USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 717 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 55 ASN : amide:sc= -0.308 K(o=-0.31,f=-5.6!) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot 3:sc= 1.08 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0.00794 USER MOD Single : A 9 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.025) USER MOD Single : A 10 THR OG1 : rot -140:sc= -0.209 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.817 USER MOD Single : A 16 ASN : amide:sc= -0.0224 K(o=-0.022,f=-0.75) USER MOD Single : A 20 ASN : amide:sc= -0.0841 X(o=-0.084,f=-0.0097) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 82:sc= -0.402 USER MOD Single : A 28 ASN : amide:sc= -0.068 K(o=-0.068,f=-2.4!) USER MOD Single : A 34 SER OG : rot 60:sc= -4.07! USER MOD Single : A 36 ASN : amide:sc= -0.904 K(o=-0.9,f=-1.7!) USER MOD Single : A 37 CYS SG : rot 97:sc= 0.83 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 38:sc= 1.01 USER MOD Single : A 47 CYS SG : rot 61:sc= 0.148 USER MOD Single : A 56 GLN : amide:sc= -2.26 K(o=-2.3,f=-3.6!) USER MOD Single : A 63 GLN : amide:sc= 0.315 K(o=0.32,f=-2.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 164:sc= -2.6! (180deg=-3.5!) USER MOD Single : A 68 ASN : amide:sc= -2.55 K(o=-2.5,f=-0.57) USER MOD Single : A 74 ASN : amide:sc= -1.29! C(o=-1.3!,f=-0.93!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.9) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.967 24.820 3.412 1.00 0.00 N ATOM 2 CA GLY A 1 -4.630 24.603 2.892 1.00 0.00 C ATOM 3 C GLY A 1 -4.433 25.223 1.522 1.00 0.00 C ATOM 4 O GLY A 1 -4.010 24.548 0.583 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.051 24.378 4.349 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.146 25.841 3.494 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.664 24.397 2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.901 25.023 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.435 23.532 2.834 1.00 0.00 H new ATOM 8 N SER A 2 -4.743 26.510 1.407 1.00 0.00 N ATOM 9 CA SER A 2 -4.603 27.219 0.140 1.00 0.00 C ATOM 10 C SER A 2 -3.209 27.824 0.007 1.00 0.00 C ATOM 11 O SER A 2 -2.955 28.935 0.473 1.00 0.00 O ATOM 12 CB SER A 2 -5.661 28.319 0.028 1.00 0.00 C ATOM 13 OG SER A 2 -6.942 27.769 -0.227 1.00 0.00 O ATOM 0 H SER A 2 -5.093 27.083 2.175 1.00 0.00 H new ATOM 0 HA SER A 2 -4.747 26.501 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.687 28.898 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.391 29.008 -0.773 1.00 0.00 H new ATOM 0 HG SER A 2 -7.601 28.491 -0.293 1.00 0.00 H new ATOM 19 N SER A 3 -2.308 27.084 -0.632 1.00 0.00 N ATOM 20 CA SER A 3 -0.938 27.545 -0.824 1.00 0.00 C ATOM 21 C SER A 3 -0.223 26.700 -1.874 1.00 0.00 C ATOM 22 O SER A 3 -0.434 25.492 -1.964 1.00 0.00 O ATOM 23 CB SER A 3 -0.170 27.492 0.499 1.00 0.00 C ATOM 24 OG SER A 3 1.154 27.971 0.339 1.00 0.00 O ATOM 0 H SER A 3 -2.502 26.163 -1.025 1.00 0.00 H new ATOM 0 HA SER A 3 -0.973 28.576 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.688 28.090 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.147 26.467 0.869 1.00 0.00 H new ATOM 0 HG SER A 3 1.623 27.929 1.198 1.00 0.00 H new ATOM 30 N GLY A 4 0.623 27.348 -2.669 1.00 0.00 N ATOM 31 CA GLY A 4 1.357 26.642 -3.704 1.00 0.00 C ATOM 32 C GLY A 4 2.844 26.580 -3.420 1.00 0.00 C ATOM 33 O GLY A 4 3.556 27.572 -3.581 1.00 0.00 O ATOM 0 H GLY A 4 0.813 28.349 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.965 25.629 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.193 27.135 -4.662 1.00 0.00 H new ATOM 37 N SER A 5 3.316 25.413 -2.995 1.00 0.00 N ATOM 38 CA SER A 5 4.728 25.226 -2.682 1.00 0.00 C ATOM 39 C SER A 5 5.099 23.747 -2.706 1.00 0.00 C ATOM 40 O SER A 5 4.236 22.877 -2.587 1.00 0.00 O ATOM 41 CB SER A 5 5.052 25.823 -1.311 1.00 0.00 C ATOM 42 OG SER A 5 6.450 25.840 -1.080 1.00 0.00 O ATOM 0 H SER A 5 2.741 24.582 -2.859 1.00 0.00 H new ATOM 0 HA SER A 5 5.314 25.742 -3.443 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.658 26.837 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.558 25.242 -0.532 1.00 0.00 H new ATOM 0 HG SER A 5 6.631 26.228 -0.198 1.00 0.00 H new ATOM 48 N SER A 6 6.390 23.469 -2.862 1.00 0.00 N ATOM 49 CA SER A 6 6.877 22.095 -2.906 1.00 0.00 C ATOM 50 C SER A 6 7.643 21.750 -1.632 1.00 0.00 C ATOM 51 O SER A 6 8.388 22.571 -1.100 1.00 0.00 O ATOM 52 CB SER A 6 7.775 21.889 -4.127 1.00 0.00 C ATOM 53 OG SER A 6 7.091 22.216 -5.324 1.00 0.00 O ATOM 0 H SER A 6 7.117 24.177 -2.960 1.00 0.00 H new ATOM 0 HA SER A 6 6.015 21.432 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.668 22.507 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.108 20.852 -4.167 1.00 0.00 H new ATOM 0 HG SER A 6 7.687 22.078 -6.090 1.00 0.00 H new ATOM 59 N GLY A 7 7.453 20.525 -1.149 1.00 0.00 N ATOM 60 CA GLY A 7 8.132 20.091 0.058 1.00 0.00 C ATOM 61 C GLY A 7 8.795 18.737 -0.105 1.00 0.00 C ATOM 62 O GLY A 7 9.428 18.468 -1.127 1.00 0.00 O ATOM 0 H GLY A 7 6.842 19.827 -1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.885 20.830 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.415 20.045 0.878 1.00 0.00 H new ATOM 66 N CYS A 8 8.651 17.885 0.903 1.00 0.00 N ATOM 67 CA CYS A 8 9.243 16.553 0.869 1.00 0.00 C ATOM 68 C CYS A 8 8.169 15.485 0.682 1.00 0.00 C ATOM 69 O CYS A 8 6.976 15.762 0.806 1.00 0.00 O ATOM 70 CB CYS A 8 10.026 16.286 2.155 1.00 0.00 C ATOM 71 SG CYS A 8 9.023 16.357 3.658 1.00 0.00 S ATOM 0 H CYS A 8 8.129 18.093 1.754 1.00 0.00 H new ATOM 0 HA CYS A 8 9.926 16.508 0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.491 15.302 2.087 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.833 17.015 2.235 1.00 0.00 H new ATOM 0 HG CYS A 8 9.773 16.116 4.692 1.00 0.00 H new ATOM 77 N HIS A 9 8.602 14.265 0.381 1.00 0.00 N ATOM 78 CA HIS A 9 7.677 13.156 0.176 1.00 0.00 C ATOM 79 C HIS A 9 6.763 12.979 1.385 1.00 0.00 C ATOM 80 O HIS A 9 7.059 13.465 2.477 1.00 0.00 O ATOM 81 CB HIS A 9 8.449 11.862 -0.087 1.00 0.00 C ATOM 82 CG HIS A 9 8.733 11.619 -1.537 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.742 12.261 -2.224 1.00 0.00 N ATOM 84 CD2 HIS A 9 8.135 10.797 -2.431 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.751 11.845 -3.478 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.785 10.956 -3.630 1.00 0.00 N ATOM 0 H HIS A 9 9.586 14.019 0.274 1.00 0.00 H new ATOM 0 HA HIS A 9 7.060 13.386 -0.693 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.392 11.894 0.459 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.879 11.022 0.309 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.301 10.138 -2.237 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.432 12.175 -4.248 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.559 10.468 -4.497 1.00 0.00 H new ATOM 94 N THR A 10 5.649 12.282 1.183 1.00 0.00 N ATOM 95 CA THR A 10 4.692 12.043 2.255 1.00 0.00 C ATOM 96 C THR A 10 4.357 10.561 2.373 1.00 0.00 C ATOM 97 O THR A 10 3.740 9.980 1.480 1.00 0.00 O ATOM 98 CB THR A 10 3.389 12.835 2.031 1.00 0.00 C ATOM 99 OG1 THR A 10 3.694 14.164 1.592 1.00 0.00 O ATOM 100 CG2 THR A 10 2.566 12.894 3.309 1.00 0.00 C ATOM 0 H THR A 10 5.388 11.873 0.286 1.00 0.00 H new ATOM 0 HA THR A 10 5.161 12.381 3.179 1.00 0.00 H new ATOM 0 HB THR A 10 2.805 12.324 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.086 14.799 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.651 13.458 3.127 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.312 11.882 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.145 13.384 4.092 1.00 0.00 H new ATOM 108 N LEU A 11 4.767 9.953 3.481 1.00 0.00 N ATOM 109 CA LEU A 11 4.510 8.537 3.717 1.00 0.00 C ATOM 110 C LEU A 11 3.287 8.347 4.609 1.00 0.00 C ATOM 111 O LEU A 11 2.995 9.181 5.466 1.00 0.00 O ATOM 112 CB LEU A 11 5.731 7.877 4.359 1.00 0.00 C ATOM 113 CG LEU A 11 7.064 8.088 3.640 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.215 8.075 4.634 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.268 7.023 2.572 1.00 0.00 C ATOM 0 H LEU A 11 5.279 10.419 4.230 1.00 0.00 H new ATOM 0 HA LEU A 11 4.313 8.064 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.828 8.251 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.545 6.805 4.429 1.00 0.00 H new ATOM 0 HG LEU A 11 7.042 9.063 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.155 8.227 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.076 8.874 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.240 7.115 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.221 7.189 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.269 6.037 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.460 7.080 1.843 1.00 0.00 H new ATOM 127 N LEU A 12 2.578 7.243 4.403 1.00 0.00 N ATOM 128 CA LEU A 12 1.387 6.941 5.190 1.00 0.00 C ATOM 129 C LEU A 12 1.634 5.756 6.119 1.00 0.00 C ATOM 130 O LEU A 12 2.493 4.915 5.854 1.00 0.00 O ATOM 131 CB LEU A 12 0.204 6.642 4.268 1.00 0.00 C ATOM 132 CG LEU A 12 -0.312 7.817 3.436 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.549 7.411 2.649 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.615 9.010 4.330 1.00 0.00 C ATOM 0 H LEU A 12 2.807 6.542 3.698 1.00 0.00 H new ATOM 0 HA LEU A 12 1.153 7.814 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.492 5.840 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.618 6.264 4.876 1.00 0.00 H new ATOM 0 HG LEU A 12 0.465 8.106 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.902 8.260 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.301 6.587 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.332 7.096 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.981 9.837 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.375 8.733 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.293 9.316 4.849 1.00 0.00 H new ATOM 146 N TYR A 13 0.875 5.696 7.207 1.00 0.00 N ATOM 147 CA TYR A 13 1.011 4.615 8.176 1.00 0.00 C ATOM 148 C TYR A 13 -0.323 3.907 8.394 1.00 0.00 C ATOM 149 O TYR A 13 -1.239 4.459 9.005 1.00 0.00 O ATOM 150 CB TYR A 13 1.538 5.157 9.506 1.00 0.00 C ATOM 151 CG TYR A 13 2.864 5.873 9.385 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.795 5.496 8.426 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.184 6.929 10.230 1.00 0.00 C ATOM 154 CE1 TYR A 13 5.008 6.147 8.313 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.394 7.587 10.124 1.00 0.00 C ATOM 156 CZ TYR A 13 5.303 7.192 9.164 1.00 0.00 C ATOM 157 OH TYR A 13 6.509 7.845 9.054 1.00 0.00 O ATOM 0 H TYR A 13 0.159 6.384 7.440 1.00 0.00 H new ATOM 0 HA TYR A 13 1.724 3.892 7.778 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.802 5.842 9.927 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.643 4.331 10.209 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.567 4.680 7.757 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.475 7.240 10.982 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.721 5.840 7.563 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.627 8.406 10.789 1.00 0.00 H new ATOM 0 HH TYR A 13 6.558 8.556 9.726 1.00 0.00 H new ATOM 167 N VAL A 14 -0.424 2.681 7.891 1.00 0.00 N ATOM 168 CA VAL A 14 -1.645 1.896 8.032 1.00 0.00 C ATOM 169 C VAL A 14 -1.568 0.973 9.243 1.00 0.00 C ATOM 170 O VAL A 14 -0.495 0.480 9.593 1.00 0.00 O ATOM 171 CB VAL A 14 -1.917 1.051 6.773 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.326 0.478 6.808 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.702 1.883 5.517 1.00 0.00 C ATOM 0 H VAL A 14 0.324 2.210 7.383 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.462 2.604 8.170 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.213 0.219 6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.500 -0.116 5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.440 -0.154 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.049 1.293 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.898 1.271 4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.381 2.736 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.672 2.239 5.489 1.00 0.00 H new ATOM 183 N TYR A 15 -2.711 0.742 9.878 1.00 0.00 N ATOM 184 CA TYR A 15 -2.774 -0.121 11.051 1.00 0.00 C ATOM 185 C TYR A 15 -4.018 -1.003 11.013 1.00 0.00 C ATOM 186 O TYR A 15 -4.876 -0.848 10.146 1.00 0.00 O ATOM 187 CB TYR A 15 -2.770 0.720 12.329 1.00 0.00 C ATOM 188 CG TYR A 15 -1.653 1.738 12.380 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.800 2.989 11.794 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.452 1.449 13.016 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.782 3.922 11.838 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.571 2.377 13.067 1.00 0.00 C ATOM 193 CZ TYR A 15 0.401 3.611 12.476 1.00 0.00 C ATOM 194 OH TYR A 15 1.417 4.539 12.523 1.00 0.00 O ATOM 0 H TYR A 15 -3.608 1.141 9.600 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.895 -0.765 11.044 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.726 1.237 12.417 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.686 0.057 13.190 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.726 3.236 11.296 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.315 0.483 13.478 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.912 4.889 11.376 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.498 2.137 13.567 1.00 0.00 H new ATOM 0 HH TYR A 15 2.181 4.164 13.009 1.00 0.00 H new ATOM 204 N ASN A 16 -4.107 -1.930 11.962 1.00 0.00 N ATOM 205 CA ASN A 16 -5.246 -2.838 12.038 1.00 0.00 C ATOM 206 C ASN A 16 -5.386 -3.645 10.751 1.00 0.00 C ATOM 207 O ASN A 16 -6.460 -3.697 10.151 1.00 0.00 O ATOM 208 CB ASN A 16 -6.532 -2.055 12.305 1.00 0.00 C ATOM 209 CG ASN A 16 -6.686 -1.675 13.765 1.00 0.00 C ATOM 210 OD1 ASN A 16 -5.779 -1.101 14.368 1.00 0.00 O ATOM 211 ND2 ASN A 16 -7.839 -1.996 14.341 1.00 0.00 N ATOM 0 H ASN A 16 -3.405 -2.072 12.688 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.072 -3.530 12.862 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.537 -1.152 11.695 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.389 -2.653 11.996 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.000 -1.767 15.322 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.563 -2.472 13.803 1.00 0.00 H new ATOM 218 N LEU A 17 -4.293 -4.273 10.331 1.00 0.00 N ATOM 219 CA LEU A 17 -4.293 -5.078 9.115 1.00 0.00 C ATOM 220 C LEU A 17 -4.659 -6.527 9.421 1.00 0.00 C ATOM 221 O LEU A 17 -4.413 -7.038 10.514 1.00 0.00 O ATOM 222 CB LEU A 17 -2.921 -5.019 8.440 1.00 0.00 C ATOM 223 CG LEU A 17 -2.648 -3.782 7.584 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.157 -3.632 7.324 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.415 -3.861 6.272 1.00 0.00 C ATOM 0 H LEU A 17 -3.396 -4.240 10.815 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.042 -4.668 8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.155 -5.078 9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.809 -5.903 7.812 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.991 -2.903 8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.981 -2.746 6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.631 -3.529 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.789 -4.513 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.209 -2.972 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.103 -4.748 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.484 -3.919 6.478 1.00 0.00 H new ATOM 237 N PRO A 18 -5.260 -7.207 8.433 1.00 0.00 N ATOM 238 CA PRO A 18 -5.670 -8.608 8.572 1.00 0.00 C ATOM 239 C PRO A 18 -4.479 -9.557 8.634 1.00 0.00 C ATOM 240 O PRO A 18 -4.036 -10.080 7.612 1.00 0.00 O ATOM 241 CB PRO A 18 -6.493 -8.863 7.307 1.00 0.00 C ATOM 242 CG PRO A 18 -5.977 -7.879 6.314 1.00 0.00 C ATOM 243 CD PRO A 18 -5.584 -6.662 7.104 1.00 0.00 C ATOM 0 HA PRO A 18 -6.220 -8.783 9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.367 -9.886 6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.557 -8.718 7.491 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.123 -8.284 5.770 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.739 -7.635 5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.729 -6.153 6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.396 -5.936 7.154 1.00 0.00 H new ATOM 251 N ALA A 19 -3.965 -9.777 9.840 1.00 0.00 N ATOM 252 CA ALA A 19 -2.827 -10.666 10.035 1.00 0.00 C ATOM 253 C ALA A 19 -3.075 -12.025 9.389 1.00 0.00 C ATOM 254 O ALA A 19 -2.243 -12.522 8.631 1.00 0.00 O ATOM 255 CB ALA A 19 -2.534 -10.830 11.519 1.00 0.00 C ATOM 0 H ALA A 19 -4.319 -9.351 10.697 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.959 -10.217 9.552 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.682 -11.497 11.650 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.304 -9.857 11.954 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.406 -11.254 12.017 1.00 0.00 H new ATOM 261 N ASN A 20 -4.223 -12.619 9.695 1.00 0.00 N ATOM 262 CA ASN A 20 -4.579 -13.922 9.144 1.00 0.00 C ATOM 263 C ASN A 20 -4.293 -13.976 7.646 1.00 0.00 C ATOM 264 O ASN A 20 -3.673 -14.920 7.155 1.00 0.00 O ATOM 265 CB ASN A 20 -6.057 -14.222 9.404 1.00 0.00 C ATOM 266 CG ASN A 20 -6.374 -14.331 10.883 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.196 -15.387 11.490 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.846 -13.237 11.469 1.00 0.00 N ATOM 0 H ASN A 20 -4.923 -12.220 10.321 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.969 -14.677 9.639 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.668 -13.435 8.961 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.329 -15.154 8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.077 -13.250 12.462 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.977 -12.384 10.926 1.00 0.00 H new ATOM 275 N LYS A 21 -4.748 -12.957 6.925 1.00 0.00 N ATOM 276 CA LYS A 21 -4.541 -12.886 5.484 1.00 0.00 C ATOM 277 C LYS A 21 -3.054 -12.823 5.151 1.00 0.00 C ATOM 278 O LYS A 21 -2.359 -11.885 5.545 1.00 0.00 O ATOM 279 CB LYS A 21 -5.257 -11.664 4.905 1.00 0.00 C ATOM 280 CG LYS A 21 -6.757 -11.668 5.142 1.00 0.00 C ATOM 281 CD LYS A 21 -7.497 -12.374 4.018 1.00 0.00 C ATOM 282 CE LYS A 21 -7.158 -13.856 3.971 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.287 -14.666 3.437 1.00 0.00 N ATOM 0 H LYS A 21 -5.263 -12.168 7.316 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.957 -13.789 5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.831 -10.762 5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.067 -11.617 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.975 -12.162 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.116 -10.642 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.571 -12.250 4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.241 -11.911 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.276 -14.007 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.904 -14.203 4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.017 -15.670 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.121 -14.542 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.513 -14.353 2.471 1.00 0.00 H new ATOM 297 N ASP A 22 -2.572 -13.824 4.423 1.00 0.00 N ATOM 298 CA ASP A 22 -1.167 -13.880 4.035 1.00 0.00 C ATOM 299 C ASP A 22 -0.678 -12.514 3.564 1.00 0.00 C ATOM 300 O ASP A 22 -1.228 -11.936 2.627 1.00 0.00 O ATOM 301 CB ASP A 22 -0.963 -14.918 2.930 1.00 0.00 C ATOM 302 CG ASP A 22 -0.983 -16.338 3.458 1.00 0.00 C ATOM 303 OD1 ASP A 22 -2.090 -16.872 3.686 1.00 0.00 O ATOM 304 OD2 ASP A 22 0.107 -16.918 3.644 1.00 0.00 O ATOM 0 H ASP A 22 -3.133 -14.608 4.090 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.585 -14.172 4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.744 -14.802 2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.011 -14.732 2.432 1.00 0.00 H new ATOM 309 N GLY A 23 0.358 -12.003 4.222 1.00 0.00 N ATOM 310 CA GLY A 23 0.902 -10.708 3.857 1.00 0.00 C ATOM 311 C GLY A 23 0.925 -10.490 2.357 1.00 0.00 C ATOM 312 O GLY A 23 0.685 -9.381 1.879 1.00 0.00 O ATOM 0 H GLY A 23 0.830 -12.462 5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.309 -9.923 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.915 -10.619 4.249 1.00 0.00 H new ATOM 316 N LYS A 24 1.216 -11.551 1.611 1.00 0.00 N ATOM 317 CA LYS A 24 1.271 -11.472 0.156 1.00 0.00 C ATOM 318 C LYS A 24 -0.044 -10.944 -0.409 1.00 0.00 C ATOM 319 O LYS A 24 -0.053 -10.039 -1.244 1.00 0.00 O ATOM 320 CB LYS A 24 1.578 -12.848 -0.438 1.00 0.00 C ATOM 321 CG LYS A 24 3.053 -13.208 -0.409 1.00 0.00 C ATOM 322 CD LYS A 24 3.440 -13.873 0.901 1.00 0.00 C ATOM 323 CE LYS A 24 4.831 -14.483 0.828 1.00 0.00 C ATOM 324 NZ LYS A 24 5.016 -15.565 1.834 1.00 0.00 N ATOM 0 H LYS A 24 1.417 -12.476 1.991 1.00 0.00 H new ATOM 0 HA LYS A 24 2.068 -10.780 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.017 -13.605 0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.226 -12.876 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.281 -13.877 -1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.651 -12.308 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.405 -13.139 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.714 -14.649 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.000 -14.884 -0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.577 -13.705 0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.977 -15.955 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.880 -15.178 2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.321 -16.319 1.664 1.00 0.00 H new ATOM 338 N SER A 25 -1.153 -11.515 0.051 1.00 0.00 N ATOM 339 CA SER A 25 -2.473 -11.103 -0.411 1.00 0.00 C ATOM 340 C SER A 25 -2.794 -9.685 0.054 1.00 0.00 C ATOM 341 O SER A 25 -3.285 -8.862 -0.718 1.00 0.00 O ATOM 342 CB SER A 25 -3.541 -12.073 0.099 1.00 0.00 C ATOM 343 OG SER A 25 -3.294 -13.390 -0.361 1.00 0.00 O ATOM 0 H SER A 25 -1.163 -12.264 0.743 1.00 0.00 H new ATOM 0 HA SER A 25 -2.470 -11.117 -1.501 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.556 -12.062 1.189 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.525 -11.745 -0.237 1.00 0.00 H new ATOM 0 HG SER A 25 -3.989 -13.991 -0.020 1.00 0.00 H new ATOM 349 N VAL A 26 -2.511 -9.408 1.323 1.00 0.00 N ATOM 350 CA VAL A 26 -2.768 -8.090 1.893 1.00 0.00 C ATOM 351 C VAL A 26 -2.130 -6.993 1.048 1.00 0.00 C ATOM 352 O VAL A 26 -2.826 -6.179 0.440 1.00 0.00 O ATOM 353 CB VAL A 26 -2.235 -7.989 3.334 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.515 -6.609 3.911 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.848 -9.074 4.206 1.00 0.00 C ATOM 0 H VAL A 26 -2.104 -10.078 1.976 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.849 -7.954 1.903 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.155 -8.137 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.131 -6.556 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.025 -5.852 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.590 -6.429 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.460 -8.988 5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.932 -8.960 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.592 -10.053 3.802 1.00 0.00 H new ATOM 365 N SER A 27 -0.801 -6.976 1.015 1.00 0.00 N ATOM 366 CA SER A 27 -0.068 -5.976 0.248 1.00 0.00 C ATOM 367 C SER A 27 -0.791 -5.656 -1.057 1.00 0.00 C ATOM 368 O SER A 27 -1.285 -4.546 -1.249 1.00 0.00 O ATOM 369 CB SER A 27 1.350 -6.469 -0.049 1.00 0.00 C ATOM 370 OG SER A 27 1.854 -7.247 1.023 1.00 0.00 O ATOM 0 H SER A 27 -0.210 -7.644 1.511 1.00 0.00 H new ATOM 0 HA SER A 27 -0.011 -5.066 0.845 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.348 -7.062 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.006 -5.616 -0.223 1.00 0.00 H new ATOM 0 HG SER A 27 1.517 -8.164 0.948 1.00 0.00 H new ATOM 376 N ASN A 28 -0.847 -6.638 -1.951 1.00 0.00 N ATOM 377 CA ASN A 28 -1.509 -6.461 -3.239 1.00 0.00 C ATOM 378 C ASN A 28 -2.773 -5.620 -3.091 1.00 0.00 C ATOM 379 O ASN A 28 -2.923 -4.587 -3.743 1.00 0.00 O ATOM 380 CB ASN A 28 -1.856 -7.821 -3.848 1.00 0.00 C ATOM 381 CG ASN A 28 -2.065 -7.747 -5.348 1.00 0.00 C ATOM 382 OD1 ASN A 28 -1.610 -6.809 -6.004 1.00 0.00 O ATOM 383 ND2 ASN A 28 -2.757 -8.737 -5.899 1.00 0.00 N ATOM 0 H ASN A 28 -0.443 -7.563 -1.808 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.822 -5.937 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.056 -8.528 -3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.760 -8.207 -3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.930 -8.740 -6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.115 -9.494 -5.317 1.00 0.00 H new ATOM 390 N ARG A 29 -3.679 -6.070 -2.229 1.00 0.00 N ATOM 391 CA ARG A 29 -4.930 -5.360 -1.995 1.00 0.00 C ATOM 392 C ARG A 29 -4.676 -3.873 -1.765 1.00 0.00 C ATOM 393 O ARG A 29 -5.445 -3.024 -2.217 1.00 0.00 O ATOM 394 CB ARG A 29 -5.662 -5.956 -0.792 1.00 0.00 C ATOM 395 CG ARG A 29 -6.897 -5.171 -0.380 1.00 0.00 C ATOM 396 CD ARG A 29 -7.896 -5.065 -1.523 1.00 0.00 C ATOM 397 NE ARG A 29 -8.347 -6.377 -1.979 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.020 -6.571 -3.107 1.00 0.00 C ATOM 399 NH1 ARG A 29 -9.317 -5.543 -3.891 1.00 0.00 N ATOM 400 NH2 ARG A 29 -9.397 -7.795 -3.454 1.00 0.00 N ATOM 0 H ARG A 29 -3.570 -6.923 -1.681 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.554 -5.471 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.954 -6.980 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.975 -6.006 0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.370 -5.656 0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.604 -4.172 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.756 -4.478 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.439 -4.529 -2.355 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.133 -7.189 -1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.028 -4.601 -3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.834 -5.695 -4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.170 -8.588 -2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.914 -7.943 -4.321 1.00 0.00 H new ATOM 414 N LEU A 30 -3.594 -3.565 -1.059 1.00 0.00 N ATOM 415 CA LEU A 30 -3.238 -2.181 -0.768 1.00 0.00 C ATOM 416 C LEU A 30 -2.601 -1.515 -1.983 1.00 0.00 C ATOM 417 O LEU A 30 -2.884 -0.357 -2.289 1.00 0.00 O ATOM 418 CB LEU A 30 -2.280 -2.119 0.423 1.00 0.00 C ATOM 419 CG LEU A 30 -2.889 -2.432 1.791 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.973 -3.935 2.007 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.076 -1.777 2.898 1.00 0.00 C ATOM 0 H LEU A 30 -2.948 -4.256 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.152 -1.642 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.463 -2.817 0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.844 -1.121 0.461 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.900 -2.025 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.409 -4.138 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.598 -4.380 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.973 -4.366 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.523 -2.010 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.054 -2.154 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.068 -0.697 2.753 1.00 0.00 H new ATOM 433 N ARG A 31 -1.741 -2.256 -2.674 1.00 0.00 N ATOM 434 CA ARG A 31 -1.064 -1.738 -3.857 1.00 0.00 C ATOM 435 C ARG A 31 -2.030 -0.947 -4.734 1.00 0.00 C ATOM 436 O ARG A 31 -1.735 0.176 -5.143 1.00 0.00 O ATOM 437 CB ARG A 31 -0.449 -2.885 -4.662 1.00 0.00 C ATOM 438 CG ARG A 31 0.833 -3.435 -4.058 1.00 0.00 C ATOM 439 CD ARG A 31 1.386 -4.588 -4.880 1.00 0.00 C ATOM 440 NE ARG A 31 2.253 -4.125 -5.959 1.00 0.00 N ATOM 441 CZ ARG A 31 2.715 -4.916 -6.922 1.00 0.00 C ATOM 442 NH1 ARG A 31 2.394 -6.202 -6.939 1.00 0.00 N ATOM 443 NH2 ARG A 31 3.500 -4.420 -7.869 1.00 0.00 N ATOM 0 H ARG A 31 -1.497 -3.217 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.270 -1.069 -3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.177 -3.692 -4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.244 -2.538 -5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.577 -2.641 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.641 -3.772 -3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.945 -5.261 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.560 -5.162 -5.300 1.00 0.00 H new ATOM 0 HE ARG A 31 2.519 -3.140 -5.975 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.791 -6.587 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.750 -6.807 -7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.749 -3.431 -7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.854 -5.028 -8.608 1.00 0.00 H new ATOM 457 N ARG A 32 -3.184 -1.542 -5.019 1.00 0.00 N ATOM 458 CA ARG A 32 -4.193 -0.894 -5.848 1.00 0.00 C ATOM 459 C ARG A 32 -4.614 0.444 -5.247 1.00 0.00 C ATOM 460 O ARG A 32 -4.657 1.462 -5.939 1.00 0.00 O ATOM 461 CB ARG A 32 -5.414 -1.802 -6.006 1.00 0.00 C ATOM 462 CG ARG A 32 -5.318 -2.752 -7.188 1.00 0.00 C ATOM 463 CD ARG A 32 -5.901 -2.133 -8.449 1.00 0.00 C ATOM 464 NE ARG A 32 -7.300 -1.750 -8.274 1.00 0.00 N ATOM 465 CZ ARG A 32 -8.035 -1.195 -9.231 1.00 0.00 C ATOM 466 NH1 ARG A 32 -7.507 -0.960 -10.425 1.00 0.00 N ATOM 467 NH2 ARG A 32 -9.300 -0.874 -8.995 1.00 0.00 N ATOM 0 H ARG A 32 -3.443 -2.471 -4.688 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.757 -0.710 -6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.544 -2.383 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.304 -1.183 -6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.275 -3.016 -7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.847 -3.677 -6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.317 -1.255 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.820 -2.843 -9.272 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.736 -1.918 -7.367 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.534 -1.206 -10.610 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.074 -0.534 -11.158 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.709 -1.053 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.864 -0.448 -9.730 1.00 0.00 H new ATOM 481 N LEU A 33 -4.924 0.434 -3.955 1.00 0.00 N ATOM 482 CA LEU A 33 -5.342 1.646 -3.260 1.00 0.00 C ATOM 483 C LEU A 33 -4.252 2.711 -3.317 1.00 0.00 C ATOM 484 O LEU A 33 -4.532 3.907 -3.232 1.00 0.00 O ATOM 485 CB LEU A 33 -5.686 1.330 -1.803 1.00 0.00 C ATOM 486 CG LEU A 33 -7.054 0.692 -1.560 1.00 0.00 C ATOM 487 CD1 LEU A 33 -7.018 -0.195 -0.325 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.125 1.764 -1.417 1.00 0.00 C ATOM 0 H LEU A 33 -4.894 -0.400 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.229 2.034 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.921 0.663 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.632 2.255 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.302 0.071 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.000 -0.640 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.280 -0.985 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.748 0.403 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.092 1.291 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.882 2.411 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.169 2.358 -2.330 1.00 0.00 H new ATOM 500 N SER A 34 -3.007 2.268 -3.464 1.00 0.00 N ATOM 501 CA SER A 34 -1.873 3.183 -3.531 1.00 0.00 C ATOM 502 C SER A 34 -1.599 3.603 -4.972 1.00 0.00 C ATOM 503 O SER A 34 -1.097 4.698 -5.226 1.00 0.00 O ATOM 504 CB SER A 34 -0.627 2.529 -2.932 1.00 0.00 C ATOM 505 OG SER A 34 0.344 3.502 -2.587 1.00 0.00 O ATOM 0 H SER A 34 -2.758 1.282 -3.539 1.00 0.00 H new ATOM 0 HA SER A 34 -2.121 4.073 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.903 1.956 -2.047 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.202 1.825 -3.648 1.00 0.00 H new ATOM 0 HG SER A 34 -0.033 4.121 -1.928 1.00 0.00 H new ATOM 511 N ASP A 35 -1.931 2.724 -5.911 1.00 0.00 N ATOM 512 CA ASP A 35 -1.721 3.002 -7.327 1.00 0.00 C ATOM 513 C ASP A 35 -2.629 4.134 -7.798 1.00 0.00 C ATOM 514 O ASP A 35 -2.205 5.010 -8.550 1.00 0.00 O ATOM 515 CB ASP A 35 -1.979 1.745 -8.159 1.00 0.00 C ATOM 516 CG ASP A 35 -2.238 2.060 -9.619 1.00 0.00 C ATOM 517 OD1 ASP A 35 -3.266 2.705 -9.913 1.00 0.00 O ATOM 518 OD2 ASP A 35 -1.413 1.661 -10.468 1.00 0.00 O ATOM 0 H ASP A 35 -2.347 1.813 -5.717 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.684 3.311 -7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.120 1.079 -8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.835 1.210 -7.748 1.00 0.00 H new ATOM 523 N ASN A 36 -3.880 4.108 -7.351 1.00 0.00 N ATOM 524 CA ASN A 36 -4.848 5.131 -7.728 1.00 0.00 C ATOM 525 C ASN A 36 -4.592 6.429 -6.969 1.00 0.00 C ATOM 526 O ASN A 36 -4.821 7.521 -7.490 1.00 0.00 O ATOM 527 CB ASN A 36 -6.272 4.640 -7.457 1.00 0.00 C ATOM 528 CG ASN A 36 -7.322 5.531 -8.093 1.00 0.00 C ATOM 529 OD1 ASN A 36 -7.116 6.734 -8.254 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.454 4.942 -8.459 1.00 0.00 N ATOM 0 H ASN A 36 -4.247 3.389 -6.727 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.735 5.327 -8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.382 3.625 -7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.440 4.597 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.197 5.490 -8.893 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.581 3.942 -8.306 1.00 0.00 H new ATOM 537 N CYS A 37 -4.116 6.302 -5.735 1.00 0.00 N ATOM 538 CA CYS A 37 -3.829 7.464 -4.903 1.00 0.00 C ATOM 539 C CYS A 37 -2.377 7.903 -5.064 1.00 0.00 C ATOM 540 O CYS A 37 -1.824 8.584 -4.202 1.00 0.00 O ATOM 541 CB CYS A 37 -4.120 7.151 -3.434 1.00 0.00 C ATOM 542 SG CYS A 37 -5.785 6.514 -3.131 1.00 0.00 S ATOM 0 H CYS A 37 -3.921 5.406 -5.289 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.475 8.280 -5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.393 6.421 -3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.976 8.057 -2.845 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.751 5.215 -3.086 1.00 0.00 H new ATOM 548 N GLY A 38 -1.764 7.505 -6.174 1.00 0.00 N ATOM 549 CA GLY A 38 -0.381 7.864 -6.427 1.00 0.00 C ATOM 550 C GLY A 38 0.525 7.549 -5.253 1.00 0.00 C ATOM 551 O GLY A 38 0.970 8.450 -4.544 1.00 0.00 O ATOM 0 H GLY A 38 -2.200 6.940 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.026 7.331 -7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.321 8.929 -6.653 1.00 0.00 H new ATOM 555 N GLY A 39 0.797 6.264 -5.046 1.00 0.00 N ATOM 556 CA GLY A 39 1.652 5.854 -3.947 1.00 0.00 C ATOM 557 C GLY A 39 2.251 4.478 -4.161 1.00 0.00 C ATOM 558 O GLY A 39 1.981 3.824 -5.168 1.00 0.00 O ATOM 0 H GLY A 39 0.441 5.500 -5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.455 6.581 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.076 5.856 -3.022 1.00 0.00 H new ATOM 562 N LYS A 40 3.069 4.037 -3.211 1.00 0.00 N ATOM 563 CA LYS A 40 3.709 2.730 -3.298 1.00 0.00 C ATOM 564 C LYS A 40 3.961 2.154 -1.908 1.00 0.00 C ATOM 565 O LYS A 40 4.622 2.777 -1.077 1.00 0.00 O ATOM 566 CB LYS A 40 5.029 2.837 -4.065 1.00 0.00 C ATOM 567 CG LYS A 40 5.654 1.491 -4.391 1.00 0.00 C ATOM 568 CD LYS A 40 6.832 1.638 -5.339 1.00 0.00 C ATOM 569 CE LYS A 40 8.122 1.919 -4.586 1.00 0.00 C ATOM 570 NZ LYS A 40 9.307 1.904 -5.488 1.00 0.00 N ATOM 0 H LYS A 40 3.304 4.566 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 40 3.038 2.059 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.857 3.383 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.735 3.423 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.985 1.010 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.904 0.840 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.944 0.727 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.636 2.448 -6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.052 2.890 -4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.254 1.174 -3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.166 2.100 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.390 0.970 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.194 2.632 -6.222 1.00 0.00 H new ATOM 584 N VAL A 41 3.431 0.960 -1.663 1.00 0.00 N ATOM 585 CA VAL A 41 3.601 0.298 -0.375 1.00 0.00 C ATOM 586 C VAL A 41 5.065 -0.041 -0.120 1.00 0.00 C ATOM 587 O VAL A 41 5.561 -1.077 -0.564 1.00 0.00 O ATOM 588 CB VAL A 41 2.765 -0.993 -0.293 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.898 -1.798 -1.576 1.00 0.00 C ATOM 590 CG2 VAL A 41 3.183 -1.822 0.912 1.00 0.00 C ATOM 0 H VAL A 41 2.880 0.431 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 41 3.255 0.996 0.387 1.00 0.00 H new ATOM 0 HB VAL A 41 1.717 -0.719 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.300 -2.706 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.546 -1.202 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.944 -2.064 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.582 -2.730 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.236 -2.087 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.030 -1.243 1.823 1.00 0.00 H new ATOM 600 N LEU A 42 5.754 0.839 0.598 1.00 0.00 N ATOM 601 CA LEU A 42 7.163 0.634 0.914 1.00 0.00 C ATOM 602 C LEU A 42 7.382 -0.727 1.567 1.00 0.00 C ATOM 603 O LEU A 42 8.237 -1.502 1.138 1.00 0.00 O ATOM 604 CB LEU A 42 7.665 1.743 1.840 1.00 0.00 C ATOM 605 CG LEU A 42 7.757 3.140 1.226 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.746 3.999 1.998 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.155 3.053 -0.241 1.00 0.00 C ATOM 0 H LEU A 42 5.359 1.702 0.973 1.00 0.00 H new ATOM 0 HA LEU A 42 7.727 0.664 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.005 1.792 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.653 1.463 2.207 1.00 0.00 H new ATOM 0 HG LEU A 42 6.775 3.608 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.798 4.990 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.418 4.089 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.732 3.535 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.216 4.057 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.126 2.565 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.409 2.475 -0.787 1.00 0.00 H new ATOM 619 N SER A 43 6.602 -1.012 2.605 1.00 0.00 N ATOM 620 CA SER A 43 6.712 -2.279 3.318 1.00 0.00 C ATOM 621 C SER A 43 5.485 -2.518 4.193 1.00 0.00 C ATOM 622 O SER A 43 4.652 -1.629 4.368 1.00 0.00 O ATOM 623 CB SER A 43 7.977 -2.297 4.178 1.00 0.00 C ATOM 624 OG SER A 43 9.092 -2.760 3.435 1.00 0.00 O ATOM 0 H SER A 43 5.887 -0.383 2.971 1.00 0.00 H new ATOM 0 HA SER A 43 6.772 -3.079 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.178 -1.294 4.555 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.822 -2.939 5.045 1.00 0.00 H new ATOM 0 HG SER A 43 9.038 -2.420 2.518 1.00 0.00 H new ATOM 630 N ILE A 44 5.382 -3.725 4.740 1.00 0.00 N ATOM 631 CA ILE A 44 4.259 -4.081 5.597 1.00 0.00 C ATOM 632 C ILE A 44 4.725 -4.875 6.813 1.00 0.00 C ATOM 633 O ILE A 44 5.077 -6.050 6.704 1.00 0.00 O ATOM 634 CB ILE A 44 3.206 -4.906 4.833 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.667 -4.108 3.644 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.073 -5.311 5.764 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.213 -4.974 2.491 1.00 0.00 C ATOM 0 H ILE A 44 6.063 -4.472 4.605 1.00 0.00 H new ATOM 0 HA ILE A 44 3.807 -3.146 5.927 1.00 0.00 H new ATOM 0 HB ILE A 44 3.680 -5.812 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.830 -3.494 3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.442 -3.427 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.337 -5.893 5.210 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.471 -5.913 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.598 -4.418 6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.843 -4.341 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.052 -5.569 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.416 -5.637 2.826 1.00 0.00 H new ATOM 649 N THR A 45 4.724 -4.226 7.973 1.00 0.00 N ATOM 650 CA THR A 45 5.146 -4.870 9.210 1.00 0.00 C ATOM 651 C THR A 45 3.954 -5.155 10.116 1.00 0.00 C ATOM 652 O THR A 45 3.083 -4.306 10.298 1.00 0.00 O ATOM 653 CB THR A 45 6.164 -4.004 9.976 1.00 0.00 C ATOM 654 OG1 THR A 45 5.487 -2.940 10.656 1.00 0.00 O ATOM 655 CG2 THR A 45 7.205 -3.426 9.029 1.00 0.00 C ATOM 0 H THR A 45 4.435 -3.254 8.081 1.00 0.00 H new ATOM 0 HA THR A 45 5.619 -5.811 8.930 1.00 0.00 H new ATOM 0 HB THR A 45 6.671 -4.637 10.704 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.140 -2.395 11.142 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.913 -2.818 9.593 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.738 -4.238 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.712 -2.807 8.280 1.00 0.00 H new ATOM 663 N GLY A 46 3.922 -6.357 10.684 1.00 0.00 N ATOM 664 CA GLY A 46 2.832 -6.733 11.565 1.00 0.00 C ATOM 665 C GLY A 46 1.480 -6.299 11.033 1.00 0.00 C ATOM 666 O GLY A 46 1.212 -6.412 9.836 1.00 0.00 O ATOM 0 H GLY A 46 4.632 -7.077 10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.835 -7.814 11.701 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.993 -6.288 12.547 1.00 0.00 H new ATOM 670 N CYS A 47 0.627 -5.804 11.922 1.00 0.00 N ATOM 671 CA CYS A 47 -0.706 -5.355 11.535 1.00 0.00 C ATOM 672 C CYS A 47 -0.671 -3.913 11.041 1.00 0.00 C ATOM 673 O CYS A 47 -1.691 -3.224 11.031 1.00 0.00 O ATOM 674 CB CYS A 47 -1.671 -5.479 12.715 1.00 0.00 C ATOM 675 SG CYS A 47 -1.041 -4.783 14.260 1.00 0.00 S ATOM 0 H CYS A 47 0.834 -5.703 12.916 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.055 -5.991 10.721 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.606 -4.981 12.459 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.903 -6.532 12.872 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.807 -3.514 14.101 1.00 0.00 H new ATOM 681 N SER A 48 0.511 -3.461 10.632 1.00 0.00 N ATOM 682 CA SER A 48 0.680 -2.098 10.141 1.00 0.00 C ATOM 683 C SER A 48 1.400 -2.091 8.796 1.00 0.00 C ATOM 684 O SER A 48 1.965 -3.101 8.377 1.00 0.00 O ATOM 685 CB SER A 48 1.462 -1.262 11.156 1.00 0.00 C ATOM 686 OG SER A 48 2.679 -1.896 11.509 1.00 0.00 O ATOM 0 H SER A 48 1.365 -4.019 10.631 1.00 0.00 H new ATOM 0 HA SER A 48 -0.309 -1.661 10.006 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.669 -0.277 10.738 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.856 -1.108 12.049 1.00 0.00 H new ATOM 0 HG SER A 48 2.781 -2.721 10.990 1.00 0.00 H new ATOM 692 N ALA A 49 1.375 -0.944 8.125 1.00 0.00 N ATOM 693 CA ALA A 49 2.027 -0.803 6.829 1.00 0.00 C ATOM 694 C ALA A 49 2.480 0.634 6.595 1.00 0.00 C ATOM 695 O ALA A 49 1.972 1.564 7.223 1.00 0.00 O ATOM 696 CB ALA A 49 1.090 -1.251 5.716 1.00 0.00 C ATOM 0 H ALA A 49 0.910 -0.099 8.458 1.00 0.00 H new ATOM 0 HA ALA A 49 2.912 -1.440 6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.589 -1.140 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.820 -2.296 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.189 -0.638 5.730 1.00 0.00 H new ATOM 702 N ILE A 50 3.437 0.808 5.691 1.00 0.00 N ATOM 703 CA ILE A 50 3.957 2.132 5.375 1.00 0.00 C ATOM 704 C ILE A 50 3.978 2.371 3.869 1.00 0.00 C ATOM 705 O ILE A 50 4.581 1.605 3.116 1.00 0.00 O ATOM 706 CB ILE A 50 5.380 2.326 5.933 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.363 2.273 7.462 1.00 0.00 C ATOM 708 CG2 ILE A 50 5.963 3.645 5.449 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.743 2.279 8.082 1.00 0.00 C ATOM 0 H ILE A 50 3.868 0.049 5.164 1.00 0.00 H new ATOM 0 HA ILE A 50 3.288 2.853 5.845 1.00 0.00 H new ATOM 0 HB ILE A 50 6.012 1.516 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.800 3.126 7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.834 1.375 7.781 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.968 3.768 5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.005 3.646 4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.333 4.467 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.654 2.240 9.168 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.303 1.412 7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.268 3.190 7.793 1.00 0.00 H new ATOM 721 N LEU A 51 3.316 3.438 3.435 1.00 0.00 N ATOM 722 CA LEU A 51 3.259 3.779 2.018 1.00 0.00 C ATOM 723 C LEU A 51 4.033 5.063 1.736 1.00 0.00 C ATOM 724 O LEU A 51 4.255 5.876 2.633 1.00 0.00 O ATOM 725 CB LEU A 51 1.805 3.938 1.570 1.00 0.00 C ATOM 726 CG LEU A 51 0.985 2.651 1.481 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.294 2.365 2.805 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.033 2.744 0.354 1.00 0.00 C ATOM 0 H LEU A 51 2.811 4.082 4.044 1.00 0.00 H new ATOM 0 HA LEU A 51 3.720 2.967 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.305 4.616 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.798 4.418 0.591 1.00 0.00 H new ATOM 0 HG LEU A 51 1.663 1.825 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.285 1.445 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.043 2.253 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.372 3.191 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.608 1.819 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.707 3.580 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.485 2.899 -0.592 1.00 0.00 H new ATOM 740 N ARG A 52 4.440 5.238 0.483 1.00 0.00 N ATOM 741 CA ARG A 52 5.189 6.423 0.082 1.00 0.00 C ATOM 742 C ARG A 52 4.448 7.192 -1.009 1.00 0.00 C ATOM 743 O ARG A 52 4.116 6.637 -2.057 1.00 0.00 O ATOM 744 CB ARG A 52 6.582 6.029 -0.413 1.00 0.00 C ATOM 745 CG ARG A 52 7.247 7.094 -1.270 1.00 0.00 C ATOM 746 CD ARG A 52 8.758 7.085 -1.096 1.00 0.00 C ATOM 747 NE ARG A 52 9.409 6.154 -2.013 1.00 0.00 N ATOM 748 CZ ARG A 52 9.737 6.461 -3.263 1.00 0.00 C ATOM 749 NH1 ARG A 52 9.475 7.669 -3.742 1.00 0.00 N ATOM 750 NH2 ARG A 52 10.327 5.559 -4.036 1.00 0.00 N ATOM 0 H ARG A 52 4.264 4.575 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 52 5.290 7.070 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.218 5.817 0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.506 5.106 -0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.999 6.926 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.855 8.075 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.148 8.089 -1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.003 6.813 -0.069 1.00 0.00 H new ATOM 0 HE ARG A 52 9.624 5.216 -1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.021 8.365 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.728 7.903 -4.702 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.529 4.628 -3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.578 5.796 -4.996 1.00 0.00 H new ATOM 764 N PHE A 53 4.192 8.470 -0.754 1.00 0.00 N ATOM 765 CA PHE A 53 3.488 9.315 -1.713 1.00 0.00 C ATOM 766 C PHE A 53 4.355 10.498 -2.134 1.00 0.00 C ATOM 767 O PHE A 53 5.173 10.989 -1.356 1.00 0.00 O ATOM 768 CB PHE A 53 2.174 9.819 -1.114 1.00 0.00 C ATOM 769 CG PHE A 53 1.209 8.719 -0.776 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.374 7.962 0.373 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.135 8.441 -1.607 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.487 6.950 0.687 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.755 7.431 -1.298 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.578 6.683 -0.150 1.00 0.00 C ATOM 0 H PHE A 53 4.461 8.944 0.108 1.00 0.00 H new ATOM 0 HA PHE A 53 3.269 8.714 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.391 10.391 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.701 10.503 -1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.206 8.165 1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.008 9.021 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.627 6.368 1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.589 7.226 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.271 5.891 0.092 1.00 0.00 H new ATOM 784 N ILE A 54 4.170 10.948 -3.371 1.00 0.00 N ATOM 785 CA ILE A 54 4.934 12.073 -3.895 1.00 0.00 C ATOM 786 C ILE A 54 4.735 13.320 -3.040 1.00 0.00 C ATOM 787 O ILE A 54 5.692 14.020 -2.713 1.00 0.00 O ATOM 788 CB ILE A 54 4.538 12.394 -5.349 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.280 13.639 -5.840 1.00 0.00 C ATOM 790 CG2 ILE A 54 3.034 12.590 -5.457 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.552 13.632 -7.328 1.00 0.00 C ATOM 0 H ILE A 54 3.498 10.551 -4.028 1.00 0.00 H new ATOM 0 HA ILE A 54 5.984 11.780 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 54 4.821 11.553 -5.981 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.694 14.524 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.227 13.722 -5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.770 12.816 -6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.525 11.679 -5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.728 13.416 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.080 14.544 -7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.164 12.767 -7.582 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.608 13.580 -7.870 1.00 0.00 H new ATOM 803 N ASN A 55 3.485 13.589 -2.678 1.00 0.00 N ATOM 804 CA ASN A 55 3.160 14.751 -1.859 1.00 0.00 C ATOM 805 C ASN A 55 2.041 14.426 -0.874 1.00 0.00 C ATOM 806 O ASN A 55 1.515 13.314 -0.863 1.00 0.00 O ATOM 807 CB ASN A 55 2.748 15.928 -2.746 1.00 0.00 C ATOM 808 CG ASN A 55 1.651 15.557 -3.726 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.618 15.010 -3.341 1.00 0.00 O ATOM 810 ND2 ASN A 55 1.873 15.853 -5.002 1.00 0.00 N ATOM 0 H ASN A 55 2.681 13.018 -2.939 1.00 0.00 H new ATOM 0 HA ASN A 55 4.050 15.026 -1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.407 16.751 -2.118 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.618 16.286 -3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.172 15.626 -5.708 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.744 16.307 -5.276 1.00 0.00 H new ATOM 817 N GLN A 56 1.683 15.405 -0.050 1.00 0.00 N ATOM 818 CA GLN A 56 0.626 15.223 0.939 1.00 0.00 C ATOM 819 C GLN A 56 -0.676 14.795 0.271 1.00 0.00 C ATOM 820 O GLN A 56 -1.172 13.693 0.505 1.00 0.00 O ATOM 821 CB GLN A 56 0.408 16.515 1.728 1.00 0.00 C ATOM 822 CG GLN A 56 -0.612 16.381 2.846 1.00 0.00 C ATOM 823 CD GLN A 56 0.014 15.951 4.159 1.00 0.00 C ATOM 824 OE1 GLN A 56 1.219 15.711 4.236 1.00 0.00 O ATOM 825 NE2 GLN A 56 -0.803 15.852 5.200 1.00 0.00 N ATOM 0 H GLN A 56 2.109 16.332 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 56 0.937 14.435 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.359 16.837 2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.083 17.298 1.043 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.120 17.335 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.371 15.655 2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.795 16.061 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.438 15.567 6.109 1.00 0.00 H new ATOM 834 N ASP A 57 -1.225 15.674 -0.560 1.00 0.00 N ATOM 835 CA ASP A 57 -2.470 15.387 -1.263 1.00 0.00 C ATOM 836 C ASP A 57 -2.566 13.906 -1.617 1.00 0.00 C ATOM 837 O ASP A 57 -3.391 13.178 -1.066 1.00 0.00 O ATOM 838 CB ASP A 57 -2.572 16.235 -2.532 1.00 0.00 C ATOM 839 CG ASP A 57 -4.008 16.479 -2.952 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.892 16.484 -2.069 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.248 16.667 -4.162 1.00 0.00 O ATOM 0 H ASP A 57 -0.828 16.591 -0.763 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.298 15.638 -0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.077 17.192 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.039 15.737 -3.342 1.00 0.00 H new ATOM 846 N SER A 58 -1.717 13.468 -2.541 1.00 0.00 N ATOM 847 CA SER A 58 -1.709 12.075 -2.972 1.00 0.00 C ATOM 848 C SER A 58 -1.865 11.136 -1.780 1.00 0.00 C ATOM 849 O SER A 58 -2.681 10.215 -1.803 1.00 0.00 O ATOM 850 CB SER A 58 -0.412 11.757 -3.719 1.00 0.00 C ATOM 851 OG SER A 58 -0.450 12.260 -5.043 1.00 0.00 O ATOM 0 H SER A 58 -1.026 14.057 -3.005 1.00 0.00 H new ATOM 0 HA SER A 58 -2.554 11.924 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.434 12.191 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.256 10.678 -3.741 1.00 0.00 H new ATOM 0 HG SER A 58 0.391 12.045 -5.499 1.00 0.00 H new ATOM 857 N ALA A 59 -1.075 11.376 -0.738 1.00 0.00 N ATOM 858 CA ALA A 59 -1.126 10.555 0.465 1.00 0.00 C ATOM 859 C ALA A 59 -2.500 10.630 1.123 1.00 0.00 C ATOM 860 O ALA A 59 -3.011 9.631 1.628 1.00 0.00 O ATOM 861 CB ALA A 59 -0.045 10.986 1.445 1.00 0.00 C ATOM 0 H ALA A 59 -0.392 12.133 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.946 9.519 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.095 10.364 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.934 10.874 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.198 12.030 1.720 1.00 0.00 H new ATOM 867 N GLU A 60 -3.091 11.820 1.114 1.00 0.00 N ATOM 868 CA GLU A 60 -4.405 12.025 1.713 1.00 0.00 C ATOM 869 C GLU A 60 -5.446 11.119 1.061 1.00 0.00 C ATOM 870 O GLU A 60 -5.981 10.212 1.699 1.00 0.00 O ATOM 871 CB GLU A 60 -4.830 13.488 1.577 1.00 0.00 C ATOM 872 CG GLU A 60 -3.949 14.452 2.355 1.00 0.00 C ATOM 873 CD GLU A 60 -4.453 14.694 3.765 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.019 13.754 4.361 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.282 15.823 4.271 1.00 0.00 O ATOM 0 H GLU A 60 -2.681 12.657 0.699 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.338 11.771 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.816 13.765 0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.859 13.592 1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.934 14.057 2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.898 15.402 1.823 1.00 0.00 H new ATOM 882 N ARG A 61 -5.728 11.373 -0.213 1.00 0.00 N ATOM 883 CA ARG A 61 -6.706 10.582 -0.951 1.00 0.00 C ATOM 884 C ARG A 61 -6.692 9.129 -0.487 1.00 0.00 C ATOM 885 O ARG A 61 -7.734 8.479 -0.417 1.00 0.00 O ATOM 886 CB ARG A 61 -6.421 10.652 -2.452 1.00 0.00 C ATOM 887 CG ARG A 61 -6.352 12.071 -2.993 1.00 0.00 C ATOM 888 CD ARG A 61 -6.049 12.085 -4.483 1.00 0.00 C ATOM 889 NE ARG A 61 -7.261 11.963 -5.289 1.00 0.00 N ATOM 890 CZ ARG A 61 -7.807 10.800 -5.624 1.00 0.00 C ATOM 891 NH1 ARG A 61 -7.252 9.664 -5.225 1.00 0.00 N ATOM 892 NH2 ARG A 61 -8.911 10.771 -6.360 1.00 0.00 N ATOM 0 H ARG A 61 -5.293 12.120 -0.755 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.694 10.998 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.477 10.147 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.198 10.106 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.299 12.578 -2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.582 12.628 -2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.535 13.011 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.370 11.266 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.713 12.818 -5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.403 9.682 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.674 8.772 -5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.341 11.643 -6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.329 9.877 -6.617 1.00 0.00 H new ATOM 906 N ALA A 62 -5.503 8.625 -0.172 1.00 0.00 N ATOM 907 CA ALA A 62 -5.353 7.250 0.287 1.00 0.00 C ATOM 908 C ALA A 62 -5.725 7.118 1.760 1.00 0.00 C ATOM 909 O ALA A 62 -6.426 6.185 2.150 1.00 0.00 O ATOM 910 CB ALA A 62 -3.928 6.768 0.056 1.00 0.00 C ATOM 0 H ALA A 62 -4.630 9.149 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.035 6.625 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.831 5.740 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.696 6.815 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.235 7.404 0.607 1.00 0.00 H new ATOM 916 N GLN A 63 -5.252 8.058 2.571 1.00 0.00 N ATOM 917 CA GLN A 63 -5.535 8.045 4.002 1.00 0.00 C ATOM 918 C GLN A 63 -7.019 8.275 4.265 1.00 0.00 C ATOM 919 O GLN A 63 -7.545 7.877 5.304 1.00 0.00 O ATOM 920 CB GLN A 63 -4.706 9.113 4.717 1.00 0.00 C ATOM 921 CG GLN A 63 -4.797 9.041 6.232 1.00 0.00 C ATOM 922 CD GLN A 63 -5.943 9.863 6.788 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.391 10.826 6.165 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.425 9.486 7.967 1.00 0.00 N ATOM 0 H GLN A 63 -4.671 8.838 2.263 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.264 7.064 4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.663 9.011 4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.037 10.098 4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.920 8.001 6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.860 9.391 6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.023 8.681 8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.197 10.001 8.391 1.00 0.00 H new ATOM 933 N LYS A 64 -7.690 8.921 3.317 1.00 0.00 N ATOM 934 CA LYS A 64 -9.114 9.204 3.445 1.00 0.00 C ATOM 935 C LYS A 64 -9.949 8.080 2.840 1.00 0.00 C ATOM 936 O LYS A 64 -11.100 7.872 3.225 1.00 0.00 O ATOM 937 CB LYS A 64 -9.455 10.531 2.762 1.00 0.00 C ATOM 938 CG LYS A 64 -9.045 10.586 1.301 1.00 0.00 C ATOM 939 CD LYS A 64 -10.120 10.004 0.398 1.00 0.00 C ATOM 940 CE LYS A 64 -11.331 10.921 0.311 1.00 0.00 C ATOM 941 NZ LYS A 64 -11.243 11.847 -0.851 1.00 0.00 N ATOM 0 H LYS A 64 -7.270 9.258 2.451 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.350 9.277 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.529 10.703 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.965 11.343 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.849 11.620 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.115 10.035 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.711 9.844 -0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.427 9.029 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.237 10.320 0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.415 11.500 1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.087 12.455 -0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.392 12.439 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.188 11.295 -1.731 1.00 0.00 H new ATOM 955 N ARG A 65 -9.362 7.358 1.891 1.00 0.00 N ATOM 956 CA ARG A 65 -10.052 6.255 1.233 1.00 0.00 C ATOM 957 C ARG A 65 -9.850 4.952 2.001 1.00 0.00 C ATOM 958 O ARG A 65 -10.812 4.336 2.460 1.00 0.00 O ATOM 959 CB ARG A 65 -9.550 6.096 -0.203 1.00 0.00 C ATOM 960 CG ARG A 65 -9.624 4.668 -0.719 1.00 0.00 C ATOM 961 CD ARG A 65 -11.060 4.171 -0.777 1.00 0.00 C ATOM 962 NE ARG A 65 -11.237 3.128 -1.785 1.00 0.00 N ATOM 963 CZ ARG A 65 -11.054 3.324 -3.086 1.00 0.00 C ATOM 964 NH1 ARG A 65 -10.689 4.517 -3.535 1.00 0.00 N ATOM 965 NH2 ARG A 65 -11.235 2.325 -3.940 1.00 0.00 N ATOM 0 H ARG A 65 -8.410 7.517 1.561 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.117 6.485 1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.136 6.741 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.517 6.440 -0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.179 4.615 -1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.038 4.015 -0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.350 3.784 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.724 5.006 -0.999 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.516 2.198 -1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.548 5.287 -2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.549 4.665 -4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.515 1.406 -3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.094 2.476 -4.939 1.00 0.00 H new ATOM 979 N MET A 66 -8.594 4.540 2.137 1.00 0.00 N ATOM 980 CA MET A 66 -8.267 3.310 2.850 1.00 0.00 C ATOM 981 C MET A 66 -8.894 3.305 4.240 1.00 0.00 C ATOM 982 O MET A 66 -9.529 2.330 4.640 1.00 0.00 O ATOM 983 CB MET A 66 -6.750 3.149 2.961 1.00 0.00 C ATOM 984 CG MET A 66 -6.085 2.734 1.658 1.00 0.00 C ATOM 985 SD MET A 66 -4.414 2.103 1.900 1.00 0.00 S ATOM 986 CE MET A 66 -3.440 3.502 1.350 1.00 0.00 C ATOM 0 H MET A 66 -7.787 5.039 1.763 1.00 0.00 H new ATOM 0 HA MET A 66 -8.674 2.472 2.285 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.317 4.091 3.296 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.527 2.405 3.726 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.691 1.969 1.173 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.052 3.589 0.983 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.413 3.388 1.696 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.453 3.549 0.261 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.860 4.421 1.758 1.00 0.00 H new ATOM 996 N GLU A 67 -8.710 4.400 4.972 1.00 0.00 N ATOM 997 CA GLU A 67 -9.258 4.519 6.318 1.00 0.00 C ATOM 998 C GLU A 67 -10.654 3.908 6.394 1.00 0.00 C ATOM 999 O GLU A 67 -11.018 3.288 7.392 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.308 5.988 6.744 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.175 6.853 5.844 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.406 8.239 6.414 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -9.570 8.696 7.222 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.423 8.867 6.051 1.00 0.00 O ATOM 0 H GLU A 67 -8.186 5.216 4.656 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.604 3.973 6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.685 6.049 7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.295 6.390 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.702 6.941 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.136 6.362 5.691 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.431 4.089 5.331 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.788 3.556 5.276 1.00 0.00 C ATOM 1013 C ASN A 68 -12.822 2.231 4.522 1.00 0.00 C ATOM 1014 O ASN A 68 -13.768 1.455 4.655 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.726 4.562 4.605 1.00 0.00 C ATOM 1016 CG ASN A 68 -14.229 5.617 5.572 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -15.281 6.219 5.358 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -13.477 5.845 6.643 1.00 0.00 N ATOM 0 H ASN A 68 -11.145 4.600 4.496 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.125 3.381 6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.204 5.048 3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.576 4.032 4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.764 6.543 7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.612 5.322 6.780 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.784 1.978 3.732 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.696 0.747 2.956 1.00 0.00 C ATOM 1027 C GLU A 69 -11.454 -0.454 3.868 1.00 0.00 C ATOM 1028 O GLU A 69 -11.166 -0.298 5.054 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.574 0.848 1.921 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.676 -0.183 0.809 1.00 0.00 C ATOM 1031 CD GLU A 69 -12.095 -0.354 0.302 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.655 0.625 -0.236 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -12.646 -1.466 0.442 1.00 0.00 O ATOM 0 H GLU A 69 -10.992 2.609 3.612 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.645 0.605 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.585 1.846 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.615 0.732 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.032 0.115 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.306 -1.142 1.172 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.575 -1.650 3.304 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.370 -2.878 4.064 1.00 0.00 C ATOM 1042 C ASP A 70 -10.586 -3.899 3.246 1.00 0.00 C ATOM 1043 O ASP A 70 -11.117 -4.502 2.313 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.714 -3.470 4.489 1.00 0.00 C ATOM 1045 CG ASP A 70 -12.668 -4.980 4.614 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -11.596 -5.513 4.969 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -13.704 -5.629 4.357 1.00 0.00 O ATOM 0 H ASP A 70 -11.814 -1.796 2.323 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.792 -2.633 4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.012 -3.038 5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.477 -3.192 3.762 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.319 -4.088 3.601 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.462 -5.037 2.900 1.00 0.00 C ATOM 1054 C VAL A 71 -9.139 -6.396 2.767 1.00 0.00 C ATOM 1055 O VAL A 71 -9.290 -6.920 1.663 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.114 -5.216 3.624 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -6.327 -6.364 3.011 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.311 -3.925 3.582 1.00 0.00 C ATOM 0 H VAL A 71 -8.863 -3.596 4.370 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.282 -4.626 1.907 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.312 -5.460 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.378 -6.475 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.901 -7.287 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.138 -6.154 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.362 -4.070 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.121 -3.648 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.873 -3.131 4.073 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.547 -6.961 3.898 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.209 -8.260 3.908 1.00 0.00 C ATOM 1070 C PHE A 72 -10.906 -8.506 5.243 1.00 0.00 C ATOM 1071 O PHE A 72 -10.257 -8.637 6.280 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.197 -9.374 3.636 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.752 -9.444 2.203 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.648 -9.785 1.202 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.439 -9.170 1.857 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.243 -9.849 -0.118 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.028 -9.232 0.539 1.00 0.00 C ATOM 1078 CZ PHE A 72 -7.931 -9.574 -0.450 1.00 0.00 C ATOM 0 H PHE A 72 -9.431 -6.540 4.820 1.00 0.00 H new ATOM 0 HA PHE A 72 -10.962 -8.262 3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.325 -9.224 4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.637 -10.330 3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.675 -10.003 1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.728 -8.905 2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.952 -10.114 -0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.002 -9.013 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.611 -9.626 -1.480 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.234 -8.565 5.209 1.00 0.00 N ATOM 1089 CA GLY A 73 -12.998 -8.793 6.422 1.00 0.00 C ATOM 1090 C GLY A 73 -12.420 -8.062 7.617 1.00 0.00 C ATOM 1091 O GLY A 73 -12.400 -8.592 8.727 1.00 0.00 O ATOM 0 H GLY A 73 -12.794 -8.459 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.027 -8.470 6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.028 -9.862 6.633 1.00 0.00 H new ATOM 1095 N ASN A 74 -11.947 -6.841 7.390 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.363 -6.036 8.457 1.00 0.00 C ATOM 1097 C ASN A 74 -11.068 -4.621 7.972 1.00 0.00 C ATOM 1098 O ASN A 74 -10.587 -4.424 6.855 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.079 -6.689 8.973 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.081 -5.672 9.490 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -8.868 -5.552 10.697 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.463 -4.933 8.576 1.00 0.00 N ATOM 0 H ASN A 74 -11.957 -6.387 6.477 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.086 -5.978 9.271 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.326 -7.390 9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.621 -7.268 8.171 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.780 -4.232 8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.671 -5.067 7.586 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.357 -3.638 8.818 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.123 -2.240 8.476 1.00 0.00 C ATOM 1111 C ARG A 75 -9.708 -1.816 8.859 1.00 0.00 C ATOM 1112 O ARG A 75 -9.208 -2.180 9.924 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.144 -1.343 9.178 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.463 -0.069 8.412 1.00 0.00 C ATOM 1115 CD ARG A 75 -13.877 0.412 8.697 1.00 0.00 C ATOM 1116 NE ARG A 75 -14.258 1.529 7.837 1.00 0.00 N ATOM 1117 CZ ARG A 75 -15.350 2.262 8.025 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -16.164 1.998 9.038 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -15.630 3.262 7.199 1.00 0.00 N ATOM 0 H ARG A 75 -11.754 -3.784 9.746 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.236 -2.132 7.397 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.065 -1.905 9.331 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.765 -1.078 10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.751 0.709 8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.346 -0.247 7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.576 -0.412 8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.953 0.716 9.741 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.653 1.759 7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.952 1.230 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.002 2.563 9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.007 3.469 6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.469 3.824 7.344 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.069 -1.047 7.984 1.00 0.00 N ATOM 1134 CA ILE A 76 -7.713 -0.573 8.232 1.00 0.00 C ATOM 1135 C ILE A 76 -7.714 0.880 8.695 1.00 0.00 C ATOM 1136 O ILE A 76 -8.652 1.628 8.421 1.00 0.00 O ATOM 1137 CB ILE A 76 -6.834 -0.699 6.973 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.481 0.038 5.798 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.609 -2.163 6.628 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.705 -0.088 4.506 1.00 0.00 C ATOM 0 H ILE A 76 -9.468 -0.739 7.097 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.298 -1.202 9.020 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.866 -0.242 7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.488 -0.350 5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.580 1.093 6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.986 -2.235 5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.110 -2.660 7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.569 -2.644 6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.221 0.458 3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.706 0.326 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.628 -1.139 4.229 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.656 1.272 9.396 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.533 2.636 9.894 1.00 0.00 C ATOM 1154 C ILE A 77 -5.297 3.322 9.321 1.00 0.00 C ATOM 1155 O ILE A 77 -4.166 2.966 9.653 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.458 2.669 11.432 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.684 1.984 12.039 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.348 4.104 11.926 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.587 1.788 13.536 1.00 0.00 C ATOM 0 H ILE A 77 -5.872 0.664 9.632 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.425 3.172 9.570 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.568 2.126 11.749 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.570 2.578 11.815 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.822 1.014 11.562 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.296 4.111 13.015 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.447 4.562 11.517 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.222 4.669 11.601 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.490 1.297 13.898 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.720 1.169 13.766 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.480 2.757 14.024 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.521 4.309 8.459 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.426 5.047 7.842 1.00 0.00 C ATOM 1173 C VAL A 78 -4.181 6.370 8.559 1.00 0.00 C ATOM 1174 O VAL A 78 -5.106 7.157 8.764 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.706 5.327 6.354 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.453 5.839 5.661 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.233 4.076 5.667 1.00 0.00 C ATOM 0 H VAL A 78 -6.451 4.616 8.172 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.537 4.422 7.926 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.471 6.101 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.671 6.031 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.125 6.762 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.664 5.091 5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.426 4.292 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.493 3.279 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.159 3.759 6.148 1.00 0.00 H new ATOM 1187 N SER A 79 -2.930 6.609 8.939 1.00 0.00 N ATOM 1188 CA SER A 79 -2.564 7.836 9.637 1.00 0.00 C ATOM 1189 C SER A 79 -1.252 8.397 9.097 1.00 0.00 C ATOM 1190 O SER A 79 -0.399 7.654 8.612 1.00 0.00 O ATOM 1191 CB SER A 79 -2.441 7.575 11.140 1.00 0.00 C ATOM 1192 OG SER A 79 -2.771 8.733 11.887 1.00 0.00 O ATOM 0 H SER A 79 -2.153 5.969 8.775 1.00 0.00 H new ATOM 0 HA SER A 79 -3.351 8.571 9.466 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.100 6.755 11.425 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.423 7.264 11.376 1.00 0.00 H new ATOM 0 HG SER A 79 -2.686 8.540 12.844 1.00 0.00 H new ATOM 1198 N PHE A 80 -1.099 9.714 9.185 1.00 0.00 N ATOM 1199 CA PHE A 80 0.108 10.377 8.705 1.00 0.00 C ATOM 1200 C PHE A 80 1.218 10.309 9.750 1.00 0.00 C ATOM 1201 O PHE A 80 2.403 10.375 9.419 1.00 0.00 O ATOM 1202 CB PHE A 80 -0.191 11.837 8.357 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.805 12.016 6.998 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -2.030 11.443 6.696 1.00 0.00 C ATOM 1205 CD2 PHE A 80 -0.157 12.756 6.023 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.597 11.606 5.446 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.719 12.923 4.771 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.941 12.347 4.483 1.00 0.00 C ATOM 0 H PHE A 80 -1.796 10.343 9.584 1.00 0.00 H new ATOM 0 HA PHE A 80 0.445 9.858 7.808 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.864 12.251 9.108 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.734 12.411 8.407 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.547 10.863 7.446 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.799 13.208 6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.552 11.154 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.204 13.503 4.020 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.383 12.476 3.506 1.00 0.00 H new ATOM 1218 N THR A 81 0.827 10.176 11.013 1.00 0.00 N ATOM 1219 CA THR A 81 1.787 10.100 12.107 1.00 0.00 C ATOM 1220 C THR A 81 1.830 8.698 12.704 1.00 0.00 C ATOM 1221 O THR A 81 0.877 7.926 12.606 1.00 0.00 O ATOM 1222 CB THR A 81 1.451 11.110 13.220 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.034 11.174 13.413 1.00 0.00 O ATOM 1224 CG2 THR A 81 1.983 12.493 12.875 1.00 0.00 C ATOM 0 H THR A 81 -0.149 10.119 11.304 1.00 0.00 H new ATOM 0 HA THR A 81 2.764 10.344 11.688 1.00 0.00 H new ATOM 0 HB THR A 81 1.928 10.773 14.141 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.171 11.817 14.124 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.733 13.189 13.676 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.066 12.448 12.758 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.531 12.835 11.944 1.00 0.00 H new ATOM 1232 N PRO A 82 2.962 8.360 13.340 1.00 0.00 N ATOM 1233 CA PRO A 82 3.155 7.050 13.968 1.00 0.00 C ATOM 1234 C PRO A 82 2.287 6.867 15.208 1.00 0.00 C ATOM 1235 O PRO A 82 1.922 7.837 15.872 1.00 0.00 O ATOM 1236 CB PRO A 82 4.638 7.054 14.349 1.00 0.00 C ATOM 1237 CG PRO A 82 4.986 8.495 14.497 1.00 0.00 C ATOM 1238 CD PRO A 82 4.139 9.231 13.497 1.00 0.00 C ATOM 0 HA PRO A 82 2.874 6.234 13.302 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.810 6.508 15.276 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.246 6.577 13.580 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.784 8.843 15.510 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.046 8.662 14.308 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.861 10.221 13.858 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.664 9.372 12.552 1.00 0.00 H new ATOM 1246 N LYS A 83 1.961 5.616 15.517 1.00 0.00 N ATOM 1247 CA LYS A 83 1.137 5.305 16.679 1.00 0.00 C ATOM 1248 C LYS A 83 2.004 5.059 17.910 1.00 0.00 C ATOM 1249 O LYS A 83 1.815 4.077 18.628 1.00 0.00 O ATOM 1250 CB LYS A 83 0.269 4.076 16.400 1.00 0.00 C ATOM 1251 CG LYS A 83 -0.669 4.250 15.218 1.00 0.00 C ATOM 1252 CD LYS A 83 -1.977 4.902 15.635 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.991 3.868 16.101 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.390 4.310 15.847 1.00 0.00 N ATOM 0 H LYS A 83 2.255 4.801 14.979 1.00 0.00 H new ATOM 0 HA LYS A 83 0.492 6.161 16.876 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.916 3.218 16.216 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.319 3.847 17.289 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.185 4.859 14.455 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.873 3.278 14.768 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.789 5.616 16.437 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.388 5.464 14.797 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.809 2.924 15.587 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.857 3.682 17.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.051 3.578 16.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.572 5.198 16.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.526 4.463 14.827 1.00 0.00 H new ATOM 1268 N ASN A 84 2.953 5.958 18.149 1.00 0.00 N ATOM 1269 CA ASN A 84 3.848 5.838 19.294 1.00 0.00 C ATOM 1270 C ASN A 84 3.520 6.886 20.353 1.00 0.00 C ATOM 1271 O ASN A 84 4.404 7.364 21.064 1.00 0.00 O ATOM 1272 CB ASN A 84 5.304 5.987 18.848 1.00 0.00 C ATOM 1273 CG ASN A 84 6.286 5.639 19.951 1.00 0.00 C ATOM 1274 OD1 ASN A 84 6.561 4.466 20.205 1.00 0.00 O ATOM 1275 ND2 ASN A 84 6.818 6.660 20.613 1.00 0.00 N ATOM 0 H ASN A 84 3.122 6.777 17.565 1.00 0.00 H new ATOM 0 HA ASN A 84 3.708 4.849 19.730 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.485 5.343 17.988 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.478 7.012 18.521 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.484 6.488 21.366 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.561 7.616 20.368 1.00 0.00 H new ATOM 1282 N ARG A 85 2.242 7.238 20.453 1.00 0.00 N ATOM 1283 CA ARG A 85 1.796 8.230 21.424 1.00 0.00 C ATOM 1284 C ARG A 85 0.760 7.634 22.373 1.00 0.00 C ATOM 1285 O ARG A 85 0.576 8.118 23.489 1.00 0.00 O ATOM 1286 CB ARG A 85 1.209 9.448 20.709 1.00 0.00 C ATOM 1287 CG ARG A 85 2.253 10.314 20.024 1.00 0.00 C ATOM 1288 CD ARG A 85 3.019 11.162 21.028 1.00 0.00 C ATOM 1289 NE ARG A 85 2.302 12.388 21.368 1.00 0.00 N ATOM 1290 CZ ARG A 85 2.763 13.295 22.222 1.00 0.00 C ATOM 1291 NH1 ARG A 85 3.933 13.115 22.819 1.00 0.00 N ATOM 1292 NH2 ARG A 85 2.052 14.386 22.480 1.00 0.00 N ATOM 0 H ARG A 85 1.497 6.851 19.873 1.00 0.00 H new ATOM 0 HA ARG A 85 2.661 8.544 22.009 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.486 9.109 19.967 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.663 10.055 21.432 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.949 9.680 19.475 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.768 10.962 19.294 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.194 10.582 21.934 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.996 11.416 20.618 1.00 0.00 H new ATOM 0 HE ARG A 85 1.398 12.557 20.926 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.482 12.278 22.623 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.284 13.813 23.474 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.152 14.528 22.022 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.406 15.082 23.136 1.00 0.00 H new ATOM 1306 N GLU A 86 0.085 6.582 21.919 1.00 0.00 N ATOM 1307 CA GLU A 86 -0.934 5.922 22.727 1.00 0.00 C ATOM 1308 C GLU A 86 -0.534 4.482 23.036 1.00 0.00 C ATOM 1309 O GLU A 86 -0.503 3.630 22.148 1.00 0.00 O ATOM 1310 CB GLU A 86 -2.282 5.945 22.004 1.00 0.00 C ATOM 1311 CG GLU A 86 -2.932 7.318 21.971 1.00 0.00 C ATOM 1312 CD GLU A 86 -2.303 8.236 20.942 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -1.694 7.723 19.981 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -2.421 9.470 21.098 1.00 0.00 O ATOM 0 H GLU A 86 0.225 6.169 20.997 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.025 6.465 23.668 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.142 5.594 20.982 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.959 5.244 22.492 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.994 7.208 21.753 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.855 7.776 22.957 1.00 0.00 H new ATOM 1321 N LEU A 87 -0.229 4.219 24.302 1.00 0.00 N ATOM 1322 CA LEU A 87 0.169 2.883 24.731 1.00 0.00 C ATOM 1323 C LEU A 87 -1.029 1.939 24.755 1.00 0.00 C ATOM 1324 O LEU A 87 -1.010 0.880 24.127 1.00 0.00 O ATOM 1325 CB LEU A 87 0.815 2.941 26.116 1.00 0.00 C ATOM 1326 CG LEU A 87 2.143 3.694 26.206 1.00 0.00 C ATOM 1327 CD1 LEU A 87 2.446 4.072 27.648 1.00 0.00 C ATOM 1328 CD2 LEU A 87 3.272 2.855 25.625 1.00 0.00 C ATOM 0 H LEU A 87 -0.250 4.913 25.049 1.00 0.00 H new ATOM 0 HA LEU A 87 0.896 2.500 24.014 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.109 3.406 26.805 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.975 1.920 26.463 1.00 0.00 H new ATOM 0 HG LEU A 87 2.059 4.610 25.621 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.395 4.607 27.692 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.651 4.711 28.031 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.510 3.169 28.255 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.209 3.406 25.697 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.356 1.922 26.182 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.060 2.635 24.579 1.00 0.00 H new ATOM 1340 N CYS A 88 -2.069 2.331 25.483 1.00 0.00 N ATOM 1341 CA CYS A 88 -3.277 1.520 25.588 1.00 0.00 C ATOM 1342 C CYS A 88 -4.430 2.160 24.821 1.00 0.00 C ATOM 1343 O CYS A 88 -5.581 2.104 25.252 1.00 0.00 O ATOM 1344 CB CYS A 88 -3.666 1.335 27.055 1.00 0.00 C ATOM 1345 SG CYS A 88 -4.684 -0.126 27.371 1.00 0.00 S ATOM 0 H CYS A 88 -2.100 3.205 26.009 1.00 0.00 H new ATOM 0 HA CYS A 88 -3.069 0.544 25.149 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -2.758 1.269 27.655 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -4.206 2.220 27.391 1.00 0.00 H new ATOM 0 HG CYS A 88 -4.959 -0.197 28.640 1.00 0.00 H new ATOM 1351 N GLU A 89 -4.111 2.770 23.684 1.00 0.00 N ATOM 1352 CA GLU A 89 -5.120 3.423 22.859 1.00 0.00 C ATOM 1353 C GLU A 89 -5.921 4.432 23.676 1.00 0.00 C ATOM 1354 O GLU A 89 -7.143 4.523 23.548 1.00 0.00 O ATOM 1355 CB GLU A 89 -6.062 2.383 22.247 1.00 0.00 C ATOM 1356 CG GLU A 89 -6.895 2.920 21.095 1.00 0.00 C ATOM 1357 CD GLU A 89 -6.146 2.901 19.776 1.00 0.00 C ATOM 1358 OE1 GLU A 89 -5.663 1.818 19.384 1.00 0.00 O ATOM 1359 OE2 GLU A 89 -6.044 3.968 19.136 1.00 0.00 O ATOM 0 H GLU A 89 -3.162 2.826 23.313 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.608 3.955 22.057 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.474 1.535 21.895 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.729 2.008 23.023 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.804 2.326 21.001 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.203 3.941 21.319 1.00 0.00 H new ATOM 1366 N THR A 90 -5.225 5.189 24.518 1.00 0.00 N ATOM 1367 CA THR A 90 -5.869 6.191 25.358 1.00 0.00 C ATOM 1368 C THR A 90 -6.842 7.042 24.550 1.00 0.00 C ATOM 1369 O THR A 90 -6.453 7.699 23.585 1.00 0.00 O ATOM 1370 CB THR A 90 -4.834 7.112 26.029 1.00 0.00 C ATOM 1371 OG1 THR A 90 -3.881 6.330 26.758 1.00 0.00 O ATOM 1372 CG2 THR A 90 -5.514 8.097 26.969 1.00 0.00 C ATOM 0 H THR A 90 -4.214 5.127 24.636 1.00 0.00 H new ATOM 0 HA THR A 90 -6.417 5.651 26.130 1.00 0.00 H new ATOM 0 HB THR A 90 -4.321 7.674 25.248 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.225 6.924 27.180 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.762 8.737 27.431 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.217 8.711 26.406 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.050 7.549 27.744 1.00 0.00 H new ATOM 1380 N SER A 91 -8.109 7.027 24.952 1.00 0.00 N ATOM 1381 CA SER A 91 -9.139 7.796 24.263 1.00 0.00 C ATOM 1382 C SER A 91 -8.942 9.292 24.488 1.00 0.00 C ATOM 1383 O SER A 91 -9.517 10.118 23.781 1.00 0.00 O ATOM 1384 CB SER A 91 -10.528 7.375 24.746 1.00 0.00 C ATOM 1385 OG SER A 91 -10.654 7.544 26.147 1.00 0.00 O ATOM 0 H SER A 91 -8.447 6.491 25.751 1.00 0.00 H new ATOM 0 HA SER A 91 -9.056 7.593 23.195 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.288 7.966 24.236 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.706 6.332 24.485 1.00 0.00 H new ATOM 0 HG SER A 91 -11.551 7.270 26.430 1.00 0.00 H new ATOM 1391 N GLY A 92 -8.123 9.632 25.479 1.00 0.00 N ATOM 1392 CA GLY A 92 -7.863 11.028 25.781 1.00 0.00 C ATOM 1393 C GLY A 92 -9.107 11.886 25.668 1.00 0.00 C ATOM 1394 O GLY A 92 -9.243 12.704 24.758 1.00 0.00 O ATOM 0 H GLY A 92 -7.635 8.966 26.078 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.460 11.109 26.790 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.100 11.408 25.101 1.00 0.00 H new ATOM 1398 N PRO A 93 -10.045 11.703 26.610 1.00 0.00 N ATOM 1399 CA PRO A 93 -11.302 12.458 26.633 1.00 0.00 C ATOM 1400 C PRO A 93 -11.090 13.925 26.990 1.00 0.00 C ATOM 1401 O PRO A 93 -10.767 14.256 28.131 1.00 0.00 O ATOM 1402 CB PRO A 93 -12.117 11.755 27.721 1.00 0.00 C ATOM 1403 CG PRO A 93 -11.100 11.131 28.613 1.00 0.00 C ATOM 1404 CD PRO A 93 -9.950 10.746 27.724 1.00 0.00 C ATOM 0 HA PRO A 93 -11.789 12.471 25.658 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.742 12.462 28.267 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.783 11.005 27.294 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.779 11.829 29.386 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.510 10.258 29.121 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.995 10.828 28.244 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.037 9.716 27.378 1.00 0.00 H new ATOM 1412 N SER A 94 -11.275 14.801 26.008 1.00 0.00 N ATOM 1413 CA SER A 94 -11.101 16.233 26.218 1.00 0.00 C ATOM 1414 C SER A 94 -12.376 16.993 25.864 1.00 0.00 C ATOM 1415 O SER A 94 -13.079 16.642 24.916 1.00 0.00 O ATOM 1416 CB SER A 94 -9.933 16.755 25.379 1.00 0.00 C ATOM 1417 OG SER A 94 -9.848 18.168 25.447 1.00 0.00 O ATOM 0 H SER A 94 -11.545 14.544 25.059 1.00 0.00 H new ATOM 0 HA SER A 94 -10.882 16.396 27.273 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.001 16.314 25.733 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.059 16.445 24.342 1.00 0.00 H new ATOM 0 HG SER A 94 -9.093 18.477 24.904 1.00 0.00 H new ATOM 1423 N SER A 95 -12.668 18.037 26.633 1.00 0.00 N ATOM 1424 CA SER A 95 -13.860 18.845 26.404 1.00 0.00 C ATOM 1425 C SER A 95 -13.490 20.206 25.821 1.00 0.00 C ATOM 1426 O SER A 95 -12.375 20.691 26.007 1.00 0.00 O ATOM 1427 CB SER A 95 -14.635 19.031 27.710 1.00 0.00 C ATOM 1428 OG SER A 95 -15.121 17.792 28.196 1.00 0.00 O ATOM 0 H SER A 95 -12.096 18.343 27.420 1.00 0.00 H new ATOM 0 HA SER A 95 -14.492 18.321 25.687 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.988 19.490 28.458 1.00 0.00 H new ATOM 0 HB3 SER A 95 -15.469 19.714 27.547 1.00 0.00 H new ATOM 0 HG SER A 95 -15.611 17.938 29.032 1.00 0.00 H new ATOM 1434 N GLY A 96 -14.436 20.817 25.113 1.00 0.00 N ATOM 1435 CA GLY A 96 -14.191 22.115 24.513 1.00 0.00 C ATOM 1436 C GLY A 96 -14.057 22.040 23.005 1.00 0.00 C ATOM 1437 O GLY A 96 -14.731 21.242 22.354 1.00 0.00 O ATOM 0 H GLY A 96 -15.367 20.436 24.945 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -15.007 22.790 24.769 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -13.281 22.541 24.935 1.00 0.00 H new TER 1441 GLY A 96