USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1020 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 25 ASN :FLIP amide:sc=-0.00734 F(o=-1.9,f=0.028) USER MOD Set 1.2: A 38 CYS SG : rot 34:sc= 0.0354 USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 HIS : no HD1:sc= -6.76! C(o=-6.8!,f=-13!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -165:sc= -1.02 (180deg=-0.333) USER MOD Set 3.2: A 10 GLN :FLIP amide:sc= -1.12 F(o=-9.5!,f=-2.1) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.462 K(o=-0.46,f=-3.4!) USER MOD Single : A 15 GLN : amide:sc= -2.9! C(o=-2.9!,f=-3.4!) USER MOD Single : A 17 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.7!) USER MOD Single : A 23 TYR OH : rot 15:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 39 ASN : amide:sc= -4.46 K(o=-4.5,f=-6.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 91:sc= 1.3 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 46 THR OG1 : rot 41:sc= 1.12 USER MOD Single : A 48 GLN : amide:sc= -5.85! C(o=-5.9!,f=-6.1!) USER MOD Single : A 49 SER OG : rot -134:sc= -0.941! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0305) USER MOD Single : A 58 SER OG : rot -19:sc= -0.982! USER MOD Single : A 61 HIS : no HD1:sc= -6.44! C(o=-6.4!,f=-10!) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0761 (180deg=-0.557) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 165:sc= -0.044 USER MOD Single : A 84 LYS NZ :NH3+ 163:sc= -0.0391 (180deg=-0.449) USER MOD Single : A 85 ASN : amide:sc= -12.3! C(o=-12!,f=-19!) USER MOD Single : A 88 GLN : amide:sc= -1.84 X(o=-1.8,f=-2.2) USER MOD Single : A 92 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.5) USER MOD Single : A 93 LYS NZ :NH3+ 136:sc= -0.0797 (180deg=-0.635) USER MOD Single : A 95 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 103 THR OG1 : rot -71:sc= -0.13 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -9:sc= 0.564 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 116 SER OG : rot -20:sc= -3.99! USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -167:sc=-0.00953 (180deg=-0.256) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.253) USER MOD Single : A 132 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 133 LYS NZ :NH3+ 164:sc= -0.0165 (180deg=-0.358) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 92:sc= -2.37! USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 109:sc= 0.795 USER MOD ----------------------------------------------------------------- ATOM 49 N VAL A 4 -11.097 53.223 9.915 1.00 0.00 N ATOM 50 CA VAL A 4 -9.902 53.936 10.323 1.00 0.00 C ATOM 51 C VAL A 4 -8.775 53.715 9.317 1.00 0.00 C ATOM 52 O VAL A 4 -8.147 54.667 8.864 1.00 0.00 O ATOM 53 CB VAL A 4 -9.469 53.444 11.706 1.00 0.00 C ATOM 54 CG1 VAL A 4 -10.415 54.008 12.775 1.00 0.00 C ATOM 55 CG2 VAL A 4 -9.493 51.909 11.761 1.00 0.00 C ATOM 0 HA VAL A 4 -10.121 55.003 10.364 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.453 53.789 11.896 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.104 53.656 13.759 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.382 55.097 12.752 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.432 53.672 12.574 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.182 51.576 12.751 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.503 51.553 11.559 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.810 51.507 11.012 1.00 0.00 H new ATOM 65 N TYR A 5 -8.503 52.454 9.010 1.00 0.00 N ATOM 66 CA TYR A 5 -7.417 52.110 8.086 1.00 0.00 C ATOM 67 C TYR A 5 -7.853 52.285 6.654 1.00 0.00 C ATOM 68 O TYR A 5 -7.024 52.521 5.778 1.00 0.00 O ATOM 69 CB TYR A 5 -6.959 50.669 8.342 1.00 0.00 C ATOM 70 CG TYR A 5 -6.139 50.593 9.627 1.00 0.00 C ATOM 71 CD1 TYR A 5 -6.167 51.627 10.583 1.00 0.00 C ATOM 72 CD2 TYR A 5 -5.337 49.480 9.864 1.00 0.00 C ATOM 73 CE1 TYR A 5 -5.418 51.549 11.731 1.00 0.00 C ATOM 74 CE2 TYR A 5 -4.573 49.400 11.037 1.00 0.00 C ATOM 75 CZ TYR A 5 -4.616 50.440 11.968 1.00 0.00 C ATOM 76 OH TYR A 5 -3.871 50.370 13.123 1.00 0.00 O ATOM 0 H TYR A 5 -9.013 51.652 9.382 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.579 52.785 8.262 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.826 50.013 8.417 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.363 50.315 7.501 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -6.787 52.494 10.410 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.303 48.677 9.143 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -5.453 52.352 12.452 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.952 48.535 11.220 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.366 49.530 13.136 1.00 0.00 H new ATOM 86 N LYS A 6 -9.149 52.176 6.426 1.00 0.00 N ATOM 87 CA LYS A 6 -9.688 52.329 5.087 1.00 0.00 C ATOM 88 C LYS A 6 -9.343 53.705 4.528 1.00 0.00 C ATOM 89 O LYS A 6 -8.986 53.838 3.361 1.00 0.00 O ATOM 90 CB LYS A 6 -11.206 52.153 5.113 1.00 0.00 C ATOM 91 CG LYS A 6 -11.748 52.192 3.683 1.00 0.00 C ATOM 92 CD LYS A 6 -13.258 51.941 3.701 1.00 0.00 C ATOM 93 CE LYS A 6 -13.795 51.959 2.269 1.00 0.00 C ATOM 94 NZ LYS A 6 -13.670 53.333 1.710 1.00 0.00 N1+ ATOM 0 H LYS A 6 -9.845 51.983 7.146 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.246 51.566 4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.465 51.206 5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.664 52.942 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.535 53.160 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.251 51.437 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.472 50.980 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.757 52.704 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.240 51.252 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.838 51.643 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.253 53.413 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.994 54.025 2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.675 53.522 1.471 1.00 0.00 H new ATOM 108 N GLY A 7 -9.453 54.725 5.371 1.00 0.00 N ATOM 109 CA GLY A 7 -9.152 56.088 4.953 1.00 0.00 C ATOM 110 C GLY A 7 -7.696 56.216 4.515 1.00 0.00 C ATOM 111 O GLY A 7 -7.349 57.098 3.727 1.00 0.00 O ATOM 0 H GLY A 7 -9.747 54.635 6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.809 56.374 4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.350 56.776 5.774 1.00 0.00 H new ATOM 115 N GLN A 8 -6.849 55.318 5.015 1.00 0.00 N ATOM 116 CA GLN A 8 -5.437 55.335 4.659 1.00 0.00 C ATOM 117 C GLN A 8 -5.217 54.730 3.280 1.00 0.00 C ATOM 118 O GLN A 8 -4.608 55.349 2.408 1.00 0.00 O ATOM 119 CB GLN A 8 -4.623 54.562 5.697 1.00 0.00 C ATOM 120 CG GLN A 8 -4.688 55.289 7.042 1.00 0.00 C ATOM 121 CD GLN A 8 -3.322 55.872 7.386 1.00 0.00 C ATOM 122 OE1 GLN A 8 -2.318 55.506 6.775 1.00 0.00 O ATOM 123 NE2 GLN A 8 -3.223 56.764 8.335 1.00 0.00 N ATOM 0 H GLN A 8 -7.116 54.576 5.662 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.105 56.373 4.639 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.013 53.549 5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.587 54.473 5.369 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.432 56.085 6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.005 54.598 7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.056 57.066 8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.313 57.159 8.571 1.00 0.00 H new ATOM 132 N LEU A 9 -5.723 53.521 3.085 1.00 0.00 N ATOM 133 CA LEU A 9 -5.591 52.849 1.797 1.00 0.00 C ATOM 134 C LEU A 9 -6.310 53.628 0.717 1.00 0.00 C ATOM 135 O LEU A 9 -5.794 53.800 -0.391 1.00 0.00 O ATOM 136 CB LEU A 9 -6.153 51.421 1.895 1.00 0.00 C ATOM 137 CG LEU A 9 -5.567 50.556 0.772 1.00 0.00 C ATOM 138 CD1 LEU A 9 -4.088 50.234 1.073 1.00 0.00 C ATOM 139 CD2 LEU A 9 -6.364 49.255 0.666 1.00 0.00 C ATOM 0 H LEU A 9 -6.225 52.987 3.795 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.535 52.796 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.908 50.989 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.240 51.442 1.821 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.628 51.100 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.679 49.619 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.521 51.162 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.018 49.693 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.950 48.638 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.305 48.714 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.406 49.484 0.443 1.00 0.00 H new ATOM 151 N GLN A 10 -7.501 54.090 1.043 1.00 0.00 N ATOM 152 CA GLN A 10 -8.292 54.843 0.087 1.00 0.00 C ATOM 153 C GLN A 10 -7.521 56.066 -0.392 1.00 0.00 C ATOM 154 O GLN A 10 -7.629 56.475 -1.550 1.00 0.00 O ATOM 155 CB GLN A 10 -9.619 55.284 0.720 1.00 0.00 C ATOM 156 CG GLN A 10 -10.482 56.004 -0.320 1.00 0.00 C ATOM 157 CD GLN A 10 -11.822 56.390 0.292 1.00 0.00 C ATOM 158 OE1 GLN A 10 -12.608 55.458 0.759 1.00 0.00 O flip ATOM 159 NE2 GLN A 10 -12.163 57.571 0.351 1.00 0.00 N flip ATOM 0 H GLN A 10 -7.940 53.959 1.954 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.503 54.198 -0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.152 54.416 1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.426 55.945 1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.966 56.895 -0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.640 55.358 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.548 58.298 -0.014 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.061 57.823 0.765 1.00 0.00 H new ATOM 168 N ALA A 11 -6.733 56.641 0.510 1.00 0.00 N ATOM 169 CA ALA A 11 -5.927 57.808 0.170 1.00 0.00 C ATOM 170 C ALA A 11 -4.868 57.441 -0.866 1.00 0.00 C ATOM 171 O ALA A 11 -4.561 58.227 -1.761 1.00 0.00 O ATOM 172 CB ALA A 11 -5.248 58.357 1.426 1.00 0.00 C ATOM 0 H ALA A 11 -6.635 56.322 1.474 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.582 58.571 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.648 59.228 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.007 58.645 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.605 57.590 1.857 1.00 0.00 H new ATOM 178 N TYR A 12 -4.310 56.238 -0.738 1.00 0.00 N ATOM 179 CA TYR A 12 -3.287 55.776 -1.671 1.00 0.00 C ATOM 180 C TYR A 12 -3.856 55.686 -3.083 1.00 0.00 C ATOM 181 O TYR A 12 -3.259 56.186 -4.034 1.00 0.00 O ATOM 182 CB TYR A 12 -2.765 54.405 -1.236 1.00 0.00 C ATOM 183 CG TYR A 12 -1.779 53.896 -2.259 1.00 0.00 C ATOM 184 CD1 TYR A 12 -0.499 54.459 -2.341 1.00 0.00 C ATOM 185 CD2 TYR A 12 -2.143 52.858 -3.128 1.00 0.00 C ATOM 186 CE1 TYR A 12 0.413 53.985 -3.289 1.00 0.00 C ATOM 187 CE2 TYR A 12 -1.231 52.385 -4.076 1.00 0.00 C ATOM 188 CZ TYR A 12 0.049 52.947 -4.156 1.00 0.00 C ATOM 189 OH TYR A 12 0.949 52.482 -5.092 1.00 0.00 O ATOM 0 H TYR A 12 -4.547 55.571 -0.003 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.465 56.492 -1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.287 54.479 -0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.593 53.704 -1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.217 55.259 -1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.130 52.423 -3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.400 54.420 -3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.513 51.587 -4.746 1.00 0.00 H new ATOM 0 HH TYR A 12 0.537 51.760 -5.612 1.00 0.00 H new ATOM 199 N ALA A 13 -5.015 55.054 -3.210 1.00 0.00 N ATOM 200 CA ALA A 13 -5.657 54.915 -4.513 1.00 0.00 C ATOM 201 C ALA A 13 -5.867 56.286 -5.149 1.00 0.00 C ATOM 202 O ALA A 13 -5.757 56.441 -6.365 1.00 0.00 O ATOM 203 CB ALA A 13 -7.016 54.207 -4.346 1.00 0.00 C ATOM 0 H ALA A 13 -5.527 54.632 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.013 54.321 -5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.495 54.104 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.861 53.219 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.655 54.796 -3.688 1.00 0.00 H new ATOM 209 N LEU A 14 -6.187 57.270 -4.318 1.00 0.00 N ATOM 210 CA LEU A 14 -6.427 58.617 -4.814 1.00 0.00 C ATOM 211 C LEU A 14 -5.167 59.175 -5.468 1.00 0.00 C ATOM 212 O LEU A 14 -5.219 59.741 -6.560 1.00 0.00 O ATOM 213 CB LEU A 14 -6.855 59.533 -3.661 1.00 0.00 C ATOM 214 CG LEU A 14 -7.169 60.936 -4.200 1.00 0.00 C ATOM 215 CD1 LEU A 14 -8.442 60.892 -5.057 1.00 0.00 C ATOM 216 CD2 LEU A 14 -7.367 61.896 -3.029 1.00 0.00 C ATOM 0 H LEU A 14 -6.285 57.162 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.224 58.575 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.732 59.120 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.062 59.589 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.339 61.281 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.660 61.890 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.294 60.210 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.278 60.545 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.590 62.893 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.195 61.550 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.457 61.932 -2.430 1.00 0.00 H new ATOM 228 N GLN A 15 -4.040 59.023 -4.785 1.00 0.00 N ATOM 229 CA GLN A 15 -2.778 59.525 -5.304 1.00 0.00 C ATOM 230 C GLN A 15 -2.311 58.685 -6.489 1.00 0.00 C ATOM 231 O GLN A 15 -1.821 59.216 -7.486 1.00 0.00 O ATOM 232 CB GLN A 15 -1.711 59.499 -4.204 1.00 0.00 C ATOM 233 CG GLN A 15 -0.376 60.011 -4.763 1.00 0.00 C ATOM 234 CD GLN A 15 0.347 58.891 -5.505 1.00 0.00 C ATOM 235 OE1 GLN A 15 0.401 57.761 -5.024 1.00 0.00 O ATOM 236 NE2 GLN A 15 0.896 59.138 -6.662 1.00 0.00 N ATOM 0 H GLN A 15 -3.975 58.560 -3.878 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.929 60.551 -5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.026 60.119 -3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.592 58.484 -3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.553 60.849 -5.437 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.249 60.382 -3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.850 60.077 -7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.372 58.393 -7.170 1.00 0.00 H new ATOM 245 N HIS A 16 -2.453 57.372 -6.364 1.00 0.00 N ATOM 246 CA HIS A 16 -2.033 56.460 -7.422 1.00 0.00 C ATOM 247 C HIS A 16 -3.105 56.359 -8.499 1.00 0.00 C ATOM 248 O HIS A 16 -2.898 55.729 -9.534 1.00 0.00 O ATOM 249 CB HIS A 16 -1.755 55.072 -6.842 1.00 0.00 C ATOM 250 CG HIS A 16 -0.996 54.250 -7.849 1.00 0.00 C ATOM 251 ND1 HIS A 16 -1.586 53.773 -9.008 1.00 0.00 N ATOM 252 CD2 HIS A 16 0.304 53.811 -7.882 1.00 0.00 C ATOM 253 CE1 HIS A 16 -0.652 53.081 -9.685 1.00 0.00 C ATOM 254 NE2 HIS A 16 0.519 53.073 -9.043 1.00 0.00 N ATOM 0 H HIS A 16 -2.854 56.915 -5.545 1.00 0.00 H new ATOM 0 HA HIS A 16 -1.120 56.853 -7.870 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.179 55.160 -5.920 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.693 54.578 -6.586 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.047 54.008 -7.123 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.828 52.592 -10.632 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.385 52.623 -9.339 1.00 0.00 H new ATOM 262 N ASN A 17 -4.254 56.982 -8.244 1.00 0.00 N ATOM 263 CA ASN A 17 -5.352 56.956 -9.203 1.00 0.00 C ATOM 264 C ASN A 17 -5.737 55.522 -9.532 1.00 0.00 C ATOM 265 O ASN A 17 -5.565 55.069 -10.662 1.00 0.00 O ATOM 266 CB ASN A 17 -4.951 57.684 -10.485 1.00 0.00 C ATOM 267 CG ASN A 17 -4.872 59.184 -10.226 1.00 0.00 C ATOM 268 OD1 ASN A 17 -5.405 59.672 -9.231 1.00 0.00 O ATOM 269 ND2 ASN A 17 -4.234 59.949 -11.070 1.00 0.00 N ATOM 0 H ASN A 17 -4.446 57.505 -7.390 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.209 57.460 -8.756 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.987 57.316 -10.837 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.677 57.480 -11.272 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.177 60.954 -10.905 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.793 59.542 -11.895 1.00 0.00 H new ATOM 276 N LEU A 18 -6.257 54.805 -8.536 1.00 0.00 N ATOM 277 CA LEU A 18 -6.669 53.413 -8.730 1.00 0.00 C ATOM 278 C LEU A 18 -8.111 53.213 -8.290 1.00 0.00 C ATOM 279 O LEU A 18 -8.591 53.881 -7.377 1.00 0.00 O ATOM 280 CB LEU A 18 -5.752 52.491 -7.923 1.00 0.00 C ATOM 281 CG LEU A 18 -4.305 52.666 -8.395 1.00 0.00 C ATOM 282 CD1 LEU A 18 -3.374 51.838 -7.503 1.00 0.00 C ATOM 283 CD2 LEU A 18 -4.171 52.196 -9.855 1.00 0.00 C ATOM 0 H LEU A 18 -6.403 55.161 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.593 53.171 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.829 52.723 -6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.063 51.453 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.031 53.719 -8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.344 51.962 -7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.463 52.177 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.652 50.786 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.140 52.323 -10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.448 51.144 -9.925 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.830 52.788 -10.490 1.00 0.00 H new ATOM 295 N GLU A 19 -8.798 52.281 -8.946 1.00 0.00 N ATOM 296 CA GLU A 19 -10.187 51.995 -8.614 1.00 0.00 C ATOM 297 C GLU A 19 -10.380 51.962 -7.102 1.00 0.00 C ATOM 298 O GLU A 19 -9.612 51.326 -6.379 1.00 0.00 O ATOM 299 CB GLU A 19 -10.598 50.646 -9.207 1.00 0.00 C ATOM 300 CG GLU A 19 -10.647 50.751 -10.733 1.00 0.00 C ATOM 301 CD GLU A 19 -10.982 49.393 -11.340 1.00 0.00 C ATOM 302 OE1 GLU A 19 -11.129 48.448 -10.582 1.00 0.00 O ATOM 303 OE2 GLU A 19 -11.092 49.320 -12.554 1.00 0.00 O1- ATOM 0 H GLU A 19 -8.417 51.716 -9.705 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.810 52.784 -9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.889 49.874 -8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.573 50.349 -8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.395 51.486 -11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.687 51.101 -11.112 1.00 0.00 H new ATOM 310 N LEU A 20 -11.405 52.658 -6.635 1.00 0.00 N ATOM 311 CA LEU A 20 -11.689 52.717 -5.212 1.00 0.00 C ATOM 312 C LEU A 20 -11.626 51.319 -4.590 1.00 0.00 C ATOM 313 O LEU A 20 -12.005 50.334 -5.228 1.00 0.00 O ATOM 314 CB LEU A 20 -13.076 53.320 -4.965 1.00 0.00 C ATOM 315 CG LEU A 20 -13.265 54.535 -5.870 1.00 0.00 C ATOM 316 CD1 LEU A 20 -14.583 55.229 -5.524 1.00 0.00 C ATOM 317 CD2 LEU A 20 -12.102 55.514 -5.664 1.00 0.00 C ATOM 0 H LEU A 20 -12.051 53.188 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.934 53.350 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.849 52.578 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.178 53.611 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.287 54.212 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.718 56.096 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.410 54.534 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.562 55.552 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.238 56.381 -6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.079 55.837 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.162 55.020 -5.912 1.00 0.00 H new ATOM 329 N PRO A 21 -11.164 51.217 -3.368 1.00 0.00 N ATOM 330 CA PRO A 21 -11.057 49.912 -2.657 1.00 0.00 C ATOM 331 C PRO A 21 -12.419 49.352 -2.281 1.00 0.00 C ATOM 332 O PRO A 21 -13.379 50.098 -2.091 1.00 0.00 O ATOM 333 CB PRO A 21 -10.230 50.253 -1.406 1.00 0.00 C ATOM 334 CG PRO A 21 -10.478 51.708 -1.159 1.00 0.00 C ATOM 335 CD PRO A 21 -10.697 52.334 -2.530 1.00 0.00 C ATOM 0 HA PRO A 21 -10.601 49.139 -3.276 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.540 49.650 -0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.170 50.056 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.349 51.853 -0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.630 52.168 -0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.434 53.136 -2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.777 52.767 -2.921 1.00 0.00 H new ATOM 343 N VAL A 22 -12.489 48.032 -2.159 1.00 0.00 N ATOM 344 CA VAL A 22 -13.741 47.371 -1.782 1.00 0.00 C ATOM 345 C VAL A 22 -13.497 46.348 -0.677 1.00 0.00 C ATOM 346 O VAL A 22 -12.577 45.543 -0.759 1.00 0.00 O ATOM 347 CB VAL A 22 -14.350 46.677 -3.003 1.00 0.00 C ATOM 348 CG1 VAL A 22 -15.548 45.828 -2.568 1.00 0.00 C ATOM 349 CG2 VAL A 22 -14.810 47.728 -4.014 1.00 0.00 C ATOM 0 H VAL A 22 -11.704 47.400 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.433 48.127 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.599 46.035 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.980 45.335 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.220 45.076 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.298 46.468 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.243 47.232 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.558 48.373 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.957 48.329 -4.328 1.00 0.00 H new ATOM 359 N TYR A 23 -14.329 46.390 0.364 1.00 0.00 N ATOM 360 CA TYR A 23 -14.209 45.471 1.483 1.00 0.00 C ATOM 361 C TYR A 23 -15.331 44.445 1.454 1.00 0.00 C ATOM 362 O TYR A 23 -16.414 44.709 0.935 1.00 0.00 O ATOM 363 CB TYR A 23 -14.249 46.244 2.792 1.00 0.00 C ATOM 364 CG TYR A 23 -12.967 47.029 2.956 1.00 0.00 C ATOM 365 CD1 TYR A 23 -12.687 48.097 2.107 1.00 0.00 C ATOM 366 CD2 TYR A 23 -12.064 46.679 3.958 1.00 0.00 C ATOM 367 CE1 TYR A 23 -11.506 48.820 2.258 1.00 0.00 C ATOM 368 CE2 TYR A 23 -10.873 47.400 4.121 1.00 0.00 C ATOM 369 CZ TYR A 23 -10.592 48.476 3.266 1.00 0.00 C ATOM 370 OH TYR A 23 -9.422 49.191 3.414 1.00 0.00 O ATOM 0 H TYR A 23 -15.096 47.057 0.450 1.00 0.00 H new ATOM 0 HA TYR A 23 -13.257 44.947 1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -15.105 46.919 2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -14.376 45.557 3.628 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -13.387 48.365 1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.283 45.848 4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.293 49.648 1.598 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.176 47.129 4.900 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.487 50.031 2.914 1.00 0.00 H new ATOM 380 N ALA A 24 -15.075 43.283 2.048 1.00 0.00 N ATOM 381 CA ALA A 24 -16.090 42.226 2.127 1.00 0.00 C ATOM 382 C ALA A 24 -16.416 41.934 3.581 1.00 0.00 C ATOM 383 O ALA A 24 -15.527 41.812 4.407 1.00 0.00 O ATOM 384 CB ALA A 24 -15.576 40.954 1.449 1.00 0.00 C ATOM 0 H ALA A 24 -14.182 43.046 2.480 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.992 42.563 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.336 40.175 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.357 41.163 0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.668 40.617 1.949 1.00 0.00 H new ATOM 390 N ASN A 25 -17.705 41.844 3.892 1.00 0.00 N ATOM 391 CA ASN A 25 -18.140 41.585 5.269 1.00 0.00 C ATOM 392 C ASN A 25 -18.800 40.218 5.382 1.00 0.00 C ATOM 393 O ASN A 25 -19.735 39.901 4.645 1.00 0.00 O ATOM 394 CB ASN A 25 -19.139 42.666 5.699 1.00 0.00 C ATOM 395 CG ASN A 25 -18.448 44.025 5.751 1.00 0.00 C ATOM 396 OD1 ASN A 25 -17.146 44.086 5.742 1.00 0.00 O flip ATOM 397 ND2 ASN A 25 -19.115 45.062 5.801 1.00 0.00 N flip ATOM 0 H ASN A 25 -18.465 41.945 3.219 1.00 0.00 H new ATOM 0 HA ASN A 25 -17.264 41.603 5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -19.974 42.700 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.553 42.422 6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.134 45.013 5.808 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.648 45.968 5.835 1.00 0.00 H new ATOM 404 N GLU A 26 -18.326 39.422 6.337 1.00 0.00 N ATOM 405 CA GLU A 26 -18.906 38.098 6.574 1.00 0.00 C ATOM 406 C GLU A 26 -19.110 37.877 8.066 1.00 0.00 C ATOM 407 O GLU A 26 -18.220 38.148 8.872 1.00 0.00 O ATOM 408 CB GLU A 26 -17.999 37.013 6.010 1.00 0.00 C ATOM 409 CG GLU A 26 -17.867 37.201 4.498 1.00 0.00 C ATOM 410 CD GLU A 26 -19.211 36.956 3.820 1.00 0.00 C ATOM 411 OE1 GLU A 26 -20.053 36.324 4.433 1.00 0.00 O ATOM 412 OE2 GLU A 26 -19.379 37.407 2.699 1.00 0.00 O1- ATOM 0 H GLU A 26 -17.551 39.664 6.954 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.871 38.046 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.017 37.062 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.410 36.028 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.519 38.210 4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.120 36.513 4.102 1.00 0.00 H new ATOM 419 N ARG A 27 -20.290 37.386 8.434 1.00 0.00 N ATOM 420 CA ARG A 27 -20.604 37.145 9.844 1.00 0.00 C ATOM 421 C ARG A 27 -21.301 35.801 10.014 1.00 0.00 C ATOM 422 O ARG A 27 -22.359 35.557 9.431 1.00 0.00 O ATOM 423 CB ARG A 27 -21.517 38.254 10.371 1.00 0.00 C ATOM 424 CG ARG A 27 -21.681 38.105 11.886 1.00 0.00 C ATOM 425 CD ARG A 27 -22.731 39.097 12.388 1.00 0.00 C ATOM 426 NE ARG A 27 -24.058 38.695 11.930 1.00 0.00 N ATOM 427 CZ ARG A 27 -24.766 37.784 12.592 1.00 0.00 C ATOM 428 NH1 ARG A 27 -24.275 37.231 13.668 1.00 0.00 N ATOM 429 NH2 ARG A 27 -25.950 37.443 12.164 1.00 0.00 N1+ ATOM 0 H ARG A 27 -21.040 37.148 7.785 1.00 0.00 H new ATOM 0 HA ARG A 27 -19.671 37.137 10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -21.094 39.230 10.135 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -22.490 38.201 9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -21.982 37.086 12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -20.728 38.285 12.385 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -22.711 39.140 13.477 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -22.500 40.098 12.025 1.00 0.00 H new ATOM 0 HE ARG A 27 -24.448 39.120 11.089 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -23.348 37.498 14.001 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -24.818 36.532 14.176 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -26.332 37.875 11.323 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -26.494 36.745 12.671 1.00 0.00 H new ATOM 443 N GLU A 28 -20.702 34.930 10.824 1.00 0.00 N ATOM 444 CA GLU A 28 -21.283 33.621 11.068 1.00 0.00 C ATOM 445 C GLU A 28 -20.693 33.004 12.330 1.00 0.00 C ATOM 446 O GLU A 28 -19.476 33.018 12.532 1.00 0.00 O ATOM 447 CB GLU A 28 -21.024 32.691 9.878 1.00 0.00 C ATOM 448 CG GLU A 28 -21.955 31.475 9.957 1.00 0.00 C ATOM 449 CD GLU A 28 -21.518 30.555 11.092 1.00 0.00 C ATOM 450 OE1 GLU A 28 -20.331 30.512 11.370 1.00 0.00 O ATOM 451 OE2 GLU A 28 -22.377 29.908 11.669 1.00 0.00 O1- ATOM 0 H GLU A 28 -19.826 35.108 11.315 1.00 0.00 H new ATOM 0 HA GLU A 28 -22.358 33.746 11.199 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -21.189 33.227 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -19.984 32.365 9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.982 31.803 10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.939 30.933 9.012 1.00 0.00 H new ATOM 458 N GLY A 29 -21.552 32.463 13.181 1.00 0.00 N ATOM 459 CA GLY A 29 -21.095 31.832 14.407 1.00 0.00 C ATOM 460 C GLY A 29 -22.103 32.033 15.542 1.00 0.00 C ATOM 461 O GLY A 29 -22.812 33.041 15.576 1.00 0.00 O ATOM 0 H GLY A 29 -22.563 32.449 13.045 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.944 30.766 14.236 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.130 32.249 14.696 1.00 0.00 H new ATOM 465 N PRO A 30 -22.156 31.116 16.473 1.00 0.00 N ATOM 466 CA PRO A 30 -23.061 31.217 17.644 1.00 0.00 C ATOM 467 C PRO A 30 -23.019 32.609 18.286 1.00 0.00 C ATOM 468 O PRO A 30 -22.054 33.357 18.111 1.00 0.00 O ATOM 469 CB PRO A 30 -22.517 30.154 18.617 1.00 0.00 C ATOM 470 CG PRO A 30 -21.825 29.148 17.759 1.00 0.00 C ATOM 471 CD PRO A 30 -21.367 29.876 16.498 1.00 0.00 C ATOM 0 HA PRO A 30 -24.104 31.060 17.369 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -21.828 30.596 19.337 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -23.324 29.695 19.188 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -20.974 28.714 18.284 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -22.497 28.328 17.508 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -20.298 30.088 16.530 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -21.547 29.275 15.607 1.00 0.00 H new ATOM 479 N PRO A 31 -24.033 32.956 19.030 1.00 0.00 N ATOM 480 CA PRO A 31 -24.117 34.277 19.720 1.00 0.00 C ATOM 481 C PRO A 31 -22.931 34.513 20.649 1.00 0.00 C ATOM 482 O PRO A 31 -22.387 35.616 20.707 1.00 0.00 O ATOM 483 CB PRO A 31 -25.441 34.199 20.508 1.00 0.00 C ATOM 484 CG PRO A 31 -25.769 32.741 20.577 1.00 0.00 C ATOM 485 CD PRO A 31 -25.214 32.128 19.308 1.00 0.00 C ATOM 0 HA PRO A 31 -24.091 35.110 19.018 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -25.332 34.626 21.505 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -26.231 34.757 20.007 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -25.323 32.282 21.459 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -26.846 32.586 20.647 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -24.948 31.080 19.449 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -25.935 32.167 18.492 1.00 0.00 H new ATOM 493 N HIS A 32 -22.541 33.475 21.381 1.00 0.00 N ATOM 494 CA HIS A 32 -21.418 33.580 22.308 1.00 0.00 C ATOM 495 C HIS A 32 -20.118 33.229 21.593 1.00 0.00 C ATOM 496 O HIS A 32 -19.038 33.298 22.178 1.00 0.00 O ATOM 497 CB HIS A 32 -21.616 32.627 23.487 1.00 0.00 C ATOM 498 CG HIS A 32 -22.811 33.059 24.289 1.00 0.00 C ATOM 499 ND1 HIS A 32 -24.081 32.562 24.045 1.00 0.00 N ATOM 500 CD2 HIS A 32 -22.947 33.940 25.333 1.00 0.00 C ATOM 501 CE1 HIS A 32 -24.920 33.141 24.923 1.00 0.00 C ATOM 502 NE2 HIS A 32 -24.280 33.990 25.730 1.00 0.00 N ATOM 0 H HIS A 32 -22.982 32.556 21.352 1.00 0.00 H new ATOM 0 HA HIS A 32 -21.367 34.605 22.676 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -21.757 31.609 23.125 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -20.726 32.621 24.116 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -22.143 34.507 25.778 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -25.981 32.943 24.969 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -24.682 34.555 26.478 1.00 0.00 H new ATOM 510 N ALA A 33 -20.230 32.881 20.315 1.00 0.00 N ATOM 511 CA ALA A 33 -19.052 32.550 19.511 1.00 0.00 C ATOM 512 C ALA A 33 -19.175 33.117 18.100 1.00 0.00 C ATOM 513 O ALA A 33 -19.167 32.373 17.123 1.00 0.00 O ATOM 514 CB ALA A 33 -18.891 31.031 19.448 1.00 0.00 C ATOM 0 H ALA A 33 -21.116 32.820 19.814 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.175 32.995 19.980 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -18.014 30.783 18.850 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.766 30.636 20.456 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -19.778 30.590 18.993 1.00 0.00 H new ATOM 520 N PRO A 34 -19.275 34.416 17.984 1.00 0.00 N ATOM 521 CA PRO A 34 -19.385 35.096 16.665 1.00 0.00 C ATOM 522 C PRO A 34 -18.033 35.228 15.978 1.00 0.00 C ATOM 523 O PRO A 34 -17.009 35.418 16.635 1.00 0.00 O ATOM 524 CB PRO A 34 -19.967 36.469 17.018 1.00 0.00 C ATOM 525 CG PRO A 34 -19.495 36.746 18.416 1.00 0.00 C ATOM 526 CD PRO A 34 -19.297 35.379 19.098 1.00 0.00 C ATOM 0 HA PRO A 34 -20.002 34.539 15.960 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.618 37.235 16.325 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -21.056 36.462 16.964 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.563 37.311 18.404 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.225 37.347 18.959 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.368 35.350 19.668 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -20.106 35.162 19.796 1.00 0.00 H new ATOM 534 N ARG A 35 -18.038 35.151 14.647 1.00 0.00 N ATOM 535 CA ARG A 35 -16.803 35.285 13.882 1.00 0.00 C ATOM 536 C ARG A 35 -16.987 36.292 12.767 1.00 0.00 C ATOM 537 O ARG A 35 -17.914 36.185 11.962 1.00 0.00 O ATOM 538 CB ARG A 35 -16.407 33.933 13.295 1.00 0.00 C ATOM 539 CG ARG A 35 -16.064 32.967 14.431 1.00 0.00 C ATOM 540 CD ARG A 35 -15.701 31.601 13.848 1.00 0.00 C ATOM 541 NE ARG A 35 -15.425 30.652 14.923 1.00 0.00 N ATOM 542 CZ ARG A 35 -14.216 30.558 15.467 1.00 0.00 C ATOM 543 NH1 ARG A 35 -13.251 31.326 15.041 1.00 0.00 N ATOM 544 NH2 ARG A 35 -13.997 29.702 16.424 1.00 0.00 N1+ ATOM 0 H ARG A 35 -18.874 34.998 14.083 1.00 0.00 H new ATOM 0 HA ARG A 35 -16.013 35.633 14.547 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.224 33.531 12.695 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.551 34.049 12.631 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -15.231 33.358 15.015 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -16.912 32.871 15.109 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.519 31.233 13.229 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.828 31.693 13.201 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.175 30.050 15.263 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.425 31.996 14.292 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.322 31.256 15.457 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.753 29.104 16.756 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.069 29.630 16.841 1.00 0.00 H new ATOM 558 N PHE A 36 -16.085 37.279 12.705 1.00 0.00 N ATOM 559 CA PHE A 36 -16.166 38.295 11.652 1.00 0.00 C ATOM 560 C PHE A 36 -14.991 38.198 10.698 1.00 0.00 C ATOM 561 O PHE A 36 -13.882 38.588 11.019 1.00 0.00 O ATOM 562 CB PHE A 36 -16.155 39.684 12.293 1.00 0.00 C ATOM 563 CG PHE A 36 -17.319 39.809 13.239 1.00 0.00 C ATOM 564 CD1 PHE A 36 -18.563 40.196 12.751 1.00 0.00 C ATOM 565 CD2 PHE A 36 -17.155 39.533 14.596 1.00 0.00 C ATOM 566 CE1 PHE A 36 -19.654 40.318 13.623 1.00 0.00 C ATOM 567 CE2 PHE A 36 -18.235 39.646 15.466 1.00 0.00 C ATOM 568 CZ PHE A 36 -19.491 40.044 14.989 1.00 0.00 C ATOM 0 H PHE A 36 -15.308 37.394 13.356 1.00 0.00 H new ATOM 0 HA PHE A 36 -17.087 38.129 11.093 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -15.219 39.842 12.828 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -16.215 40.452 11.522 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -18.689 40.403 11.698 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -16.189 39.231 14.972 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -20.618 40.622 13.244 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -18.104 39.426 16.515 1.00 0.00 H new ATOM 0 HZ PHE A 36 -20.326 40.139 15.667 1.00 0.00 H new ATOM 578 N ARG A 37 -15.241 37.648 9.519 1.00 0.00 N ATOM 579 CA ARG A 37 -14.178 37.493 8.516 1.00 0.00 C ATOM 580 C ARG A 37 -14.351 38.543 7.429 1.00 0.00 C ATOM 581 O ARG A 37 -15.262 38.460 6.603 1.00 0.00 O ATOM 582 CB ARG A 37 -14.239 36.098 7.879 1.00 0.00 C ATOM 583 CG ARG A 37 -13.940 35.037 8.939 1.00 0.00 C ATOM 584 CD ARG A 37 -14.127 33.643 8.337 1.00 0.00 C ATOM 585 NE ARG A 37 -13.132 33.401 7.300 1.00 0.00 N ATOM 586 CZ ARG A 37 -13.160 32.292 6.568 1.00 0.00 C ATOM 587 NH1 ARG A 37 -14.091 31.399 6.770 1.00 0.00 N ATOM 588 NH2 ARG A 37 -12.258 32.095 5.645 1.00 0.00 N1+ ATOM 0 H ARG A 37 -16.156 37.303 9.228 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.213 37.618 9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.225 35.927 7.447 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.518 36.027 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.920 35.152 9.305 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.603 35.167 9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.039 32.888 9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.129 33.552 7.917 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.402 34.094 7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.797 31.552 7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.112 30.548 6.208 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.531 32.792 5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.280 31.244 5.084 1.00 0.00 H new ATOM 602 N CYS A 38 -13.489 39.551 7.447 1.00 0.00 N ATOM 603 CA CYS A 38 -13.564 40.632 6.465 1.00 0.00 C ATOM 604 C CYS A 38 -12.340 40.608 5.566 1.00 0.00 C ATOM 605 O CYS A 38 -11.207 40.593 6.046 1.00 0.00 O ATOM 606 CB CYS A 38 -13.654 41.984 7.166 1.00 0.00 C ATOM 607 SG CYS A 38 -13.913 43.293 5.949 1.00 0.00 S ATOM 0 H CYS A 38 -12.733 39.646 8.125 1.00 0.00 H new ATOM 0 HA CYS A 38 -14.459 40.485 5.860 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -14.473 41.977 7.885 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -12.739 42.174 7.728 1.00 0.00 H new ATOM 0 HG CYS A 38 -14.649 42.842 4.977 1.00 0.00 H new ATOM 613 N ASN A 39 -12.576 40.624 4.263 1.00 0.00 N ATOM 614 CA ASN A 39 -11.478 40.623 3.287 1.00 0.00 C ATOM 615 C ASN A 39 -11.401 41.966 2.580 1.00 0.00 C ATOM 616 O ASN A 39 -12.376 42.719 2.555 1.00 0.00 O ATOM 617 CB ASN A 39 -11.676 39.511 2.263 1.00 0.00 C ATOM 618 CG ASN A 39 -10.542 39.534 1.244 1.00 0.00 C ATOM 619 OD1 ASN A 39 -9.382 39.333 1.600 1.00 0.00 O ATOM 620 ND2 ASN A 39 -10.812 39.778 -0.011 1.00 0.00 N ATOM 0 H ASN A 39 -13.509 40.638 3.851 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.544 40.448 3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.706 38.544 2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.633 39.637 1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.060 39.802 -0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.775 39.944 -0.302 1.00 0.00 H new ATOM 627 N VAL A 40 -10.236 42.268 2.005 1.00 0.00 N ATOM 628 CA VAL A 40 -10.049 43.538 1.297 1.00 0.00 C ATOM 629 C VAL A 40 -9.650 43.280 -0.150 1.00 0.00 C ATOM 630 O VAL A 40 -8.656 42.604 -0.428 1.00 0.00 O ATOM 631 CB VAL A 40 -8.956 44.356 1.989 1.00 0.00 C ATOM 632 CG1 VAL A 40 -7.676 43.521 2.106 1.00 0.00 C ATOM 633 CG2 VAL A 40 -8.665 45.615 1.168 1.00 0.00 C ATOM 0 H VAL A 40 -9.417 41.660 2.014 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.987 44.092 1.314 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.296 44.637 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.902 44.109 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.879 42.624 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.336 43.235 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.887 46.198 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.329 45.330 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.572 46.215 1.088 1.00 0.00 H new ATOM 643 N THR A 41 -10.431 43.832 -1.073 1.00 0.00 N ATOM 644 CA THR A 41 -10.148 43.666 -2.502 1.00 0.00 C ATOM 645 C THR A 41 -9.498 44.924 -3.062 1.00 0.00 C ATOM 646 O THR A 41 -10.081 46.009 -3.018 1.00 0.00 O ATOM 647 CB THR A 41 -11.442 43.377 -3.263 1.00 0.00 C ATOM 648 OG1 THR A 41 -12.027 42.187 -2.754 1.00 0.00 O ATOM 649 CG2 THR A 41 -11.132 43.202 -4.749 1.00 0.00 C ATOM 0 H THR A 41 -11.257 44.393 -0.865 1.00 0.00 H new ATOM 0 HA THR A 41 -9.463 42.827 -2.624 1.00 0.00 H new ATOM 0 HB THR A 41 -12.136 44.208 -3.136 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.858 41.998 -3.238 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.055 42.996 -5.291 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.680 44.115 -5.136 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.440 42.370 -4.881 1.00 0.00 H new ATOM 657 N PHE A 42 -8.286 44.774 -3.591 1.00 0.00 N ATOM 658 CA PHE A 42 -7.568 45.912 -4.162 1.00 0.00 C ATOM 659 C PHE A 42 -6.806 45.493 -5.413 1.00 0.00 C ATOM 660 O PHE A 42 -6.110 44.482 -5.417 1.00 0.00 O ATOM 661 CB PHE A 42 -6.583 46.479 -3.122 1.00 0.00 C ATOM 662 CG PHE A 42 -6.361 47.953 -3.380 1.00 0.00 C ATOM 663 CD1 PHE A 42 -7.437 48.839 -3.284 1.00 0.00 C ATOM 664 CD2 PHE A 42 -5.093 48.429 -3.720 1.00 0.00 C ATOM 665 CE1 PHE A 42 -7.252 50.203 -3.523 1.00 0.00 C ATOM 666 CE2 PHE A 42 -4.902 49.794 -3.959 1.00 0.00 C ATOM 667 CZ PHE A 42 -5.979 50.679 -3.860 1.00 0.00 C ATOM 0 H PHE A 42 -7.785 43.887 -3.637 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.293 46.679 -4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.976 46.331 -2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.635 45.944 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.417 48.467 -3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.261 47.745 -3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.085 50.886 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.922 50.164 -4.220 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.829 51.733 -4.044 1.00 0.00 H new ATOM 677 N CYS A 43 -6.939 46.278 -6.472 1.00 0.00 N ATOM 678 CA CYS A 43 -6.254 45.979 -7.725 1.00 0.00 C ATOM 679 C CYS A 43 -6.314 44.485 -8.027 1.00 0.00 C ATOM 680 O CYS A 43 -5.410 43.931 -8.652 1.00 0.00 O ATOM 681 CB CYS A 43 -4.792 46.427 -7.641 1.00 0.00 C ATOM 682 SG CYS A 43 -4.711 48.095 -6.947 1.00 0.00 S ATOM 0 H CYS A 43 -7.511 47.122 -6.491 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.754 46.520 -8.528 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.224 45.735 -7.019 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.338 46.412 -8.632 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.587 48.022 -5.655 1.00 0.00 H new ATOM 688 N GLY A 44 -7.388 43.840 -7.578 1.00 0.00 N ATOM 689 CA GLY A 44 -7.554 42.411 -7.805 1.00 0.00 C ATOM 690 C GLY A 44 -6.745 41.598 -6.806 1.00 0.00 C ATOM 691 O GLY A 44 -6.233 40.527 -7.135 1.00 0.00 O ATOM 0 H GLY A 44 -8.148 44.281 -7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.608 42.147 -7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.241 42.162 -8.819 1.00 0.00 H new ATOM 695 N GLN A 45 -6.623 42.112 -5.584 1.00 0.00 N ATOM 696 CA GLN A 45 -5.865 41.423 -4.538 1.00 0.00 C ATOM 697 C GLN A 45 -6.729 41.212 -3.308 1.00 0.00 C ATOM 698 O GLN A 45 -7.224 42.169 -2.713 1.00 0.00 O ATOM 699 CB GLN A 45 -4.633 42.246 -4.162 1.00 0.00 C ATOM 700 CG GLN A 45 -3.679 42.308 -5.357 1.00 0.00 C ATOM 701 CD GLN A 45 -2.466 43.164 -5.011 1.00 0.00 C ATOM 702 OE1 GLN A 45 -2.338 43.632 -3.881 1.00 0.00 O ATOM 703 NE2 GLN A 45 -1.561 43.397 -5.924 1.00 0.00 N ATOM 0 H GLN A 45 -7.036 42.998 -5.293 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.551 40.451 -4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.930 43.252 -3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.131 41.798 -3.304 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.359 41.302 -5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.194 42.725 -6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.669 43.008 -6.861 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.746 43.968 -5.700 1.00 0.00 H new ATOM 712 N THR A 46 -6.912 39.949 -2.924 1.00 0.00 N ATOM 713 CA THR A 46 -7.727 39.621 -1.753 1.00 0.00 C ATOM 714 C THR A 46 -6.850 39.169 -0.597 1.00 0.00 C ATOM 715 O THR A 46 -6.413 38.021 -0.548 1.00 0.00 O ATOM 716 CB THR A 46 -8.714 38.508 -2.107 1.00 0.00 C ATOM 717 OG1 THR A 46 -7.996 37.352 -2.518 1.00 0.00 O ATOM 718 CG2 THR A 46 -9.630 38.971 -3.241 1.00 0.00 C ATOM 0 H THR A 46 -6.511 39.142 -3.402 1.00 0.00 H new ATOM 0 HA THR A 46 -8.272 40.515 -1.451 1.00 0.00 H new ATOM 0 HB THR A 46 -9.318 38.270 -1.232 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.210 37.234 -1.945 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.332 38.175 -3.490 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.182 39.856 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.030 39.213 -4.118 1.00 0.00 H new ATOM 726 N PHE A 47 -6.590 40.086 0.333 1.00 0.00 N ATOM 727 CA PHE A 47 -5.755 39.773 1.493 1.00 0.00 C ATOM 728 C PHE A 47 -6.625 39.571 2.729 1.00 0.00 C ATOM 729 O PHE A 47 -7.606 40.285 2.937 1.00 0.00 O ATOM 730 CB PHE A 47 -4.756 40.914 1.743 1.00 0.00 C ATOM 731 CG PHE A 47 -3.541 40.729 0.861 1.00 0.00 C ATOM 732 CD1 PHE A 47 -3.694 40.564 -0.522 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.260 40.712 1.429 1.00 0.00 C ATOM 734 CE1 PHE A 47 -2.567 40.388 -1.330 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.136 40.538 0.619 1.00 0.00 C ATOM 736 CZ PHE A 47 -1.289 40.375 -0.761 1.00 0.00 C ATOM 0 H PHE A 47 -6.941 41.043 0.308 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.206 38.853 1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.226 41.875 1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.458 40.926 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.680 40.573 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.142 40.834 2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.683 40.262 -2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.149 40.529 1.058 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.420 40.239 -1.388 1.00 0.00 H new ATOM 746 N GLN A 48 -6.252 38.591 3.543 1.00 0.00 N ATOM 747 CA GLN A 48 -7.000 38.297 4.761 1.00 0.00 C ATOM 748 C GLN A 48 -6.105 37.614 5.788 1.00 0.00 C ATOM 749 O GLN A 48 -5.085 37.020 5.439 1.00 0.00 O ATOM 750 CB GLN A 48 -8.193 37.394 4.435 1.00 0.00 C ATOM 751 CG GLN A 48 -7.692 36.092 3.794 1.00 0.00 C ATOM 752 CD GLN A 48 -7.269 35.106 4.877 1.00 0.00 C ATOM 753 OE1 GLN A 48 -6.075 34.900 5.100 1.00 0.00 O ATOM 754 NE2 GLN A 48 -8.181 34.487 5.575 1.00 0.00 N ATOM 0 H GLN A 48 -5.443 37.990 3.385 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.360 39.236 5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.753 37.172 5.343 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.875 37.906 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.478 35.654 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.851 36.302 3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.169 34.659 5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.906 33.832 6.306 1.00 0.00 H new ATOM 763 N SER A 49 -6.494 37.700 7.055 1.00 0.00 N ATOM 764 CA SER A 49 -5.720 37.085 8.126 1.00 0.00 C ATOM 765 C SER A 49 -6.032 35.595 8.226 1.00 0.00 C ATOM 766 O SER A 49 -7.037 35.123 7.693 1.00 0.00 O ATOM 767 CB SER A 49 -6.042 37.762 9.459 1.00 0.00 C ATOM 768 OG SER A 49 -7.214 37.179 10.012 1.00 0.00 O ATOM 0 H SER A 49 -7.335 38.187 7.364 1.00 0.00 H new ATOM 0 HA SER A 49 -4.661 37.210 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.206 37.649 10.149 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.190 38.832 9.310 1.00 0.00 H new ATOM 0 HG SER A 49 -7.812 37.887 10.331 1.00 0.00 H new ATOM 774 N SER A 50 -5.167 34.859 8.916 1.00 0.00 N ATOM 775 CA SER A 50 -5.361 33.423 9.089 1.00 0.00 C ATOM 776 C SER A 50 -6.263 33.144 10.283 1.00 0.00 C ATOM 777 O SER A 50 -6.600 31.995 10.562 1.00 0.00 O ATOM 778 CB SER A 50 -4.014 32.733 9.293 1.00 0.00 C ATOM 779 OG SER A 50 -3.414 33.219 10.486 1.00 0.00 O ATOM 0 H SER A 50 -4.329 35.230 9.363 1.00 0.00 H new ATOM 0 HA SER A 50 -5.836 33.031 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.151 31.653 9.355 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.362 32.923 8.441 1.00 0.00 H new ATOM 0 HG SER A 50 -2.550 32.777 10.621 1.00 0.00 H new ATOM 785 N GLU A 51 -6.654 34.206 10.984 1.00 0.00 N ATOM 786 CA GLU A 51 -7.525 34.070 12.154 1.00 0.00 C ATOM 787 C GLU A 51 -8.736 34.976 12.018 1.00 0.00 C ATOM 788 O GLU A 51 -8.797 35.820 11.126 1.00 0.00 O ATOM 789 CB GLU A 51 -6.757 34.431 13.423 1.00 0.00 C ATOM 790 CG GLU A 51 -5.668 33.385 13.673 1.00 0.00 C ATOM 791 CD GLU A 51 -4.838 33.781 14.891 1.00 0.00 C ATOM 792 OE1 GLU A 51 -5.182 34.766 15.523 1.00 0.00 O ATOM 793 OE2 GLU A 51 -3.866 33.096 15.167 1.00 0.00 O1- ATOM 0 H GLU A 51 -6.385 35.165 10.766 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.861 33.035 12.218 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.310 35.420 13.322 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.438 34.474 14.273 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.121 32.407 13.833 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.026 33.299 12.797 1.00 0.00 H new ATOM 800 N PHE A 52 -9.707 34.789 12.903 1.00 0.00 N ATOM 801 CA PHE A 52 -10.934 35.588 12.876 1.00 0.00 C ATOM 802 C PHE A 52 -10.969 36.536 14.067 1.00 0.00 C ATOM 803 O PHE A 52 -10.484 36.222 15.148 1.00 0.00 O ATOM 804 CB PHE A 52 -12.171 34.669 12.914 1.00 0.00 C ATOM 805 CG PHE A 52 -11.746 33.247 12.661 1.00 0.00 C ATOM 806 CD1 PHE A 52 -11.234 32.494 13.707 1.00 0.00 C ATOM 807 CD2 PHE A 52 -11.868 32.704 11.392 1.00 0.00 C ATOM 808 CE1 PHE A 52 -10.835 31.157 13.487 1.00 0.00 C ATOM 809 CE2 PHE A 52 -11.474 31.376 11.154 1.00 0.00 C ATOM 810 CZ PHE A 52 -10.959 30.602 12.205 1.00 0.00 C ATOM 0 H PHE A 52 -9.673 34.094 13.648 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.948 36.168 11.953 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.665 34.746 13.883 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.894 34.983 12.162 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.140 32.930 14.691 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.266 33.302 10.585 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.438 30.567 14.300 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.567 30.952 10.165 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.658 29.580 12.027 1.00 0.00 H new ATOM 820 N PHE A 53 -11.526 37.699 13.840 1.00 0.00 N ATOM 821 CA PHE A 53 -11.618 38.723 14.889 1.00 0.00 C ATOM 822 C PHE A 53 -12.986 38.664 15.586 1.00 0.00 C ATOM 823 O PHE A 53 -13.994 38.354 14.951 1.00 0.00 O ATOM 824 CB PHE A 53 -11.391 40.129 14.313 1.00 0.00 C ATOM 825 CG PHE A 53 -10.500 40.023 13.104 1.00 0.00 C ATOM 826 CD1 PHE A 53 -11.055 39.760 11.849 1.00 0.00 C ATOM 827 CD2 PHE A 53 -9.121 40.187 13.232 1.00 0.00 C ATOM 828 CE1 PHE A 53 -10.239 39.666 10.721 1.00 0.00 C ATOM 829 CE2 PHE A 53 -8.307 40.089 12.106 1.00 0.00 C ATOM 830 CZ PHE A 53 -8.860 39.830 10.850 1.00 0.00 C ATOM 0 H PHE A 53 -11.927 37.975 12.944 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.836 38.516 15.620 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.344 40.583 14.040 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -10.933 40.774 15.063 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -12.123 39.629 11.751 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.686 40.389 14.200 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.673 39.467 9.752 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.239 40.214 12.205 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.222 39.757 9.982 1.00 0.00 H new ATOM 840 N PRO A 54 -13.032 38.959 16.860 1.00 0.00 N ATOM 841 CA PRO A 54 -14.294 38.929 17.647 1.00 0.00 C ATOM 842 C PRO A 54 -15.194 40.119 17.345 1.00 0.00 C ATOM 843 O PRO A 54 -16.325 40.181 17.823 1.00 0.00 O ATOM 844 CB PRO A 54 -13.813 38.956 19.103 1.00 0.00 C ATOM 845 CG PRO A 54 -12.486 39.652 19.067 1.00 0.00 C ATOM 846 CD PRO A 54 -11.883 39.368 17.690 1.00 0.00 C ATOM 0 HA PRO A 54 -14.902 38.056 17.411 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.519 39.488 19.741 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.718 37.947 19.505 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.606 40.724 19.224 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.834 39.285 19.859 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.393 40.252 17.281 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.130 38.581 17.741 1.00 0.00 H new ATOM 854 N THR A 55 -14.677 41.074 16.578 1.00 0.00 N ATOM 855 CA THR A 55 -15.442 42.278 16.240 1.00 0.00 C ATOM 856 C THR A 55 -15.411 42.538 14.739 1.00 0.00 C ATOM 857 O THR A 55 -14.515 42.080 14.036 1.00 0.00 O ATOM 858 CB THR A 55 -14.849 43.483 16.984 1.00 0.00 C ATOM 859 OG1 THR A 55 -14.355 43.072 18.249 1.00 0.00 O ATOM 860 CG2 THR A 55 -15.923 44.553 17.169 1.00 0.00 C ATOM 0 H THR A 55 -13.739 41.042 16.179 1.00 0.00 H new ATOM 0 HA THR A 55 -16.479 42.128 16.541 1.00 0.00 H new ATOM 0 HB THR A 55 -14.028 43.897 16.399 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.976 43.844 18.719 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.499 45.407 17.697 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.288 44.875 16.194 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.750 44.142 17.748 1.00 0.00 H new ATOM 868 N LEU A 56 -16.429 43.237 14.259 1.00 0.00 N ATOM 869 CA LEU A 56 -16.525 43.524 12.836 1.00 0.00 C ATOM 870 C LEU A 56 -15.439 44.519 12.421 1.00 0.00 C ATOM 871 O LEU A 56 -14.587 44.206 11.589 1.00 0.00 O ATOM 872 CB LEU A 56 -17.908 44.104 12.507 1.00 0.00 C ATOM 873 CG LEU A 56 -18.324 43.667 11.100 1.00 0.00 C ATOM 874 CD1 LEU A 56 -19.686 44.253 10.771 1.00 0.00 C ATOM 875 CD2 LEU A 56 -17.293 44.164 10.084 1.00 0.00 C ATOM 0 H LEU A 56 -17.190 43.611 14.825 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.385 42.594 12.285 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.641 43.761 13.237 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -17.882 45.192 12.568 1.00 0.00 H new ATOM 0 HG LEU A 56 -18.377 42.579 11.058 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.983 43.943 9.769 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -20.420 43.897 11.494 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -19.634 45.341 10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.590 43.853 9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.238 45.252 10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.316 43.742 10.321 1.00 0.00 H new ATOM 887 N LYS A 57 -15.506 45.738 12.965 1.00 0.00 N ATOM 888 CA LYS A 57 -14.564 46.773 12.594 1.00 0.00 C ATOM 889 C LYS A 57 -13.137 46.275 12.738 1.00 0.00 C ATOM 890 O LYS A 57 -12.278 46.620 11.929 1.00 0.00 O ATOM 891 CB LYS A 57 -14.768 47.985 13.510 1.00 0.00 C ATOM 892 CG LYS A 57 -16.122 48.640 13.222 1.00 0.00 C ATOM 893 CD LYS A 57 -16.325 49.840 14.154 1.00 0.00 C ATOM 894 CE LYS A 57 -17.633 50.551 13.798 1.00 0.00 C ATOM 895 NZ LYS A 57 -18.785 49.749 14.300 1.00 0.00 N1+ ATOM 0 H LYS A 57 -16.200 46.021 13.657 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.735 47.050 11.554 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.720 47.674 14.554 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.966 48.707 13.355 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.166 48.964 12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.925 47.916 13.365 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.351 49.507 15.192 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.487 50.531 14.062 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.650 51.548 14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.708 50.679 12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.668 50.278 14.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.830 48.846 13.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.662 49.562 15.316 1.00 0.00 H new ATOM 909 N SER A 58 -12.896 45.457 13.751 1.00 0.00 N ATOM 910 CA SER A 58 -11.565 44.914 13.975 1.00 0.00 C ATOM 911 C SER A 58 -11.077 44.173 12.734 1.00 0.00 C ATOM 912 O SER A 58 -9.881 44.167 12.437 1.00 0.00 O ATOM 913 CB SER A 58 -11.585 43.966 15.169 1.00 0.00 C ATOM 914 OG SER A 58 -12.504 42.909 14.919 1.00 0.00 O ATOM 0 H SER A 58 -13.599 45.156 14.426 1.00 0.00 H new ATOM 0 HA SER A 58 -10.882 45.738 14.182 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.588 43.562 15.343 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.872 44.506 16.071 1.00 0.00 H new ATOM 0 HG SER A 58 -13.119 43.173 14.203 1.00 0.00 H new ATOM 920 N ALA A 59 -12.001 43.539 12.020 1.00 0.00 N ATOM 921 CA ALA A 59 -11.645 42.803 10.816 1.00 0.00 C ATOM 922 C ALA A 59 -11.265 43.759 9.692 1.00 0.00 C ATOM 923 O ALA A 59 -10.282 43.542 8.988 1.00 0.00 O ATOM 924 CB ALA A 59 -12.823 41.930 10.378 1.00 0.00 C ATOM 0 H ALA A 59 -12.994 43.521 12.253 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.785 42.171 11.037 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.553 41.380 9.476 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -13.069 41.225 11.172 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -13.687 42.562 10.173 1.00 0.00 H new ATOM 930 N GLU A 60 -12.050 44.818 9.533 1.00 0.00 N ATOM 931 CA GLU A 60 -11.783 45.808 8.492 1.00 0.00 C ATOM 932 C GLU A 60 -10.444 46.493 8.748 1.00 0.00 C ATOM 933 O GLU A 60 -9.645 46.672 7.831 1.00 0.00 O ATOM 934 CB GLU A 60 -12.898 46.854 8.473 1.00 0.00 C ATOM 935 CG GLU A 60 -14.194 46.210 7.980 1.00 0.00 C ATOM 936 CD GLU A 60 -15.335 47.217 8.039 1.00 0.00 C ATOM 937 OE1 GLU A 60 -15.093 48.328 8.484 1.00 0.00 O ATOM 938 OE2 GLU A 60 -16.431 46.870 7.635 1.00 0.00 O1- ATOM 0 H GLU A 60 -12.871 45.014 10.106 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.745 45.302 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.041 47.266 9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.622 47.684 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.066 45.853 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.433 45.341 8.593 1.00 0.00 H new ATOM 945 N HIS A 61 -10.203 46.870 10.000 1.00 0.00 N ATOM 946 CA HIS A 61 -8.952 47.530 10.366 1.00 0.00 C ATOM 947 C HIS A 61 -7.786 46.553 10.248 1.00 0.00 C ATOM 948 O HIS A 61 -6.690 46.925 9.835 1.00 0.00 O ATOM 949 CB HIS A 61 -9.040 48.052 11.799 1.00 0.00 C ATOM 950 CG HIS A 61 -10.323 48.814 11.977 1.00 0.00 C ATOM 951 ND1 HIS A 61 -11.247 48.954 10.953 1.00 0.00 N ATOM 952 CD2 HIS A 61 -10.855 49.479 13.054 1.00 0.00 C ATOM 953 CE1 HIS A 61 -12.275 49.680 11.430 1.00 0.00 C ATOM 954 NE2 HIS A 61 -12.086 50.025 12.706 1.00 0.00 N ATOM 0 H HIS A 61 -10.852 46.731 10.775 1.00 0.00 H new ATOM 0 HA HIS A 61 -8.785 48.366 9.686 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.997 47.221 12.503 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.188 48.697 12.015 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.388 49.565 14.024 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -13.146 49.950 10.852 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -12.711 50.572 13.299 1.00 0.00 H new ATOM 962 N ALA A 62 -8.027 45.300 10.624 1.00 0.00 N ATOM 963 CA ALA A 62 -6.986 44.282 10.561 1.00 0.00 C ATOM 964 C ALA A 62 -6.669 43.924 9.115 1.00 0.00 C ATOM 965 O ALA A 62 -5.511 43.834 8.735 1.00 0.00 O ATOM 966 CB ALA A 62 -7.437 43.025 11.309 1.00 0.00 C ATOM 0 H ALA A 62 -8.926 44.968 10.972 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.087 44.683 11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.653 42.270 11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.633 43.273 12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.347 42.636 10.851 1.00 0.00 H new ATOM 972 N ALA A 63 -7.703 43.717 8.314 1.00 0.00 N ATOM 973 CA ALA A 63 -7.514 43.356 6.911 1.00 0.00 C ATOM 974 C ALA A 63 -6.708 44.428 6.187 1.00 0.00 C ATOM 975 O ALA A 63 -5.705 44.125 5.532 1.00 0.00 O ATOM 976 CB ALA A 63 -8.879 43.200 6.230 1.00 0.00 C ATOM 0 H ALA A 63 -8.678 43.791 8.606 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.969 42.413 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.735 42.931 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.448 42.417 6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.425 44.141 6.291 1.00 0.00 H new ATOM 982 N ALA A 64 -7.130 45.681 6.327 1.00 0.00 N ATOM 983 CA ALA A 64 -6.424 46.784 5.689 1.00 0.00 C ATOM 984 C ALA A 64 -4.985 46.841 6.184 1.00 0.00 C ATOM 985 O ALA A 64 -4.080 47.185 5.433 1.00 0.00 O ATOM 986 CB ALA A 64 -7.129 48.104 6.009 1.00 0.00 C ATOM 0 H ALA A 64 -7.948 45.955 6.871 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.424 46.626 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.597 48.926 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.153 48.069 5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.139 48.259 7.088 1.00 0.00 H new ATOM 992 N LYS A 65 -4.782 46.514 7.454 1.00 0.00 N ATOM 993 CA LYS A 65 -3.444 46.546 8.037 1.00 0.00 C ATOM 994 C LYS A 65 -2.515 45.622 7.258 1.00 0.00 C ATOM 995 O LYS A 65 -1.391 45.997 6.935 1.00 0.00 O ATOM 996 CB LYS A 65 -3.499 46.083 9.496 1.00 0.00 C ATOM 997 CG LYS A 65 -2.158 46.359 10.174 1.00 0.00 C ATOM 998 CD LYS A 65 -2.240 45.965 11.650 1.00 0.00 C ATOM 999 CE LYS A 65 -0.899 46.255 12.329 1.00 0.00 C ATOM 1000 NZ LYS A 65 -0.622 47.718 12.275 1.00 0.00 N1+ ATOM 0 H LYS A 65 -5.519 46.226 8.097 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.067 47.568 7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.298 46.604 10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.728 45.018 9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.366 45.796 9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.903 47.415 10.082 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.037 46.521 12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.486 44.907 11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.923 45.916 13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.101 45.704 11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.093 47.963 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.268 47.970 11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.498 48.245 12.468 1.00 0.00 H new ATOM 1014 N ILE A 66 -2.992 44.416 6.943 1.00 0.00 N ATOM 1015 CA ILE A 66 -2.175 43.464 6.206 1.00 0.00 C ATOM 1016 C ILE A 66 -1.725 44.070 4.879 1.00 0.00 C ATOM 1017 O ILE A 66 -0.569 43.923 4.483 1.00 0.00 O ATOM 1018 CB ILE A 66 -2.989 42.190 5.942 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -3.527 41.644 7.270 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -2.098 41.129 5.293 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -4.548 40.540 6.996 1.00 0.00 C ATOM 0 H ILE A 66 -3.926 44.084 7.184 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.293 43.219 6.798 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.817 42.429 5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.707 41.253 7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.990 42.447 7.844 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.682 40.227 5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.709 41.509 4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.268 40.894 5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.929 40.154 7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.374 40.945 6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.071 39.733 6.440 1.00 0.00 H new ATOM 1033 N ALA A 67 -2.647 44.729 4.195 1.00 0.00 N ATOM 1034 CA ALA A 67 -2.333 45.339 2.906 1.00 0.00 C ATOM 1035 C ALA A 67 -1.450 46.567 3.102 1.00 0.00 C ATOM 1036 O ALA A 67 -0.455 46.748 2.402 1.00 0.00 O ATOM 1037 CB ALA A 67 -3.618 45.736 2.183 1.00 0.00 C ATOM 0 H ALA A 67 -3.611 44.856 4.504 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.795 44.610 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.370 46.190 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.231 44.850 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.171 46.452 2.791 1.00 0.00 H new ATOM 1043 N VAL A 68 -1.822 47.408 4.057 1.00 0.00 N ATOM 1044 CA VAL A 68 -1.067 48.621 4.330 1.00 0.00 C ATOM 1045 C VAL A 68 0.380 48.275 4.654 1.00 0.00 C ATOM 1046 O VAL A 68 1.301 48.946 4.186 1.00 0.00 O ATOM 1047 CB VAL A 68 -1.696 49.371 5.516 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -0.699 50.391 6.076 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -2.960 50.101 5.051 1.00 0.00 C ATOM 0 H VAL A 68 -2.639 47.273 4.653 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.092 49.258 3.446 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.953 48.653 6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.151 50.919 6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.199 49.874 6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.435 51.107 5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.404 50.632 5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.701 50.814 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.675 49.377 4.660 1.00 0.00 H new ATOM 1059 N ALA A 69 0.576 47.238 5.459 1.00 0.00 N ATOM 1060 CA ALA A 69 1.924 46.829 5.831 1.00 0.00 C ATOM 1061 C ALA A 69 2.655 46.237 4.632 1.00 0.00 C ATOM 1062 O ALA A 69 3.885 46.194 4.604 1.00 0.00 O ATOM 1063 CB ALA A 69 1.873 45.807 6.968 1.00 0.00 C ATOM 0 H ALA A 69 -0.170 46.672 5.862 1.00 0.00 H new ATOM 0 HA ALA A 69 2.468 47.710 6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.887 45.510 7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.384 46.251 7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.312 44.930 6.644 1.00 0.00 H new ATOM 1069 N SER A 70 1.890 45.770 3.655 1.00 0.00 N ATOM 1070 CA SER A 70 2.475 45.180 2.457 1.00 0.00 C ATOM 1071 C SER A 70 3.067 46.267 1.565 1.00 0.00 C ATOM 1072 O SER A 70 4.158 46.110 1.016 1.00 0.00 O ATOM 1073 CB SER A 70 1.414 44.396 1.686 1.00 0.00 C ATOM 1074 OG SER A 70 2.055 43.515 0.773 1.00 0.00 O ATOM 0 H SER A 70 0.870 45.787 3.667 1.00 0.00 H new ATOM 0 HA SER A 70 3.272 44.500 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.789 43.831 2.377 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.757 45.081 1.149 1.00 0.00 H new ATOM 0 HG SER A 70 1.378 43.009 0.277 1.00 0.00 H new ATOM 1080 N LEU A 71 2.333 47.366 1.419 1.00 0.00 N ATOM 1081 CA LEU A 71 2.789 48.473 0.586 1.00 0.00 C ATOM 1082 C LEU A 71 3.983 49.166 1.221 1.00 0.00 C ATOM 1083 O LEU A 71 4.821 49.740 0.528 1.00 0.00 O ATOM 1084 CB LEU A 71 1.652 49.481 0.391 1.00 0.00 C ATOM 1085 CG LEU A 71 0.450 48.781 -0.251 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -0.708 49.772 -0.381 1.00 0.00 C ATOM 1087 CD2 LEU A 71 0.836 48.255 -1.643 1.00 0.00 C ATOM 0 H LEU A 71 1.427 47.513 1.863 1.00 0.00 H new ATOM 0 HA LEU A 71 3.091 48.074 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.365 49.911 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.986 50.304 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 71 0.144 47.944 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.563 49.274 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.986 50.138 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.401 50.611 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.022 47.758 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.147 49.088 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.658 47.545 -1.549 1.00 0.00 H new ATOM 1248 N TYR A 83 15.296 62.030 10.155 1.00 0.00 N ATOM 1249 CA TYR A 83 14.428 63.136 9.737 1.00 0.00 C ATOM 1250 C TYR A 83 14.904 63.698 8.397 1.00 0.00 C ATOM 1251 O TYR A 83 14.192 64.435 7.727 1.00 0.00 O ATOM 1252 CB TYR A 83 14.441 64.257 10.803 1.00 0.00 C ATOM 1253 CG TYR A 83 14.942 63.702 12.117 1.00 0.00 C ATOM 1254 CD1 TYR A 83 14.287 62.618 12.714 1.00 0.00 C ATOM 1255 CD2 TYR A 83 16.066 64.267 12.731 1.00 0.00 C ATOM 1256 CE1 TYR A 83 14.755 62.104 13.927 1.00 0.00 C ATOM 1257 CE2 TYR A 83 16.533 63.753 13.941 1.00 0.00 C ATOM 1258 CZ TYR A 83 15.877 62.672 14.543 1.00 0.00 C ATOM 1259 OH TYR A 83 16.338 62.165 15.740 1.00 0.00 O ATOM 0 HA TYR A 83 13.411 62.759 9.628 1.00 0.00 H new ATOM 0 HB2 TYR A 83 15.081 65.077 10.475 1.00 0.00 H new ATOM 0 HB3 TYR A 83 13.438 64.665 10.928 1.00 0.00 H new ATOM 0 HD1 TYR A 83 13.422 62.180 12.238 1.00 0.00 H new ATOM 0 HD2 TYR A 83 16.572 65.101 12.268 1.00 0.00 H new ATOM 0 HE1 TYR A 83 14.251 61.268 14.389 1.00 0.00 H new ATOM 0 HE2 TYR A 83 17.401 64.189 14.414 1.00 0.00 H new ATOM 0 HH TYR A 83 17.243 62.500 15.910 1.00 0.00 H new ATOM 1269 N LYS A 84 16.112 63.328 8.016 1.00 0.00 N ATOM 1270 CA LYS A 84 16.682 63.781 6.748 1.00 0.00 C ATOM 1271 C LYS A 84 15.816 63.309 5.583 1.00 0.00 C ATOM 1272 O LYS A 84 15.720 63.966 4.548 1.00 0.00 O ATOM 1273 CB LYS A 84 18.106 63.254 6.580 1.00 0.00 C ATOM 1274 CG LYS A 84 19.017 63.918 7.612 1.00 0.00 C ATOM 1275 CD LYS A 84 20.445 63.406 7.430 1.00 0.00 C ATOM 1276 CE LYS A 84 21.371 64.114 8.421 1.00 0.00 C ATOM 1277 NZ LYS A 84 20.967 63.768 9.813 1.00 0.00 N1+ ATOM 0 H LYS A 84 16.721 62.717 8.560 1.00 0.00 H new ATOM 0 HA LYS A 84 16.710 64.871 6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 84 18.122 62.172 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.466 63.462 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.989 65.001 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.665 63.697 8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.479 62.328 7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 84 20.780 63.588 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 84 22.405 63.816 8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 84 21.322 65.193 8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 21.742 63.999 10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.120 64.312 10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.757 62.751 9.871 1.00 0.00 H new ATOM 1291 N ASN A 85 15.175 62.159 5.770 1.00 0.00 N ATOM 1292 CA ASN A 85 14.308 61.614 4.721 1.00 0.00 C ATOM 1293 C ASN A 85 12.984 62.369 4.670 1.00 0.00 C ATOM 1294 O ASN A 85 12.564 62.825 3.610 1.00 0.00 O ATOM 1295 CB ASN A 85 14.042 60.130 4.983 1.00 0.00 C ATOM 1296 CG ASN A 85 12.552 59.836 4.844 1.00 0.00 C ATOM 1297 OD1 ASN A 85 11.779 60.087 5.768 1.00 0.00 O ATOM 1298 ND2 ASN A 85 12.100 59.315 3.736 1.00 0.00 N ATOM 0 H ASN A 85 15.234 61.594 6.617 1.00 0.00 H new ATOM 0 HA ASN A 85 14.814 61.730 3.763 1.00 0.00 H new ATOM 0 HB2 ASN A 85 14.609 59.520 4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 85 14.382 59.862 5.983 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.105 59.115 3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.742 59.108 2.971 1.00 0.00 H new ATOM 1305 N LEU A 86 12.326 62.487 5.819 1.00 0.00 N ATOM 1306 CA LEU A 86 11.047 63.185 5.881 1.00 0.00 C ATOM 1307 C LEU A 86 11.210 64.663 5.567 1.00 0.00 C ATOM 1308 O LEU A 86 10.448 65.229 4.785 1.00 0.00 O ATOM 1309 CB LEU A 86 10.438 63.018 7.279 1.00 0.00 C ATOM 1310 CG LEU A 86 9.838 61.608 7.416 1.00 0.00 C ATOM 1311 CD1 LEU A 86 10.925 60.625 7.876 1.00 0.00 C ATOM 1312 CD2 LEU A 86 8.711 61.631 8.456 1.00 0.00 C ATOM 0 H LEU A 86 12.652 62.113 6.710 1.00 0.00 H new ATOM 0 HA LEU A 86 10.384 62.750 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.202 63.175 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.666 63.770 7.443 1.00 0.00 H new ATOM 0 HG LEU A 86 9.444 61.291 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.496 59.627 7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.731 60.605 7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.320 60.944 8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.285 60.632 8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.111 61.951 9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.935 62.326 8.136 1.00 0.00 H new ATOM 1324 N LEU A 87 12.211 65.278 6.170 1.00 0.00 N ATOM 1325 CA LEU A 87 12.467 66.691 5.942 1.00 0.00 C ATOM 1326 C LEU A 87 12.641 66.948 4.452 1.00 0.00 C ATOM 1327 O LEU A 87 12.269 68.010 3.948 1.00 0.00 O ATOM 1328 CB LEU A 87 13.720 67.121 6.701 1.00 0.00 C ATOM 1329 CG LEU A 87 13.423 67.158 8.204 1.00 0.00 C ATOM 1330 CD1 LEU A 87 14.729 67.335 8.978 1.00 0.00 C ATOM 1331 CD2 LEU A 87 12.471 68.326 8.523 1.00 0.00 C ATOM 0 H LEU A 87 12.857 64.826 6.817 1.00 0.00 H new ATOM 0 HA LEU A 87 11.620 67.273 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 87 14.536 66.428 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 87 14.045 68.104 6.360 1.00 0.00 H new ATOM 0 HG LEU A 87 12.949 66.222 8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.518 67.361 10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.397 66.501 8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 87 15.205 68.269 8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.265 68.345 9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.936 69.266 8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.537 68.194 7.976 1.00 0.00 H new ATOM 1343 N GLN A 88 13.209 65.975 3.748 1.00 0.00 N ATOM 1344 CA GLN A 88 13.405 66.104 2.311 1.00 0.00 C ATOM 1345 C GLN A 88 12.085 65.876 1.576 1.00 0.00 C ATOM 1346 O GLN A 88 11.858 66.451 0.506 1.00 0.00 O ATOM 1347 CB GLN A 88 14.434 65.078 1.833 1.00 0.00 C ATOM 1348 CG GLN A 88 15.836 65.519 2.264 1.00 0.00 C ATOM 1349 CD GLN A 88 16.349 66.611 1.332 1.00 0.00 C ATOM 1350 OE1 GLN A 88 16.968 67.574 1.785 1.00 0.00 O ATOM 1351 NE2 GLN A 88 16.124 66.521 0.049 1.00 0.00 N ATOM 0 H GLN A 88 13.539 65.096 4.146 1.00 0.00 H new ATOM 0 HA GLN A 88 13.766 67.110 2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.206 64.097 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.389 64.981 0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.811 65.887 3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.515 64.667 2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.611 65.722 -0.324 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.461 67.249 -0.580 1.00 0.00 H new ATOM 1360 N GLU A 89 11.217 65.029 2.156 1.00 0.00 N ATOM 1361 CA GLU A 89 9.932 64.746 1.528 1.00 0.00 C ATOM 1362 C GLU A 89 9.071 66.003 1.454 1.00 0.00 C ATOM 1363 O GLU A 89 8.440 66.272 0.432 1.00 0.00 O ATOM 1364 CB GLU A 89 9.208 63.666 2.330 1.00 0.00 C ATOM 1365 CG GLU A 89 9.858 62.307 2.065 1.00 0.00 C ATOM 1366 CD GLU A 89 9.471 61.325 3.163 1.00 0.00 C ATOM 1367 OE1 GLU A 89 8.637 61.677 3.976 1.00 0.00 O ATOM 1368 OE2 GLU A 89 10.023 60.244 3.180 1.00 0.00 O1- ATOM 0 H GLU A 89 11.383 64.543 3.037 1.00 0.00 H new ATOM 0 HA GLU A 89 10.108 64.397 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.250 63.899 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.155 63.637 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.540 61.925 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.942 62.414 2.026 1.00 0.00 H new ATOM 1375 N ILE A 90 9.061 66.769 2.535 1.00 0.00 N ATOM 1376 CA ILE A 90 8.283 68.002 2.580 1.00 0.00 C ATOM 1377 C ILE A 90 8.895 69.049 1.655 1.00 0.00 C ATOM 1378 O ILE A 90 8.183 69.786 0.986 1.00 0.00 O ATOM 1379 CB ILE A 90 8.223 68.532 4.015 1.00 0.00 C ATOM 1380 CG1 ILE A 90 9.640 68.639 4.577 1.00 0.00 C ATOM 1381 CG2 ILE A 90 7.402 67.574 4.881 1.00 0.00 C ATOM 1382 CD1 ILE A 90 9.591 69.236 5.982 1.00 0.00 C ATOM 0 H ILE A 90 9.579 66.562 3.389 1.00 0.00 H new ATOM 0 HA ILE A 90 7.269 67.790 2.240 1.00 0.00 H new ATOM 0 HB ILE A 90 7.754 69.516 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.106 67.654 4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 90 10.254 69.263 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.360 67.952 5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.391 67.497 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.869 66.589 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.603 69.311 6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.143 70.229 5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.993 68.595 6.629 1.00 0.00 H new ATOM 1394 N ALA A 91 10.219 69.120 1.644 1.00 0.00 N ATOM 1395 CA ALA A 91 10.916 70.092 0.813 1.00 0.00 C ATOM 1396 C ALA A 91 10.543 69.896 -0.650 1.00 0.00 C ATOM 1397 O ALA A 91 10.176 70.845 -1.341 1.00 0.00 O ATOM 1398 CB ALA A 91 12.429 69.939 0.983 1.00 0.00 C ATOM 0 H ALA A 91 10.829 68.519 2.198 1.00 0.00 H new ATOM 0 HA ALA A 91 10.620 71.093 1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.941 70.670 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.696 70.104 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.729 68.934 0.686 1.00 0.00 H new ATOM 1404 N GLN A 92 10.645 68.657 -1.118 1.00 0.00 N ATOM 1405 CA GLN A 92 10.316 68.348 -2.504 1.00 0.00 C ATOM 1406 C GLN A 92 8.812 68.438 -2.734 1.00 0.00 C ATOM 1407 O GLN A 92 8.362 68.976 -3.747 1.00 0.00 O ATOM 1408 CB GLN A 92 10.803 66.938 -2.854 1.00 0.00 C ATOM 1409 CG GLN A 92 12.331 66.891 -2.781 1.00 0.00 C ATOM 1410 CD GLN A 92 12.935 67.755 -3.882 1.00 0.00 C ATOM 1411 OE1 GLN A 92 13.254 68.921 -3.655 1.00 0.00 O ATOM 1412 NE2 GLN A 92 13.107 67.249 -5.075 1.00 0.00 N ATOM 0 H GLN A 92 10.950 67.857 -0.564 1.00 0.00 H new ATOM 0 HA GLN A 92 10.813 69.076 -3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.373 66.212 -2.164 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.468 66.664 -3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.667 67.243 -1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.676 65.862 -2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.842 66.282 -5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.506 67.821 -5.819 1.00 0.00 H new ATOM 1421 N LYS A 93 8.038 67.891 -1.799 1.00 0.00 N ATOM 1422 CA LYS A 93 6.587 67.903 -1.931 1.00 0.00 C ATOM 1423 C LYS A 93 6.057 69.333 -1.947 1.00 0.00 C ATOM 1424 O LYS A 93 5.326 69.720 -2.857 1.00 0.00 O ATOM 1425 CB LYS A 93 5.958 67.141 -0.760 1.00 0.00 C ATOM 1426 CG LYS A 93 4.444 67.060 -0.955 1.00 0.00 C ATOM 1427 CD LYS A 93 3.827 66.225 0.169 1.00 0.00 C ATOM 1428 CE LYS A 93 2.314 66.133 -0.038 1.00 0.00 C ATOM 1429 NZ LYS A 93 2.030 65.451 -1.332 1.00 0.00 N1+ ATOM 0 H LYS A 93 8.387 67.440 -0.953 1.00 0.00 H new ATOM 0 HA LYS A 93 6.322 67.421 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.381 66.138 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.187 67.644 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.013 68.061 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.215 66.613 -1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.265 65.227 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.046 66.678 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.857 65.582 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.875 67.131 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.265 64.760 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.741 66.156 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.886 64.961 -1.661 1.00 0.00 H new ATOM 1443 N GLU A 94 6.437 70.110 -0.944 1.00 0.00 N ATOM 1444 CA GLU A 94 5.996 71.498 -0.856 1.00 0.00 C ATOM 1445 C GLU A 94 6.758 72.361 -1.857 1.00 0.00 C ATOM 1446 O GLU A 94 6.519 73.564 -1.960 1.00 0.00 O ATOM 1447 CB GLU A 94 6.224 72.034 0.558 1.00 0.00 C ATOM 1448 CG GLU A 94 5.342 71.260 1.543 1.00 0.00 C ATOM 1449 CD GLU A 94 5.627 71.720 2.969 1.00 0.00 C ATOM 1450 OE1 GLU A 94 6.508 72.546 3.138 1.00 0.00 O ATOM 1451 OE2 GLU A 94 4.957 71.242 3.869 1.00 0.00 O1- ATOM 0 H GLU A 94 7.046 69.808 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 94 4.932 71.537 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.274 71.930 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.987 73.097 0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.290 71.418 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.532 70.191 1.452 1.00 0.00 H new ATOM 1458 N SER A 95 7.676 71.739 -2.589 1.00 0.00 N ATOM 1459 CA SER A 95 8.469 72.459 -3.578 1.00 0.00 C ATOM 1460 C SER A 95 9.371 73.487 -2.901 1.00 0.00 C ATOM 1461 O SER A 95 9.936 74.358 -3.560 1.00 0.00 O ATOM 1462 CB SER A 95 7.545 73.162 -4.575 1.00 0.00 C ATOM 1463 OG SER A 95 6.445 72.312 -4.873 1.00 0.00 O ATOM 0 H SER A 95 7.888 70.744 -2.517 1.00 0.00 H new ATOM 0 HA SER A 95 9.095 71.740 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.189 74.104 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.091 73.403 -5.487 1.00 0.00 H new ATOM 0 HG SER A 95 5.849 72.759 -5.510 1.00 0.00 H new ATOM 1469 N SER A 96 9.503 73.374 -1.585 1.00 0.00 N ATOM 1470 CA SER A 96 10.342 74.295 -0.828 1.00 0.00 C ATOM 1471 C SER A 96 11.812 73.911 -0.968 1.00 0.00 C ATOM 1472 O SER A 96 12.142 72.750 -1.216 1.00 0.00 O ATOM 1473 CB SER A 96 9.944 74.275 0.647 1.00 0.00 C ATOM 1474 OG SER A 96 8.730 74.995 0.815 1.00 0.00 O ATOM 0 H SER A 96 9.043 72.658 -1.022 1.00 0.00 H new ATOM 0 HA SER A 96 10.199 75.300 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.821 73.247 0.989 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.732 74.721 1.254 1.00 0.00 H new ATOM 0 HG SER A 96 8.471 74.983 1.760 1.00 0.00 H new ATOM 1480 N LEU A 97 12.690 74.895 -0.810 1.00 0.00 N ATOM 1481 CA LEU A 97 14.116 74.649 -0.924 1.00 0.00 C ATOM 1482 C LEU A 97 14.589 73.698 0.171 1.00 0.00 C ATOM 1483 O LEU A 97 14.190 73.827 1.327 1.00 0.00 O ATOM 1484 CB LEU A 97 14.891 75.969 -0.820 1.00 0.00 C ATOM 1485 CG LEU A 97 16.397 75.703 -0.943 1.00 0.00 C ATOM 1486 CD1 LEU A 97 16.693 74.997 -2.276 1.00 0.00 C ATOM 1487 CD2 LEU A 97 17.153 77.031 -0.892 1.00 0.00 C ATOM 0 H LEU A 97 12.439 75.862 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 97 14.304 74.192 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 97 14.569 76.653 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 97 14.675 76.453 0.132 1.00 0.00 H new ATOM 0 HG LEU A 97 16.719 75.066 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 97 17.764 74.810 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 97 16.155 74.050 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 97 16.370 75.630 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 97 18.223 76.844 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 97 16.827 77.667 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 97 16.948 77.530 0.055 1.00 0.00 H new ATOM 1499 N LEU A 98 15.439 72.744 -0.201 1.00 0.00 N ATOM 1500 CA LEU A 98 15.942 71.779 0.757 1.00 0.00 C ATOM 1501 C LEU A 98 16.325 72.466 2.070 1.00 0.00 C ATOM 1502 O LEU A 98 16.687 73.643 2.082 1.00 0.00 O ATOM 1503 CB LEU A 98 17.175 71.061 0.178 1.00 0.00 C ATOM 1504 CG LEU A 98 16.725 69.900 -0.711 1.00 0.00 C ATOM 1505 CD1 LEU A 98 15.792 70.427 -1.800 1.00 0.00 C ATOM 1506 CD2 LEU A 98 17.947 69.247 -1.356 1.00 0.00 C ATOM 0 H LEU A 98 15.788 72.624 -1.152 1.00 0.00 H new ATOM 0 HA LEU A 98 15.154 71.053 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 98 17.778 71.762 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 98 17.805 70.690 0.987 1.00 0.00 H new ATOM 0 HG LEU A 98 16.198 69.162 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.470 69.601 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.920 70.891 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 98 16.319 71.165 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.626 68.420 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.476 69.983 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.612 68.871 -0.578 1.00 0.00 H new ATOM 1518 N PRO A 99 16.262 71.747 3.159 1.00 0.00 N ATOM 1519 CA PRO A 99 16.613 72.280 4.504 1.00 0.00 C ATOM 1520 C PRO A 99 18.106 72.552 4.639 1.00 0.00 C ATOM 1521 O PRO A 99 18.892 72.210 3.755 1.00 0.00 O ATOM 1522 CB PRO A 99 16.154 71.178 5.470 1.00 0.00 C ATOM 1523 CG PRO A 99 16.179 69.922 4.661 1.00 0.00 C ATOM 1524 CD PRO A 99 15.844 70.332 3.232 1.00 0.00 C ATOM 0 HA PRO A 99 16.137 73.240 4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.818 71.106 6.331 1.00 0.00 H new ATOM 0 HB3 PRO A 99 15.154 71.381 5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.158 69.446 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.455 69.200 5.039 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.378 69.720 2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.780 70.219 3.023 1.00 0.00 H new ATOM 1532 N PHE A 100 18.494 73.137 5.769 1.00 0.00 N ATOM 1533 CA PHE A 100 19.910 73.410 6.028 1.00 0.00 C ATOM 1534 C PHE A 100 20.260 73.055 7.465 1.00 0.00 C ATOM 1535 O PHE A 100 19.810 73.705 8.407 1.00 0.00 O ATOM 1536 CB PHE A 100 20.205 74.884 5.776 1.00 0.00 C ATOM 1537 CG PHE A 100 21.693 75.092 5.677 1.00 0.00 C ATOM 1538 CD1 PHE A 100 22.345 74.886 4.459 1.00 0.00 C ATOM 1539 CD2 PHE A 100 22.419 75.488 6.805 1.00 0.00 C ATOM 1540 CE1 PHE A 100 23.727 75.078 4.364 1.00 0.00 C ATOM 1541 CE2 PHE A 100 23.801 75.680 6.713 1.00 0.00 C ATOM 1542 CZ PHE A 100 24.456 75.475 5.493 1.00 0.00 C ATOM 0 H PHE A 100 17.860 73.429 6.513 1.00 0.00 H new ATOM 0 HA PHE A 100 20.515 72.800 5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 100 19.720 75.210 4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 100 19.796 75.490 6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 100 21.782 74.578 3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 100 21.913 75.645 7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 100 24.232 74.921 3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 100 24.363 75.986 7.583 1.00 0.00 H new ATOM 0 HZ PHE A 100 25.523 75.623 5.422 1.00 0.00 H new ATOM 1552 N TYR A 101 21.058 71.999 7.637 1.00 0.00 N ATOM 1553 CA TYR A 101 21.436 71.551 8.974 1.00 0.00 C ATOM 1554 C TYR A 101 22.742 72.206 9.413 1.00 0.00 C ATOM 1555 O TYR A 101 23.755 72.122 8.721 1.00 0.00 O ATOM 1556 CB TYR A 101 21.617 70.029 8.977 1.00 0.00 C ATOM 1557 CG TYR A 101 20.350 69.374 8.486 1.00 0.00 C ATOM 1558 CD1 TYR A 101 19.302 69.115 9.377 1.00 0.00 C ATOM 1559 CD2 TYR A 101 20.222 69.025 7.136 1.00 0.00 C ATOM 1560 CE1 TYR A 101 18.128 68.505 8.918 1.00 0.00 C ATOM 1561 CE2 TYR A 101 19.047 68.419 6.676 1.00 0.00 C ATOM 1562 CZ TYR A 101 18.000 68.159 7.568 1.00 0.00 C ATOM 1563 OH TYR A 101 16.842 67.562 7.113 1.00 0.00 O ATOM 0 H TYR A 101 21.450 71.445 6.875 1.00 0.00 H new ATOM 0 HA TYR A 101 20.644 71.835 9.667 1.00 0.00 H new ATOM 0 HB2 TYR A 101 22.455 69.750 8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 101 21.853 69.682 9.983 1.00 0.00 H new ATOM 0 HD1 TYR A 101 19.399 69.386 10.418 1.00 0.00 H new ATOM 0 HD2 TYR A 101 21.031 69.224 6.449 1.00 0.00 H new ATOM 0 HE1 TYR A 101 17.321 68.301 9.606 1.00 0.00 H new ATOM 0 HE2 TYR A 101 18.948 68.152 5.634 1.00 0.00 H new ATOM 0 HH TYR A 101 16.919 67.389 6.151 1.00 0.00 H new ATOM 1573 N ALA A 102 22.710 72.858 10.571 1.00 0.00 N ATOM 1574 CA ALA A 102 23.898 73.523 11.105 1.00 0.00 C ATOM 1575 C ALA A 102 24.076 73.179 12.573 1.00 0.00 C ATOM 1576 O ALA A 102 23.137 73.283 13.363 1.00 0.00 O ATOM 1577 CB ALA A 102 23.763 75.039 10.947 1.00 0.00 C ATOM 0 H ALA A 102 21.879 72.941 11.157 1.00 0.00 H new ATOM 0 HA ALA A 102 24.770 73.178 10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 102 24.652 75.527 11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 102 23.657 75.287 9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 102 22.884 75.385 11.490 1.00 0.00 H new ATOM 1583 N THR A 103 25.288 72.768 12.937 1.00 0.00 N ATOM 1584 CA THR A 103 25.589 72.403 14.323 1.00 0.00 C ATOM 1585 C THR A 103 26.725 73.259 14.861 1.00 0.00 C ATOM 1586 O THR A 103 27.751 73.430 14.201 1.00 0.00 O ATOM 1587 CB THR A 103 25.973 70.928 14.405 1.00 0.00 C ATOM 1588 OG1 THR A 103 24.869 70.133 13.999 1.00 0.00 O ATOM 1589 CG2 THR A 103 26.355 70.581 15.845 1.00 0.00 C ATOM 0 H THR A 103 26.076 72.679 12.296 1.00 0.00 H new ATOM 0 HA THR A 103 24.699 72.576 14.928 1.00 0.00 H new ATOM 0 HB THR A 103 26.822 70.732 13.750 1.00 0.00 H new ATOM 0 HG1 THR A 103 24.172 70.166 14.687 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.629 69.528 15.905 1.00 0.00 H new ATOM 0 HG22 THR A 103 27.201 71.195 16.155 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.507 70.773 16.503 1.00 0.00 H new ATOM 1597 N ALA A 104 26.537 73.800 16.063 1.00 0.00 N ATOM 1598 CA ALA A 104 27.560 74.645 16.685 1.00 0.00 C ATOM 1599 C ALA A 104 27.881 74.145 18.089 1.00 0.00 C ATOM 1600 O ALA A 104 27.023 73.578 18.764 1.00 0.00 O ATOM 1601 CB ALA A 104 27.064 76.087 16.756 1.00 0.00 C ATOM 0 H ALA A 104 25.694 73.671 16.623 1.00 0.00 H new ATOM 0 HA ALA A 104 28.465 74.600 16.080 1.00 0.00 H new ATOM 0 HB1 ALA A 104 27.828 76.712 17.219 1.00 0.00 H new ATOM 0 HB2 ALA A 104 26.859 76.451 15.749 1.00 0.00 H new ATOM 0 HB3 ALA A 104 26.151 76.129 17.350 1.00 0.00 H new ATOM 1607 N THR A 105 29.121 74.364 18.534 1.00 0.00 N ATOM 1608 CA THR A 105 29.543 73.945 19.860 1.00 0.00 C ATOM 1609 C THR A 105 29.695 75.158 20.772 1.00 0.00 C ATOM 1610 O THR A 105 30.242 76.189 20.373 1.00 0.00 O ATOM 1611 CB THR A 105 30.870 73.211 19.761 1.00 0.00 C ATOM 1612 OG1 THR A 105 31.916 74.131 19.495 1.00 0.00 O ATOM 1613 CG2 THR A 105 30.803 72.166 18.648 1.00 0.00 C ATOM 0 H THR A 105 29.847 74.830 17.989 1.00 0.00 H new ATOM 0 HA THR A 105 28.788 73.280 20.280 1.00 0.00 H new ATOM 0 HB THR A 105 31.070 72.712 20.709 1.00 0.00 H new ATOM 0 HG1 THR A 105 32.768 73.650 19.435 1.00 0.00 H new ATOM 0 HG21 THR A 105 31.757 71.643 18.582 1.00 0.00 H new ATOM 0 HG22 THR A 105 30.011 71.450 18.868 1.00 0.00 H new ATOM 0 HG23 THR A 105 30.593 72.659 17.699 1.00 0.00 H new ATOM 1621 N SER A 106 29.202 75.032 21.999 1.00 0.00 N ATOM 1622 CA SER A 106 29.287 76.123 22.961 1.00 0.00 C ATOM 1623 C SER A 106 29.118 75.597 24.378 1.00 0.00 C ATOM 1624 O SER A 106 28.631 74.484 24.582 1.00 0.00 O ATOM 1625 CB SER A 106 28.206 77.163 22.671 1.00 0.00 C ATOM 1626 OG SER A 106 28.426 77.720 21.382 1.00 0.00 O ATOM 0 H SER A 106 28.742 74.191 22.349 1.00 0.00 H new ATOM 0 HA SER A 106 30.269 76.587 22.870 1.00 0.00 H new ATOM 0 HB2 SER A 106 27.219 76.702 22.717 1.00 0.00 H new ATOM 0 HB3 SER A 106 28.227 77.947 23.428 1.00 0.00 H new ATOM 0 HG SER A 106 29.291 77.414 21.037 1.00 0.00 H new ATOM 1632 N GLY A 107 29.519 76.404 25.359 1.00 0.00 N ATOM 1633 CA GLY A 107 29.406 76.014 26.761 1.00 0.00 C ATOM 1634 C GLY A 107 30.768 76.017 27.437 1.00 0.00 C ATOM 1635 O GLY A 107 31.790 76.284 26.809 1.00 0.00 O ATOM 0 H GLY A 107 29.923 77.328 25.209 1.00 0.00 H new ATOM 0 HA2 GLY A 107 28.736 76.700 27.280 1.00 0.00 H new ATOM 0 HA3 GLY A 107 28.963 75.021 26.832 1.00 0.00 H new ATOM 1639 N PRO A 108 30.797 75.720 28.703 1.00 0.00 N ATOM 1640 CA PRO A 108 32.063 75.682 29.498 1.00 0.00 C ATOM 1641 C PRO A 108 33.058 74.661 28.952 1.00 0.00 C ATOM 1642 O PRO A 108 32.669 73.626 28.416 1.00 0.00 O ATOM 1643 CB PRO A 108 31.598 75.286 30.916 1.00 0.00 C ATOM 1644 CG PRO A 108 30.244 74.694 30.737 1.00 0.00 C ATOM 1645 CD PRO A 108 29.628 75.383 29.531 1.00 0.00 C ATOM 0 HA PRO A 108 32.589 76.636 29.467 1.00 0.00 H new ATOM 0 HB2 PRO A 108 32.283 74.569 31.368 1.00 0.00 H new ATOM 0 HB3 PRO A 108 31.563 76.154 31.575 1.00 0.00 H new ATOM 0 HG2 PRO A 108 30.309 73.618 30.578 1.00 0.00 H new ATOM 0 HG3 PRO A 108 29.633 74.848 31.626 1.00 0.00 H new ATOM 0 HD2 PRO A 108 28.936 74.727 29.003 1.00 0.00 H new ATOM 0 HD3 PRO A 108 29.068 76.273 29.818 1.00 0.00 H new ATOM 1653 N SER A 109 34.344 74.958 29.110 1.00 0.00 N ATOM 1654 CA SER A 109 35.387 74.055 28.644 1.00 0.00 C ATOM 1655 C SER A 109 35.311 72.730 29.394 1.00 0.00 C ATOM 1656 O SER A 109 35.885 71.728 28.964 1.00 0.00 O ATOM 1657 CB SER A 109 36.762 74.686 28.864 1.00 0.00 C ATOM 1658 OG SER A 109 37.764 73.824 28.338 1.00 0.00 O ATOM 0 H SER A 109 34.686 75.810 29.554 1.00 0.00 H new ATOM 0 HA SER A 109 35.239 73.873 27.580 1.00 0.00 H new ATOM 0 HB2 SER A 109 36.811 75.659 28.376 1.00 0.00 H new ATOM 0 HB3 SER A 109 36.932 74.854 29.928 1.00 0.00 H new ATOM 0 HG SER A 109 38.647 74.226 28.476 1.00 0.00 H new ATOM 1664 N HIS A 110 34.596 72.727 30.521 1.00 0.00 N ATOM 1665 CA HIS A 110 34.454 71.512 31.322 1.00 0.00 C ATOM 1666 C HIS A 110 33.234 70.721 30.879 1.00 0.00 C ATOM 1667 O HIS A 110 33.297 69.500 30.726 1.00 0.00 O ATOM 1668 CB HIS A 110 34.318 71.875 32.799 1.00 0.00 C ATOM 1669 CG HIS A 110 35.628 72.413 33.304 1.00 0.00 C ATOM 1670 ND1 HIS A 110 35.941 73.762 33.255 1.00 0.00 N ATOM 1671 CD2 HIS A 110 36.716 71.797 33.872 1.00 0.00 C ATOM 1672 CE1 HIS A 110 37.171 73.914 33.779 1.00 0.00 C ATOM 1673 NE2 HIS A 110 37.688 72.747 34.171 1.00 0.00 N ATOM 0 H HIS A 110 34.112 73.543 30.896 1.00 0.00 H new ATOM 0 HA HIS A 110 35.343 70.898 31.179 1.00 0.00 H new ATOM 0 HB2 HIS A 110 33.532 72.618 32.931 1.00 0.00 H new ATOM 0 HB3 HIS A 110 34.027 70.997 33.375 1.00 0.00 H new ATOM 0 HD2 HIS A 110 36.804 70.737 34.058 1.00 0.00 H new ATOM 0 HE1 HIS A 110 37.678 74.863 33.871 1.00 0.00 H new ATOM 0 HE2 HIS A 110 38.600 72.586 34.598 1.00 0.00 H new ATOM 1681 N ALA A 111 32.126 71.426 30.654 1.00 0.00 N ATOM 1682 CA ALA A 111 30.893 70.785 30.202 1.00 0.00 C ATOM 1683 C ALA A 111 30.374 71.459 28.931 1.00 0.00 C ATOM 1684 O ALA A 111 29.427 72.240 28.978 1.00 0.00 O ATOM 1685 CB ALA A 111 29.832 70.849 31.305 1.00 0.00 C ATOM 0 H ALA A 111 32.057 72.436 30.777 1.00 0.00 H new ATOM 0 HA ALA A 111 31.107 69.740 29.977 1.00 0.00 H new ATOM 0 HB1 ALA A 111 28.917 70.369 30.958 1.00 0.00 H new ATOM 0 HB2 ALA A 111 30.198 70.333 32.193 1.00 0.00 H new ATOM 0 HB3 ALA A 111 29.624 71.891 31.550 1.00 0.00 H new ATOM 1691 N PRO A 112 30.969 71.162 27.807 1.00 0.00 N ATOM 1692 CA PRO A 112 30.561 71.757 26.505 1.00 0.00 C ATOM 1693 C PRO A 112 29.340 71.067 25.912 1.00 0.00 C ATOM 1694 O PRO A 112 29.255 69.841 25.904 1.00 0.00 O ATOM 1695 CB PRO A 112 31.795 71.555 25.621 1.00 0.00 C ATOM 1696 CG PRO A 112 32.481 70.336 26.169 1.00 0.00 C ATOM 1697 CD PRO A 112 32.090 70.225 27.653 1.00 0.00 C ATOM 0 HA PRO A 112 30.266 72.802 26.603 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.512 71.412 24.578 1.00 0.00 H new ATOM 0 HB3 PRO A 112 32.451 72.425 25.657 1.00 0.00 H new ATOM 0 HG2 PRO A 112 32.175 69.444 25.622 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.562 70.421 26.061 1.00 0.00 H new ATOM 0 HD2 PRO A 112 31.796 69.208 27.911 1.00 0.00 H new ATOM 0 HD3 PRO A 112 32.923 70.491 28.304 1.00 0.00 H new ATOM 1705 N THR A 113 28.404 71.859 25.405 1.00 0.00 N ATOM 1706 CA THR A 113 27.186 71.324 24.799 1.00 0.00 C ATOM 1707 C THR A 113 27.133 71.681 23.328 1.00 0.00 C ATOM 1708 O THR A 113 27.987 72.409 22.822 1.00 0.00 O ATOM 1709 CB THR A 113 25.954 71.880 25.515 1.00 0.00 C ATOM 1710 OG1 THR A 113 25.653 73.171 25.006 1.00 0.00 O ATOM 1711 CG2 THR A 113 26.227 71.970 27.017 1.00 0.00 C ATOM 0 H THR A 113 28.463 72.877 25.400 1.00 0.00 H new ATOM 0 HA THR A 113 27.194 70.239 24.899 1.00 0.00 H new ATOM 0 HB THR A 113 25.106 71.216 25.344 1.00 0.00 H new ATOM 0 HG1 THR A 113 24.863 73.527 25.464 1.00 0.00 H new ATOM 0 HG21 THR A 113 25.347 72.367 27.524 1.00 0.00 H new ATOM 0 HG22 THR A 113 26.453 70.977 27.406 1.00 0.00 H new ATOM 0 HG23 THR A 113 27.076 72.631 27.194 1.00 0.00 H new ATOM 1719 N PHE A 114 26.128 71.151 22.636 1.00 0.00 N ATOM 1720 CA PHE A 114 25.975 71.416 21.203 1.00 0.00 C ATOM 1721 C PHE A 114 24.541 71.818 20.886 1.00 0.00 C ATOM 1722 O PHE A 114 23.594 71.317 21.493 1.00 0.00 O ATOM 1723 CB PHE A 114 26.346 70.154 20.408 1.00 0.00 C ATOM 1724 CG PHE A 114 27.396 69.375 21.167 1.00 0.00 C ATOM 1725 CD1 PHE A 114 28.716 69.827 21.198 1.00 0.00 C ATOM 1726 CD2 PHE A 114 27.044 68.203 21.840 1.00 0.00 C ATOM 1727 CE1 PHE A 114 29.688 69.111 21.897 1.00 0.00 C ATOM 1728 CE2 PHE A 114 28.011 67.483 22.538 1.00 0.00 C ATOM 1729 CZ PHE A 114 29.338 67.931 22.568 1.00 0.00 C ATOM 0 H PHE A 114 25.414 70.542 23.036 1.00 0.00 H new ATOM 0 HA PHE A 114 26.637 72.235 20.923 1.00 0.00 H new ATOM 0 HB2 PHE A 114 25.462 69.536 20.251 1.00 0.00 H new ATOM 0 HB3 PHE A 114 26.722 70.429 19.423 1.00 0.00 H new ATOM 0 HD1 PHE A 114 28.986 70.735 20.679 1.00 0.00 H new ATOM 0 HD2 PHE A 114 26.022 67.855 21.819 1.00 0.00 H new ATOM 0 HE1 PHE A 114 30.708 69.465 21.921 1.00 0.00 H new ATOM 0 HE2 PHE A 114 27.737 66.577 23.058 1.00 0.00 H new ATOM 0 HZ PHE A 114 30.088 67.370 23.106 1.00 0.00 H new ATOM 1739 N THR A 115 24.383 72.713 19.916 1.00 0.00 N ATOM 1740 CA THR A 115 23.055 73.167 19.505 1.00 0.00 C ATOM 1741 C THR A 115 22.897 73.034 17.998 1.00 0.00 C ATOM 1742 O THR A 115 23.730 73.517 17.231 1.00 0.00 O ATOM 1743 CB THR A 115 22.851 74.622 19.920 1.00 0.00 C ATOM 1744 OG1 THR A 115 22.982 74.729 21.330 1.00 0.00 O ATOM 1745 CG2 THR A 115 21.455 75.082 19.496 1.00 0.00 C ATOM 0 H THR A 115 25.154 73.138 19.400 1.00 0.00 H new ATOM 0 HA THR A 115 22.305 72.546 19.995 1.00 0.00 H new ATOM 0 HB THR A 115 23.599 75.250 19.437 1.00 0.00 H new ATOM 0 HG1 THR A 115 22.853 75.662 21.601 1.00 0.00 H new ATOM 0 HG21 THR A 115 21.309 76.121 19.792 1.00 0.00 H new ATOM 0 HG22 THR A 115 21.357 74.996 18.414 1.00 0.00 H new ATOM 0 HG23 THR A 115 20.704 74.458 19.980 1.00 0.00 H new ATOM 1753 N SER A 116 21.822 72.374 17.574 1.00 0.00 N ATOM 1754 CA SER A 116 21.567 72.177 16.146 1.00 0.00 C ATOM 1755 C SER A 116 20.347 72.977 15.709 1.00 0.00 C ATOM 1756 O SER A 116 19.341 73.037 16.417 1.00 0.00 O ATOM 1757 CB SER A 116 21.325 70.696 15.863 1.00 0.00 C ATOM 1758 OG SER A 116 20.111 70.289 16.478 1.00 0.00 O ATOM 0 H SER A 116 21.118 71.969 18.191 1.00 0.00 H new ATOM 0 HA SER A 116 22.438 72.521 15.588 1.00 0.00 H new ATOM 0 HB2 SER A 116 21.276 70.523 14.788 1.00 0.00 H new ATOM 0 HB3 SER A 116 22.155 70.101 16.244 1.00 0.00 H new ATOM 0 HG SER A 116 19.874 70.924 17.186 1.00 0.00 H new ATOM 1764 N THR A 117 20.444 73.602 14.540 1.00 0.00 N ATOM 1765 CA THR A 117 19.344 74.409 14.011 1.00 0.00 C ATOM 1766 C THR A 117 19.093 74.069 12.554 1.00 0.00 C ATOM 1767 O THR A 117 20.024 73.758 11.809 1.00 0.00 O ATOM 1768 CB THR A 117 19.680 75.896 14.144 1.00 0.00 C ATOM 1769 OG1 THR A 117 19.805 76.228 15.520 1.00 0.00 O ATOM 1770 CG2 THR A 117 18.563 76.729 13.515 1.00 0.00 C ATOM 0 H THR A 117 21.269 73.567 13.941 1.00 0.00 H new ATOM 0 HA THR A 117 18.443 74.190 14.584 1.00 0.00 H new ATOM 0 HB THR A 117 20.619 76.106 13.632 1.00 0.00 H new ATOM 0 HG1 THR A 117 20.022 77.180 15.609 1.00 0.00 H new ATOM 0 HG21 THR A 117 18.802 77.788 13.609 1.00 0.00 H new ATOM 0 HG22 THR A 117 18.467 76.471 12.460 1.00 0.00 H new ATOM 0 HG23 THR A 117 17.623 76.522 14.026 1.00 0.00 H new ATOM 1778 N VAL A 118 17.827 74.136 12.144 1.00 0.00 N ATOM 1779 CA VAL A 118 17.457 73.832 10.762 1.00 0.00 C ATOM 1780 C VAL A 118 16.789 75.034 10.120 1.00 0.00 C ATOM 1781 O VAL A 118 16.174 75.855 10.801 1.00 0.00 O ATOM 1782 CB VAL A 118 16.509 72.637 10.724 1.00 0.00 C ATOM 1783 CG1 VAL A 118 15.188 73.006 11.397 1.00 0.00 C ATOM 1784 CG2 VAL A 118 16.248 72.240 9.270 1.00 0.00 C ATOM 0 H VAL A 118 17.045 74.396 12.744 1.00 0.00 H new ATOM 0 HA VAL A 118 18.362 73.589 10.206 1.00 0.00 H new ATOM 0 HB VAL A 118 16.962 71.800 11.255 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.513 72.150 11.368 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.374 73.287 12.434 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.733 73.845 10.870 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.571 71.386 9.242 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.797 73.078 8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 118 17.190 71.972 8.791 1.00 0.00 H new ATOM 1794 N GLU A 119 16.907 75.136 8.796 1.00 0.00 N ATOM 1795 CA GLU A 119 16.302 76.249 8.060 1.00 0.00 C ATOM 1796 C GLU A 119 15.586 75.756 6.816 1.00 0.00 C ATOM 1797 O GLU A 119 16.222 75.350 5.841 1.00 0.00 O ATOM 1798 CB GLU A 119 17.381 77.253 7.661 1.00 0.00 C ATOM 1799 CG GLU A 119 16.727 78.487 7.039 1.00 0.00 C ATOM 1800 CD GLU A 119 17.794 79.506 6.655 1.00 0.00 C ATOM 1801 OE1 GLU A 119 18.958 79.136 6.632 1.00 0.00 O ATOM 1802 OE2 GLU A 119 17.435 80.643 6.395 1.00 0.00 O1- ATOM 0 H GLU A 119 17.412 74.468 8.214 1.00 0.00 H new ATOM 0 HA GLU A 119 15.572 76.730 8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.966 77.540 8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.071 76.798 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.153 78.199 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.025 78.932 7.745 1.00 0.00 H new ATOM 1809 N PHE A 120 14.257 75.774 6.861 1.00 0.00 N ATOM 1810 CA PHE A 120 13.457 75.321 5.723 1.00 0.00 C ATOM 1811 C PHE A 120 12.246 76.231 5.538 1.00 0.00 C ATOM 1812 O PHE A 120 11.853 76.940 6.463 1.00 0.00 O ATOM 1813 CB PHE A 120 12.991 73.880 5.928 1.00 0.00 C ATOM 1814 CG PHE A 120 11.972 73.825 7.040 1.00 0.00 C ATOM 1815 CD1 PHE A 120 10.615 74.002 6.748 1.00 0.00 C ATOM 1816 CD2 PHE A 120 12.382 73.602 8.356 1.00 0.00 C ATOM 1817 CE1 PHE A 120 9.666 73.956 7.775 1.00 0.00 C ATOM 1818 CE2 PHE A 120 11.435 73.553 9.384 1.00 0.00 C ATOM 1819 CZ PHE A 120 10.076 73.729 9.093 1.00 0.00 C ATOM 0 H PHE A 120 13.714 76.093 7.663 1.00 0.00 H new ATOM 0 HA PHE A 120 14.080 75.363 4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 120 12.557 73.494 5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 120 13.842 73.244 6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 120 10.300 74.174 5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 120 13.430 73.467 8.580 1.00 0.00 H new ATOM 0 HE1 PHE A 120 8.619 74.095 7.551 1.00 0.00 H new ATOM 0 HE2 PHE A 120 11.751 73.380 10.402 1.00 0.00 H new ATOM 0 HZ PHE A 120 9.345 73.689 9.887 1.00 0.00 H new ATOM 1829 N ALA A 121 11.640 76.184 4.356 1.00 0.00 N ATOM 1830 CA ALA A 121 10.466 76.999 4.079 1.00 0.00 C ATOM 1831 C ALA A 121 10.765 78.473 4.340 1.00 0.00 C ATOM 1832 O ALA A 121 9.849 79.289 4.438 1.00 0.00 O ATOM 1833 CB ALA A 121 9.287 76.550 4.945 1.00 0.00 C ATOM 0 H ALA A 121 11.941 75.594 3.580 1.00 0.00 H new ATOM 0 HA ALA A 121 10.203 76.872 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 121 8.418 77.170 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.053 75.507 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 121 9.549 76.653 5.998 1.00 0.00 H new ATOM 1839 N GLY A 122 12.046 78.801 4.444 1.00 0.00 N ATOM 1840 CA GLY A 122 12.454 80.178 4.688 1.00 0.00 C ATOM 1841 C GLY A 122 12.350 80.528 6.165 1.00 0.00 C ATOM 1842 O GLY A 122 12.435 81.695 6.540 1.00 0.00 O ATOM 0 H GLY A 122 12.816 78.137 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 122 13.480 80.322 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 122 11.828 80.854 4.106 1.00 0.00 H new ATOM 1846 N LYS A 123 12.171 79.512 7.000 1.00 0.00 N ATOM 1847 CA LYS A 123 12.060 79.713 8.446 1.00 0.00 C ATOM 1848 C LYS A 123 13.088 78.865 9.176 1.00 0.00 C ATOM 1849 O LYS A 123 13.458 77.785 8.720 1.00 0.00 O ATOM 1850 CB LYS A 123 10.654 79.349 8.920 1.00 0.00 C ATOM 1851 CG LYS A 123 9.685 80.474 8.568 1.00 0.00 C ATOM 1852 CD LYS A 123 8.271 80.075 8.987 1.00 0.00 C ATOM 1853 CE LYS A 123 7.278 81.132 8.496 1.00 0.00 C ATOM 1854 NZ LYS A 123 7.530 82.419 9.205 1.00 0.00 N1+ ATOM 0 H LYS A 123 12.099 78.539 6.704 1.00 0.00 H new ATOM 0 HA LYS A 123 12.249 80.763 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 123 10.332 78.419 8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 123 10.655 79.181 9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.980 81.394 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 123 9.716 80.674 7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.018 79.100 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 123 8.214 79.982 10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 123 7.381 81.271 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.256 80.799 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 6.733 83.067 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.629 82.240 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.405 82.849 8.843 1.00 0.00 H new ATOM 1868 N VAL A 124 13.559 79.370 10.314 1.00 0.00 N ATOM 1869 CA VAL A 124 14.562 78.655 11.103 1.00 0.00 C ATOM 1870 C VAL A 124 13.963 78.126 12.399 1.00 0.00 C ATOM 1871 O VAL A 124 13.443 78.888 13.210 1.00 0.00 O ATOM 1872 CB VAL A 124 15.723 79.597 11.437 1.00 0.00 C ATOM 1873 CG1 VAL A 124 15.261 80.654 12.450 1.00 0.00 C ATOM 1874 CG2 VAL A 124 16.877 78.789 12.032 1.00 0.00 C ATOM 0 H VAL A 124 13.266 80.264 10.709 1.00 0.00 H new ATOM 0 HA VAL A 124 14.920 77.812 10.512 1.00 0.00 H new ATOM 0 HB VAL A 124 16.056 80.095 10.527 1.00 0.00 H new ATOM 0 HG11 VAL A 124 16.091 81.321 12.684 1.00 0.00 H new ATOM 0 HG12 VAL A 124 14.440 81.231 12.025 1.00 0.00 H new ATOM 0 HG13 VAL A 124 14.924 80.161 13.362 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.704 79.457 12.270 1.00 0.00 H new ATOM 0 HG22 VAL A 124 16.541 78.289 12.941 1.00 0.00 H new ATOM 0 HG23 VAL A 124 17.210 78.043 11.310 1.00 0.00 H new ATOM 1884 N PHE A 125 14.029 76.810 12.579 1.00 0.00 N ATOM 1885 CA PHE A 125 13.484 76.183 13.784 1.00 0.00 C ATOM 1886 C PHE A 125 14.619 75.763 14.711 1.00 0.00 C ATOM 1887 O PHE A 125 15.398 74.862 14.389 1.00 0.00 O ATOM 1888 CB PHE A 125 12.655 74.958 13.407 1.00 0.00 C ATOM 1889 CG PHE A 125 11.453 75.393 12.601 1.00 0.00 C ATOM 1890 CD1 PHE A 125 11.616 75.803 11.272 1.00 0.00 C ATOM 1891 CD2 PHE A 125 10.177 75.380 13.177 1.00 0.00 C ATOM 1892 CE1 PHE A 125 10.505 76.202 10.523 1.00 0.00 C ATOM 1893 CE2 PHE A 125 9.069 75.781 12.424 1.00 0.00 C ATOM 1894 CZ PHE A 125 9.232 76.193 11.099 1.00 0.00 C ATOM 0 H PHE A 125 14.450 76.161 11.914 1.00 0.00 H new ATOM 0 HA PHE A 125 12.847 76.904 14.297 1.00 0.00 H new ATOM 0 HB2 PHE A 125 13.260 74.259 12.829 1.00 0.00 H new ATOM 0 HB3 PHE A 125 12.333 74.433 14.306 1.00 0.00 H new ATOM 0 HD1 PHE A 125 12.599 75.811 10.826 1.00 0.00 H new ATOM 0 HD2 PHE A 125 10.049 75.061 14.201 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.631 76.518 9.498 1.00 0.00 H new ATOM 0 HE2 PHE A 125 8.085 75.772 12.868 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.375 76.504 10.520 1.00 0.00 H new ATOM 1904 N SER A 126 14.715 76.435 15.855 1.00 0.00 N ATOM 1905 CA SER A 126 15.764 76.132 16.822 1.00 0.00 C ATOM 1906 C SER A 126 15.362 74.946 17.687 1.00 0.00 C ATOM 1907 O SER A 126 14.224 74.859 18.151 1.00 0.00 O ATOM 1908 CB SER A 126 16.026 77.348 17.709 1.00 0.00 C ATOM 1909 OG SER A 126 16.165 78.503 16.892 1.00 0.00 O ATOM 0 H SER A 126 14.084 77.187 16.133 1.00 0.00 H new ATOM 0 HA SER A 126 16.674 75.880 16.277 1.00 0.00 H new ATOM 0 HB2 SER A 126 15.205 77.483 18.413 1.00 0.00 H new ATOM 0 HB3 SER A 126 16.930 77.195 18.299 1.00 0.00 H new ATOM 0 HG SER A 126 16.332 79.286 17.458 1.00 0.00 H new ATOM 1915 N GLY A 127 16.305 74.037 17.914 1.00 0.00 N ATOM 1916 CA GLY A 127 16.042 72.860 18.737 1.00 0.00 C ATOM 1917 C GLY A 127 16.470 73.104 20.179 1.00 0.00 C ATOM 1918 O GLY A 127 16.818 74.225 20.553 1.00 0.00 O ATOM 0 H GLY A 127 17.253 74.091 17.542 1.00 0.00 H new ATOM 0 HA2 GLY A 127 14.980 72.617 18.704 1.00 0.00 H new ATOM 0 HA3 GLY A 127 16.578 72.001 18.334 1.00 0.00 H new ATOM 1922 N GLU A 128 16.436 72.053 20.988 1.00 0.00 N ATOM 1923 CA GLU A 128 16.819 72.167 22.388 1.00 0.00 C ATOM 1924 C GLU A 128 18.332 72.040 22.539 1.00 0.00 C ATOM 1925 O GLU A 128 19.042 71.782 21.569 1.00 0.00 O ATOM 1926 CB GLU A 128 16.111 71.080 23.216 1.00 0.00 C ATOM 1927 CG GLU A 128 16.983 69.820 23.287 1.00 0.00 C ATOM 1928 CD GLU A 128 16.149 68.626 23.718 1.00 0.00 C ATOM 1929 OE1 GLU A 128 14.998 68.561 23.323 1.00 0.00 O ATOM 1930 OE2 GLU A 128 16.680 67.788 24.426 1.00 0.00 O1- ATOM 0 H GLU A 128 16.149 71.117 20.701 1.00 0.00 H new ATOM 0 HA GLU A 128 16.516 73.148 22.755 1.00 0.00 H new ATOM 0 HB2 GLU A 128 15.911 71.450 24.221 1.00 0.00 H new ATOM 0 HB3 GLU A 128 15.147 70.840 22.767 1.00 0.00 H new ATOM 0 HG2 GLU A 128 17.433 69.626 22.313 1.00 0.00 H new ATOM 0 HG3 GLU A 128 17.801 69.974 23.991 1.00 0.00 H new ATOM 1937 N GLU A 129 18.812 72.174 23.775 1.00 0.00 N ATOM 1938 CA GLU A 129 20.240 72.037 24.054 1.00 0.00 C ATOM 1939 C GLU A 129 20.524 70.725 24.785 1.00 0.00 C ATOM 1940 O GLU A 129 19.767 70.313 25.664 1.00 0.00 O ATOM 1941 CB GLU A 129 20.712 73.212 24.907 1.00 0.00 C ATOM 1942 CG GLU A 129 20.674 74.493 24.073 1.00 0.00 C ATOM 1943 CD GLU A 129 21.081 75.685 24.931 1.00 0.00 C ATOM 1944 OE1 GLU A 129 21.331 75.485 26.108 1.00 0.00 O ATOM 1945 OE2 GLU A 129 21.141 76.781 24.397 1.00 0.00 O1- ATOM 0 H GLU A 129 18.237 72.376 24.593 1.00 0.00 H new ATOM 0 HA GLU A 129 20.780 72.031 23.107 1.00 0.00 H new ATOM 0 HB2 GLU A 129 20.075 73.318 25.785 1.00 0.00 H new ATOM 0 HB3 GLU A 129 21.724 73.030 25.268 1.00 0.00 H new ATOM 0 HG2 GLU A 129 21.347 74.402 23.220 1.00 0.00 H new ATOM 0 HG3 GLU A 129 19.672 74.647 23.673 1.00 0.00 H new ATOM 1952 N ALA A 130 21.623 70.076 24.413 1.00 0.00 N ATOM 1953 CA ALA A 130 22.006 68.816 25.036 1.00 0.00 C ATOM 1954 C ALA A 130 23.493 68.547 24.829 1.00 0.00 C ATOM 1955 O ALA A 130 24.091 69.021 23.866 1.00 0.00 O ATOM 1956 CB ALA A 130 21.188 67.671 24.443 1.00 0.00 C ATOM 0 H ALA A 130 22.261 70.401 23.686 1.00 0.00 H new ATOM 0 HA ALA A 130 21.808 68.885 26.106 1.00 0.00 H new ATOM 0 HB1 ALA A 130 21.481 66.733 24.914 1.00 0.00 H new ATOM 0 HB2 ALA A 130 20.128 67.851 24.621 1.00 0.00 H new ATOM 0 HB3 ALA A 130 21.371 67.611 23.370 1.00 0.00 H new ATOM 1962 N LYS A 131 24.078 67.774 25.736 1.00 0.00 N ATOM 1963 CA LYS A 131 25.493 67.435 25.645 1.00 0.00 C ATOM 1964 C LYS A 131 25.709 66.327 24.623 1.00 0.00 C ATOM 1965 O LYS A 131 26.577 65.471 24.791 1.00 0.00 O ATOM 1966 CB LYS A 131 26.020 66.985 27.011 1.00 0.00 C ATOM 1967 CG LYS A 131 27.541 67.157 27.061 1.00 0.00 C ATOM 1968 CD LYS A 131 28.048 66.825 28.463 1.00 0.00 C ATOM 1969 CE LYS A 131 29.546 67.109 28.540 1.00 0.00 C ATOM 1970 NZ LYS A 131 30.281 66.149 27.669 1.00 0.00 N1+ ATOM 0 H LYS A 131 23.597 67.371 26.540 1.00 0.00 H new ATOM 0 HA LYS A 131 26.039 68.323 25.326 1.00 0.00 H new ATOM 0 HB2 LYS A 131 25.552 67.570 27.803 1.00 0.00 H new ATOM 0 HB3 LYS A 131 25.756 65.942 27.187 1.00 0.00 H new ATOM 0 HG2 LYS A 131 28.015 66.505 26.328 1.00 0.00 H new ATOM 0 HG3 LYS A 131 27.810 68.180 26.799 1.00 0.00 H new ATOM 0 HD2 LYS A 131 27.515 67.420 29.205 1.00 0.00 H new ATOM 0 HD3 LYS A 131 27.853 65.778 28.694 1.00 0.00 H new ATOM 0 HE2 LYS A 131 29.749 68.132 28.224 1.00 0.00 H new ATOM 0 HE3 LYS A 131 29.891 67.019 29.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 31.293 66.168 27.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 29.908 65.190 27.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 30.156 66.419 26.672 1.00 0.00 H new ATOM 1984 N THR A 132 24.909 66.339 23.569 1.00 0.00 N ATOM 1985 CA THR A 132 25.012 65.319 22.525 1.00 0.00 C ATOM 1986 C THR A 132 24.494 65.853 21.193 1.00 0.00 C ATOM 1987 O THR A 132 23.530 66.619 21.153 1.00 0.00 O ATOM 1988 CB THR A 132 24.209 64.082 22.933 1.00 0.00 C ATOM 1989 OG1 THR A 132 24.665 63.615 24.195 1.00 0.00 O ATOM 1990 CG2 THR A 132 24.390 62.983 21.887 1.00 0.00 C ATOM 0 H THR A 132 24.183 67.038 23.409 1.00 0.00 H new ATOM 0 HA THR A 132 26.062 65.051 22.405 1.00 0.00 H new ATOM 0 HB THR A 132 23.153 64.344 23.002 1.00 0.00 H new ATOM 0 HG1 THR A 132 24.149 62.824 24.457 1.00 0.00 H new ATOM 0 HG21 THR A 132 23.817 62.103 22.180 1.00 0.00 H new ATOM 0 HG22 THR A 132 24.037 63.340 20.919 1.00 0.00 H new ATOM 0 HG23 THR A 132 25.445 62.721 21.814 1.00 0.00 H new ATOM 1998 N LYS A 133 25.134 65.438 20.108 1.00 0.00 N ATOM 1999 CA LYS A 133 24.725 65.866 18.778 1.00 0.00 C ATOM 2000 C LYS A 133 23.399 65.224 18.381 1.00 0.00 C ATOM 2001 O LYS A 133 22.559 65.852 17.736 1.00 0.00 O ATOM 2002 CB LYS A 133 25.801 65.508 17.751 1.00 0.00 C ATOM 2003 CG LYS A 133 27.009 66.426 17.937 1.00 0.00 C ATOM 2004 CD LYS A 133 28.090 66.061 16.917 1.00 0.00 C ATOM 2005 CE LYS A 133 29.249 67.053 17.022 1.00 0.00 C ATOM 2006 NZ LYS A 133 29.879 66.940 18.370 1.00 0.00 N1+ ATOM 0 H LYS A 133 25.936 64.808 20.123 1.00 0.00 H new ATOM 0 HA LYS A 133 24.594 66.948 18.798 1.00 0.00 H new ATOM 0 HB2 LYS A 133 26.100 64.467 17.870 1.00 0.00 H new ATOM 0 HB3 LYS A 133 25.404 65.612 16.741 1.00 0.00 H new ATOM 0 HG2 LYS A 133 26.711 67.467 17.810 1.00 0.00 H new ATOM 0 HG3 LYS A 133 27.401 66.328 18.949 1.00 0.00 H new ATOM 0 HD2 LYS A 133 28.448 65.047 17.098 1.00 0.00 H new ATOM 0 HD3 LYS A 133 27.674 66.077 15.910 1.00 0.00 H new ATOM 0 HE2 LYS A 133 29.987 66.850 16.246 1.00 0.00 H new ATOM 0 HE3 LYS A 133 28.888 68.069 16.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 30.812 67.399 18.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 29.274 67.406 19.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 29.991 65.936 18.618 1.00 0.00 H new ATOM 2020 N LYS A 134 23.232 63.958 18.749 1.00 0.00 N ATOM 2021 CA LYS A 134 22.018 63.229 18.401 1.00 0.00 C ATOM 2022 C LYS A 134 20.793 63.929 18.971 1.00 0.00 C ATOM 2023 O LYS A 134 19.805 64.134 18.268 1.00 0.00 O ATOM 2024 CB LYS A 134 22.090 61.806 18.953 1.00 0.00 C ATOM 2025 CG LYS A 134 23.226 61.045 18.262 1.00 0.00 C ATOM 2026 CD LYS A 134 23.195 59.574 18.692 1.00 0.00 C ATOM 2027 CE LYS A 134 23.646 59.450 20.150 1.00 0.00 C ATOM 2028 NZ LYS A 134 23.948 58.026 20.457 1.00 0.00 N1+ ATOM 0 H LYS A 134 23.915 63.420 19.283 1.00 0.00 H new ATOM 0 HA LYS A 134 21.935 63.197 17.315 1.00 0.00 H new ATOM 0 HB2 LYS A 134 22.257 61.831 20.030 1.00 0.00 H new ATOM 0 HB3 LYS A 134 21.142 61.293 18.789 1.00 0.00 H new ATOM 0 HG2 LYS A 134 23.122 61.120 17.180 1.00 0.00 H new ATOM 0 HG3 LYS A 134 24.186 61.490 18.522 1.00 0.00 H new ATOM 0 HD2 LYS A 134 22.188 59.174 18.578 1.00 0.00 H new ATOM 0 HD3 LYS A 134 23.847 58.984 18.049 1.00 0.00 H new ATOM 0 HE2 LYS A 134 24.529 60.065 20.322 1.00 0.00 H new ATOM 0 HE3 LYS A 134 22.866 59.819 20.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 24.254 57.942 21.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 23.095 57.450 20.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 24.706 57.689 19.830 1.00 0.00 H new ATOM 2042 N LEU A 135 20.857 64.292 20.248 1.00 0.00 N ATOM 2043 CA LEU A 135 19.740 64.967 20.892 1.00 0.00 C ATOM 2044 C LEU A 135 19.489 66.327 20.252 1.00 0.00 C ATOM 2045 O LEU A 135 18.343 66.718 20.038 1.00 0.00 O ATOM 2046 CB LEU A 135 20.039 65.146 22.389 1.00 0.00 C ATOM 2047 CG LEU A 135 19.738 63.843 23.135 1.00 0.00 C ATOM 2048 CD1 LEU A 135 20.458 62.679 22.445 1.00 0.00 C ATOM 2049 CD2 LEU A 135 20.226 63.961 24.579 1.00 0.00 C ATOM 0 H LEU A 135 21.664 64.131 20.851 1.00 0.00 H new ATOM 0 HA LEU A 135 18.846 64.356 20.767 1.00 0.00 H new ATOM 0 HB2 LEU A 135 21.083 65.424 22.530 1.00 0.00 H new ATOM 0 HB3 LEU A 135 19.435 65.957 22.796 1.00 0.00 H new ATOM 0 HG LEU A 135 18.664 63.659 23.127 1.00 0.00 H new ATOM 0 HD11 LEU A 135 20.243 61.752 22.977 1.00 0.00 H new ATOM 0 HD12 LEU A 135 20.111 62.596 21.415 1.00 0.00 H new ATOM 0 HD13 LEU A 135 21.533 62.861 22.452 1.00 0.00 H new ATOM 0 HD21 LEU A 135 20.013 63.034 25.112 1.00 0.00 H new ATOM 0 HD22 LEU A 135 21.300 64.145 24.586 1.00 0.00 H new ATOM 0 HD23 LEU A 135 19.713 64.788 25.070 1.00 0.00 H new ATOM 2061 N ALA A 136 20.568 67.049 19.968 1.00 0.00 N ATOM 2062 CA ALA A 136 20.445 68.370 19.371 1.00 0.00 C ATOM 2063 C ALA A 136 19.665 68.289 18.064 1.00 0.00 C ATOM 2064 O ALA A 136 18.668 68.988 17.884 1.00 0.00 O ATOM 2065 CB ALA A 136 21.838 68.947 19.098 1.00 0.00 C ATOM 0 H ALA A 136 21.526 66.745 20.140 1.00 0.00 H new ATOM 0 HA ALA A 136 19.910 69.019 20.065 1.00 0.00 H new ATOM 0 HB1 ALA A 136 21.741 69.936 18.651 1.00 0.00 H new ATOM 0 HB2 ALA A 136 22.390 69.025 20.035 1.00 0.00 H new ATOM 0 HB3 ALA A 136 22.376 68.291 18.414 1.00 0.00 H new ATOM 2071 N GLU A 137 20.125 67.440 17.149 1.00 0.00 N ATOM 2072 CA GLU A 137 19.465 67.291 15.860 1.00 0.00 C ATOM 2073 C GLU A 137 18.037 66.791 16.050 1.00 0.00 C ATOM 2074 O GLU A 137 17.110 67.272 15.400 1.00 0.00 O ATOM 2075 CB GLU A 137 20.242 66.298 14.993 1.00 0.00 C ATOM 2076 CG GLU A 137 21.665 66.818 14.768 1.00 0.00 C ATOM 2077 CD GLU A 137 21.629 68.093 13.932 1.00 0.00 C ATOM 2078 OE1 GLU A 137 20.623 68.323 13.279 1.00 0.00 O ATOM 2079 OE2 GLU A 137 22.607 68.823 13.960 1.00 0.00 O1- ATOM 0 H GLU A 137 20.947 66.849 17.277 1.00 0.00 H new ATOM 0 HA GLU A 137 19.438 68.263 15.367 1.00 0.00 H new ATOM 0 HB2 GLU A 137 20.273 65.322 15.478 1.00 0.00 H new ATOM 0 HB3 GLU A 137 19.738 66.163 14.036 1.00 0.00 H new ATOM 0 HG2 GLU A 137 22.145 67.016 15.727 1.00 0.00 H new ATOM 0 HG3 GLU A 137 22.263 66.059 14.263 1.00 0.00 H new ATOM 2086 N MET A 138 17.872 65.812 16.935 1.00 0.00 N ATOM 2087 CA MET A 138 16.554 65.246 17.190 1.00 0.00 C ATOM 2088 C MET A 138 15.589 66.322 17.669 1.00 0.00 C ATOM 2089 O MET A 138 14.463 66.421 17.184 1.00 0.00 O ATOM 2090 CB MET A 138 16.655 64.145 18.247 1.00 0.00 C ATOM 2091 CG MET A 138 15.279 63.508 18.459 1.00 0.00 C ATOM 2092 SD MET A 138 15.428 62.117 19.609 1.00 0.00 S ATOM 2093 CE MET A 138 13.712 61.551 19.500 1.00 0.00 C ATOM 0 H MET A 138 18.627 65.398 17.482 1.00 0.00 H new ATOM 0 HA MET A 138 16.176 64.825 16.258 1.00 0.00 H new ATOM 0 HB2 MET A 138 17.372 63.388 17.930 1.00 0.00 H new ATOM 0 HB3 MET A 138 17.023 64.560 19.185 1.00 0.00 H new ATOM 0 HG2 MET A 138 14.581 64.247 18.854 1.00 0.00 H new ATOM 0 HG3 MET A 138 14.875 63.165 17.507 1.00 0.00 H new ATOM 0 HE1 MET A 138 13.574 60.682 20.143 1.00 0.00 H new ATOM 0 HE2 MET A 138 13.044 62.350 19.821 1.00 0.00 H new ATOM 0 HE3 MET A 138 13.483 61.279 18.469 1.00 0.00 H new ATOM 2103 N SER A 139 16.033 67.127 18.631 1.00 0.00 N ATOM 2104 CA SER A 139 15.194 68.188 19.172 1.00 0.00 C ATOM 2105 C SER A 139 14.835 69.194 18.093 1.00 0.00 C ATOM 2106 O SER A 139 13.752 69.771 18.115 1.00 0.00 O ATOM 2107 CB SER A 139 15.926 68.895 20.315 1.00 0.00 C ATOM 2108 OG SER A 139 16.382 67.910 21.234 1.00 0.00 O ATOM 0 H SER A 139 16.962 67.065 19.048 1.00 0.00 H new ATOM 0 HA SER A 139 14.274 67.742 19.549 1.00 0.00 H new ATOM 0 HB2 SER A 139 16.767 69.471 19.928 1.00 0.00 H new ATOM 0 HB3 SER A 139 15.260 69.599 20.814 1.00 0.00 H new ATOM 0 HG SER A 139 17.295 67.641 20.999 1.00 0.00 H new ATOM 2114 N ALA A 140 15.757 69.410 17.161 1.00 0.00 N ATOM 2115 CA ALA A 140 15.531 70.365 16.080 1.00 0.00 C ATOM 2116 C ALA A 140 14.474 69.841 15.112 1.00 0.00 C ATOM 2117 O ALA A 140 13.542 70.553 14.743 1.00 0.00 O ATOM 2118 CB ALA A 140 16.838 70.618 15.327 1.00 0.00 C ATOM 0 H ALA A 140 16.662 68.941 17.131 1.00 0.00 H new ATOM 0 HA ALA A 140 15.175 71.300 16.514 1.00 0.00 H new ATOM 0 HB1 ALA A 140 16.662 71.331 14.522 1.00 0.00 H new ATOM 0 HB2 ALA A 140 17.581 71.022 16.014 1.00 0.00 H new ATOM 0 HB3 ALA A 140 17.204 69.681 14.908 1.00 0.00 H new ATOM 2124 N ALA A 141 14.629 68.594 14.695 1.00 0.00 N ATOM 2125 CA ALA A 141 13.685 67.982 13.769 1.00 0.00 C ATOM 2126 C ALA A 141 12.358 67.706 14.464 1.00 0.00 C ATOM 2127 O ALA A 141 11.316 67.605 13.818 1.00 0.00 O ATOM 2128 CB ALA A 141 14.255 66.672 13.227 1.00 0.00 C ATOM 0 H ALA A 141 15.397 67.986 14.981 1.00 0.00 H new ATOM 0 HA ALA A 141 13.517 68.674 12.944 1.00 0.00 H new ATOM 0 HB1 ALA A 141 13.541 66.223 12.536 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.190 66.871 12.704 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.440 65.986 14.054 1.00 0.00 H new ATOM 2134 N LYS A 142 12.399 67.589 15.789 1.00 0.00 N ATOM 2135 CA LYS A 142 11.193 67.328 16.562 1.00 0.00 C ATOM 2136 C LYS A 142 10.275 68.546 16.586 1.00 0.00 C ATOM 2137 O LYS A 142 9.071 68.437 16.349 1.00 0.00 O ATOM 2138 CB LYS A 142 11.569 66.939 17.994 1.00 0.00 C ATOM 2139 CG LYS A 142 10.310 66.524 18.759 1.00 0.00 C ATOM 2140 CD LYS A 142 10.695 66.071 20.169 1.00 0.00 C ATOM 2141 CE LYS A 142 9.439 65.641 20.929 1.00 0.00 C ATOM 2142 NZ LYS A 142 9.813 65.207 22.305 1.00 0.00 N1+ ATOM 0 H LYS A 142 13.250 67.671 16.345 1.00 0.00 H new ATOM 0 HA LYS A 142 10.657 66.507 16.085 1.00 0.00 H new ATOM 0 HB2 LYS A 142 12.287 66.119 17.983 1.00 0.00 H new ATOM 0 HB3 LYS A 142 12.052 67.778 18.495 1.00 0.00 H new ATOM 0 HG2 LYS A 142 9.612 67.359 18.812 1.00 0.00 H new ATOM 0 HG3 LYS A 142 9.801 65.717 18.232 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.402 65.243 20.116 1.00 0.00 H new ATOM 0 HD3 LYS A 142 11.194 66.882 20.699 1.00 0.00 H new ATOM 0 HE2 LYS A 142 8.730 66.467 20.977 1.00 0.00 H new ATOM 0 HE3 LYS A 142 8.943 64.826 20.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 8.959 64.915 22.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 10.474 64.406 22.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.267 65.997 22.807 1.00 0.00 H new ATOM 2156 N VAL A 143 10.850 69.705 16.895 1.00 0.00 N ATOM 2157 CA VAL A 143 10.077 70.937 16.966 1.00 0.00 C ATOM 2158 C VAL A 143 9.605 71.356 15.581 1.00 0.00 C ATOM 2159 O VAL A 143 8.494 71.861 15.422 1.00 0.00 O ATOM 2160 CB VAL A 143 10.919 72.052 17.587 1.00 0.00 C ATOM 2161 CG1 VAL A 143 12.202 72.235 16.777 1.00 0.00 C ATOM 2162 CG2 VAL A 143 10.125 73.361 17.575 1.00 0.00 C ATOM 0 H VAL A 143 11.843 69.815 17.099 1.00 0.00 H new ATOM 0 HA VAL A 143 9.203 70.757 17.592 1.00 0.00 H new ATOM 0 HB VAL A 143 11.169 71.785 18.614 1.00 0.00 H new ATOM 0 HG11 VAL A 143 12.802 73.030 17.220 1.00 0.00 H new ATOM 0 HG12 VAL A 143 12.771 71.305 16.782 1.00 0.00 H new ATOM 0 HG13 VAL A 143 11.949 72.500 15.750 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.726 74.155 18.018 1.00 0.00 H new ATOM 0 HG22 VAL A 143 9.875 73.625 16.548 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.208 73.236 18.151 1.00 0.00 H new ATOM 2172 N ALA A 144 10.457 71.158 14.582 1.00 0.00 N ATOM 2173 CA ALA A 144 10.116 71.532 13.219 1.00 0.00 C ATOM 2174 C ALA A 144 9.016 70.632 12.673 1.00 0.00 C ATOM 2175 O ALA A 144 8.039 71.108 12.102 1.00 0.00 O ATOM 2176 CB ALA A 144 11.361 71.420 12.326 1.00 0.00 C ATOM 0 H ALA A 144 11.383 70.743 14.691 1.00 0.00 H new ATOM 0 HA ALA A 144 9.756 72.561 13.222 1.00 0.00 H new ATOM 0 HB1 ALA A 144 11.103 71.701 11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 144 12.138 72.086 12.700 1.00 0.00 H new ATOM 0 HB3 ALA A 144 11.727 70.393 12.338 1.00 0.00 H new ATOM 2182 N PHE A 145 9.193 69.326 12.834 1.00 0.00 N ATOM 2183 CA PHE A 145 8.217 68.372 12.325 1.00 0.00 C ATOM 2184 C PHE A 145 6.842 68.637 12.920 1.00 0.00 C ATOM 2185 O PHE A 145 5.854 68.717 12.195 1.00 0.00 O ATOM 2186 CB PHE A 145 8.652 66.945 12.680 1.00 0.00 C ATOM 2187 CG PHE A 145 7.743 65.952 11.999 1.00 0.00 C ATOM 2188 CD1 PHE A 145 7.993 65.572 10.674 1.00 0.00 C ATOM 2189 CD2 PHE A 145 6.651 65.411 12.688 1.00 0.00 C ATOM 2190 CE1 PHE A 145 7.151 64.651 10.039 1.00 0.00 C ATOM 2191 CE2 PHE A 145 5.809 64.491 12.053 1.00 0.00 C ATOM 2192 CZ PHE A 145 6.059 64.110 10.729 1.00 0.00 C ATOM 0 H PHE A 145 9.994 68.907 13.307 1.00 0.00 H new ATOM 0 HA PHE A 145 8.161 68.485 11.242 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.684 66.781 12.369 1.00 0.00 H new ATOM 0 HB3 PHE A 145 8.618 66.802 13.760 1.00 0.00 H new ATOM 0 HD1 PHE A 145 8.835 65.989 10.142 1.00 0.00 H new ATOM 0 HD2 PHE A 145 6.458 65.704 13.710 1.00 0.00 H new ATOM 0 HE1 PHE A 145 7.344 64.358 9.018 1.00 0.00 H new ATOM 0 HE2 PHE A 145 4.966 64.075 12.584 1.00 0.00 H new ATOM 0 HZ PHE A 145 5.410 63.399 10.240 1.00 0.00 H new ATOM 2202 N MET A 146 6.784 68.783 14.236 1.00 0.00 N ATOM 2203 CA MET A 146 5.516 69.035 14.911 1.00 0.00 C ATOM 2204 C MET A 146 4.964 70.408 14.533 1.00 0.00 C ATOM 2205 O MET A 146 3.751 70.578 14.397 1.00 0.00 O ATOM 2206 CB MET A 146 5.709 68.962 16.427 1.00 0.00 C ATOM 2207 CG MET A 146 5.611 67.506 16.885 1.00 0.00 C ATOM 2208 SD MET A 146 4.227 67.328 18.038 1.00 0.00 S ATOM 2209 CE MET A 146 3.760 65.643 17.574 1.00 0.00 C ATOM 0 H MET A 146 7.593 68.732 14.855 1.00 0.00 H new ATOM 0 HA MET A 146 4.803 68.273 14.596 1.00 0.00 H new ATOM 0 HB2 MET A 146 6.679 69.376 16.701 1.00 0.00 H new ATOM 0 HB3 MET A 146 4.952 69.564 16.930 1.00 0.00 H new ATOM 0 HG2 MET A 146 5.468 66.852 16.025 1.00 0.00 H new ATOM 0 HG3 MET A 146 6.541 67.202 17.366 1.00 0.00 H new ATOM 0 HE1 MET A 146 2.908 65.323 18.174 1.00 0.00 H new ATOM 0 HE2 MET A 146 3.491 65.618 16.518 1.00 0.00 H new ATOM 0 HE3 MET A 146 4.600 64.971 17.750 1.00 0.00 H new ATOM 2219 N SER A 147 5.857 71.380 14.359 1.00 0.00 N ATOM 2220 CA SER A 147 5.443 72.722 13.988 1.00 0.00 C ATOM 2221 C SER A 147 4.812 72.731 12.600 1.00 0.00 C ATOM 2222 O SER A 147 3.831 73.435 12.355 1.00 0.00 O ATOM 2223 CB SER A 147 6.642 73.662 14.014 1.00 0.00 C ATOM 2224 OG SER A 147 7.128 73.772 15.346 1.00 0.00 O ATOM 0 H SER A 147 6.864 71.260 14.469 1.00 0.00 H new ATOM 0 HA SER A 147 4.699 73.062 14.709 1.00 0.00 H new ATOM 0 HB2 SER A 147 7.427 73.285 13.359 1.00 0.00 H new ATOM 0 HB3 SER A 147 6.356 74.644 13.637 1.00 0.00 H new ATOM 0 HG SER A 147 7.987 73.306 15.420 1.00 0.00 H new ATOM 2230 N ILE A 148 5.378 71.939 11.695 1.00 0.00 N ATOM 2231 CA ILE A 148 4.861 71.855 10.335 1.00 0.00 C ATOM 2232 C ILE A 148 3.479 71.213 10.332 1.00 0.00 C ATOM 2233 O ILE A 148 2.642 71.523 9.483 1.00 0.00 O ATOM 2234 CB ILE A 148 5.816 71.043 9.459 1.00 0.00 C ATOM 2235 CG1 ILE A 148 7.111 71.834 9.247 1.00 0.00 C ATOM 2236 CG2 ILE A 148 5.162 70.766 8.101 1.00 0.00 C ATOM 2237 CD1 ILE A 148 8.198 70.899 8.716 1.00 0.00 C ATOM 0 H ILE A 148 6.190 71.350 11.878 1.00 0.00 H new ATOM 0 HA ILE A 148 4.779 72.864 9.931 1.00 0.00 H new ATOM 0 HB ILE A 148 6.041 70.097 9.952 1.00 0.00 H new ATOM 0 HG12 ILE A 148 6.941 72.649 8.543 1.00 0.00 H new ATOM 0 HG13 ILE A 148 7.432 72.286 10.186 1.00 0.00 H new ATOM 0 HG21 ILE A 148 5.845 70.187 7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 148 4.241 70.203 8.249 1.00 0.00 H new ATOM 0 HG23 ILE A 148 4.934 71.711 7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 148 9.120 71.461 8.565 1.00 0.00 H new ATOM 0 HD12 ILE A 148 8.374 70.100 9.436 1.00 0.00 H new ATOM 0 HD13 ILE A 148 7.876 70.468 7.768 1.00 0.00 H new