 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -1.832 1.935 9.706 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -2.936 3.273 10.103 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -5.031 2.524 7.966 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -4.465 4.196 8.193 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -4.345 3.425 6.594 1.00 0.00 H new