USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 987 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 47 LYS NZ :NH3+ -151:sc= 0.495 (180deg=-0.332) USER MOD Set 1.2: A 56 TYR OH : rot -60:sc= 0.58 USER MOD Set 1.3: A 69 HIS : no HE2:sc= 0.252 K(o=1.3,f=0.0036) USER MOD Set 2.1: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.505 K(o=0.5,f=0) USER MOD Set 3.1: A 5 THR OG1 : rot -140:sc= -0.0139 USER MOD Set 3.2: A 127 HIS : no HD1:sc= -0.0935 X(o=-0.11,f=-0.24) USER MOD Single : A 1 MET CE :methyl 137:sc= -0.0595 (180deg=-1.16) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0161 (180deg=-0.366) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -149:sc= 1.06 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 112:sc= 0.303 USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= 1.05 (180deg=0.703) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.793 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.079) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 100:sc= 0.107 USER MOD Single : A 40 ASN : amide:sc= 0.339 K(o=0.34,f=-5.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00299 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.704 K(o=0.7,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -166:sc=-0.00694 (180deg=-0.225) USER MOD Single : A 61 TYR OH : rot 30:sc= 0.0138 USER MOD Single : A 65 GLN : amide:sc= 0.354 X(o=0.35,f=-0.0066) USER MOD Single : A 71 GLN : amide:sc= -0.169 K(o=-0.17,f=-3.7!) USER MOD Single : A 74 LYS NZ :NH3+ -154:sc= 0.545 (180deg=0.235) USER MOD Single : A 78 TYR OH : rot -162:sc= 0.48 USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= 0.57 (180deg=-0.0326) USER MOD Single : A 83 GLN : amide:sc= -3.41! C(o=-3.4!,f=-7.1!) USER MOD Single : A 86 THR OG1 : rot -33:sc= 0.488 USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= -0.0701 (180deg=-0.4) USER MOD Single : A 90 TYR OH : rot 36:sc= -0.93 USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 0.643 (180deg=0.567) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 97 THR OG1 : rot 90:sc= -0.0128 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 168:sc= 0.711 (180deg=0.623) USER MOD Single : A 108 LYS NZ :NH3+ 171:sc= 0.553 (180deg=0.385) USER MOD Single : A 109 LYS NZ :NH3+ 165:sc= 0.851 (180deg=0.492) USER MOD Single : A 115 GLN : amide:sc= 0.27 K(o=0.27,f=-0.26) USER MOD Single : A 116 LYS NZ :NH3+ -157:sc= 0.0348 (180deg=0.0057) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 173:sc= -0.0211 (180deg=-0.164) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 128 HIS : no HD1:sc= -0.0207 K(o=-0.021,f=-2.2) USER MOD Single : A 129 HIS : no HE2:sc= 0.394 K(o=0.39,f=-1.4) USER MOD Single : A 130 HIS : no HE2:sc= 0.0919 K(o=0.092,f=-3.7!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.132 -8.690 16.797 1.00 73.14 N ATOM 2 CA MET A 1 3.724 -8.844 15.453 1.00 53.43 C ATOM 3 C MET A 1 4.817 -9.896 15.496 1.00 21.22 C ATOM 4 O MET A 1 5.497 -10.055 16.505 1.00 22.44 O ATOM 5 CB MET A 1 4.279 -7.508 14.954 1.00 62.21 C ATOM 6 CG MET A 1 3.208 -6.459 14.683 1.00 11.00 C ATOM 7 SD MET A 1 3.856 -4.771 14.662 1.00 43.11 S ATOM 8 CE MET A 1 5.072 -4.858 13.349 1.00 3.12 C ATOM 0 H1 MET A 1 2.133 -8.977 16.771 1.00 73.14 H new ATOM 0 H2 MET A 1 3.647 -9.289 17.474 1.00 73.14 H new ATOM 0 H3 MET A 1 3.199 -7.695 17.094 1.00 73.14 H new ATOM 0 HA MET A 1 2.949 -9.167 14.757 1.00 53.43 H new ATOM 0 HB2 MET A 1 4.978 -7.117 15.693 1.00 62.21 H new ATOM 0 HB3 MET A 1 4.846 -7.680 14.039 1.00 62.21 H new ATOM 0 HG2 MET A 1 2.734 -6.672 13.725 1.00 11.00 H new ATOM 0 HG3 MET A 1 2.433 -6.535 15.446 1.00 11.00 H new ATOM 0 HE1 MET A 1 4.996 -3.969 12.723 1.00 3.12 H new ATOM 0 HE2 MET A 1 6.071 -4.914 13.781 1.00 3.12 H new ATOM 0 HE3 MET A 1 4.890 -5.745 12.742 1.00 3.12 H new ATOM 20 N LYS A 2 4.947 -10.627 14.406 1.00 54.44 N ATOM 21 CA LYS A 2 5.903 -11.717 14.281 1.00 41.43 C ATOM 22 C LYS A 2 6.758 -11.492 13.049 1.00 21.10 C ATOM 23 O LYS A 2 6.372 -10.719 12.171 1.00 21.43 O ATOM 24 CB LYS A 2 5.166 -13.053 14.145 1.00 11.23 C ATOM 25 CG LYS A 2 4.360 -13.440 15.365 1.00 15.32 C ATOM 26 CD LYS A 2 3.434 -14.599 15.065 1.00 51.40 C ATOM 27 CE LYS A 2 2.685 -15.030 16.308 1.00 71.30 C ATOM 28 NZ LYS A 2 1.750 -16.143 16.030 1.00 23.24 N ATOM 0 H LYS A 2 4.384 -10.480 13.568 1.00 54.44 H new ATOM 0 HA LYS A 2 6.530 -11.745 15.172 1.00 41.43 H new ATOM 0 HB2 LYS A 2 4.500 -13.002 13.284 1.00 11.23 H new ATOM 0 HB3 LYS A 2 5.894 -13.838 13.939 1.00 11.23 H new ATOM 0 HG2 LYS A 2 5.034 -13.711 16.178 1.00 15.32 H new ATOM 0 HG3 LYS A 2 3.777 -12.584 15.705 1.00 15.32 H new ATOM 0 HD2 LYS A 2 2.724 -14.311 14.290 1.00 51.40 H new ATOM 0 HD3 LYS A 2 4.010 -15.438 14.674 1.00 51.40 H new ATOM 0 HE2 LYS A 2 3.398 -15.337 17.073 1.00 71.30 H new ATOM 0 HE3 LYS A 2 2.131 -14.182 16.710 1.00 71.30 H new ATOM 0 HZ1 LYS A 2 1.257 -16.409 16.906 1.00 23.24 H new ATOM 0 HZ2 LYS A 2 1.054 -15.842 15.318 1.00 23.24 H new ATOM 0 HZ3 LYS A 2 2.282 -16.961 15.670 1.00 23.24 H new ATOM 42 N ASP A 3 7.907 -12.158 12.979 1.00 24.21 N ATOM 43 CA ASP A 3 8.748 -12.081 11.795 1.00 72.30 C ATOM 44 C ASP A 3 8.116 -12.875 10.637 1.00 1.45 C ATOM 45 O ASP A 3 7.797 -14.061 10.750 1.00 71.03 O ATOM 46 CB ASP A 3 10.206 -12.511 12.089 1.00 42.02 C ATOM 47 CG ASP A 3 10.394 -13.982 12.415 1.00 22.13 C ATOM 48 OD1 ASP A 3 10.003 -14.417 13.515 1.00 21.13 O ATOM 49 OD2 ASP A 3 10.968 -14.701 11.575 1.00 61.31 O ATOM 0 H ASP A 3 8.273 -12.752 13.723 1.00 24.21 H new ATOM 0 HA ASP A 3 8.806 -11.038 11.484 1.00 72.30 H new ATOM 0 HB2 ASP A 3 10.822 -12.266 11.223 1.00 42.02 H new ATOM 0 HB3 ASP A 3 10.581 -11.920 12.924 1.00 42.02 H new ATOM 54 N GLY A 4 7.891 -12.166 9.551 1.00 21.53 N ATOM 55 CA GLY A 4 7.226 -12.708 8.393 1.00 52.43 C ATOM 56 C GLY A 4 6.850 -11.604 7.446 1.00 31.25 C ATOM 57 O GLY A 4 7.348 -10.487 7.568 1.00 33.44 O ATOM 0 H GLY A 4 8.168 -11.190 9.450 1.00 21.53 H new ATOM 0 HA2 GLY A 4 7.879 -13.421 7.890 1.00 52.43 H new ATOM 0 HA3 GLY A 4 6.334 -13.254 8.699 1.00 52.43 H new ATOM 61 N THR A 5 5.987 -11.887 6.487 1.00 2.35 N ATOM 62 CA THR A 5 5.577 -10.859 5.547 1.00 34.23 C ATOM 63 C THR A 5 4.066 -10.835 5.388 1.00 64.35 C ATOM 64 O THR A 5 3.447 -11.766 4.861 1.00 75.42 O ATOM 65 CB THR A 5 6.267 -11.004 4.183 1.00 22.11 C ATOM 66 OG1 THR A 5 7.606 -11.466 4.370 1.00 32.11 O ATOM 67 CG2 THR A 5 6.324 -9.664 3.467 1.00 10.22 C ATOM 0 H THR A 5 5.563 -12.803 6.339 1.00 2.35 H new ATOM 0 HA THR A 5 5.896 -9.905 5.966 1.00 34.23 H new ATOM 0 HB THR A 5 5.695 -11.714 3.586 1.00 22.11 H new ATOM 0 HG1 THR A 5 8.203 -11.001 3.747 1.00 32.11 H new ATOM 0 HG21 THR A 5 6.816 -9.788 2.502 1.00 10.22 H new ATOM 0 HG22 THR A 5 5.312 -9.291 3.312 1.00 10.22 H new ATOM 0 HG23 THR A 5 6.885 -8.952 4.072 1.00 10.22 H new ATOM 75 N TYR A 6 3.516 -9.736 5.851 1.00 35.24 N ATOM 76 CA TYR A 6 2.090 -9.501 5.949 1.00 70.45 C ATOM 77 C TYR A 6 1.598 -8.861 4.683 1.00 70.00 C ATOM 78 O TYR A 6 2.265 -8.014 4.142 1.00 63.52 O ATOM 79 CB TYR A 6 1.815 -8.536 7.119 1.00 23.15 C ATOM 80 CG TYR A 6 2.197 -9.059 8.481 1.00 52.10 C ATOM 81 CD1 TYR A 6 3.522 -9.196 8.885 1.00 31.41 C ATOM 82 CD2 TYR A 6 1.212 -9.416 9.368 1.00 60.40 C ATOM 83 CE1 TYR A 6 3.835 -9.689 10.131 1.00 1.30 C ATOM 84 CE2 TYR A 6 1.516 -9.906 10.601 1.00 45.53 C ATOM 85 CZ TYR A 6 2.822 -10.040 10.987 1.00 3.12 C ATOM 86 OH TYR A 6 3.100 -10.537 12.228 1.00 13.03 O ATOM 0 H TYR A 6 4.071 -8.948 6.184 1.00 35.24 H new ATOM 0 HA TYR A 6 1.580 -10.450 6.111 1.00 70.45 H new ATOM 0 HB2 TYR A 6 2.356 -7.607 6.939 1.00 23.15 H new ATOM 0 HB3 TYR A 6 0.753 -8.290 7.126 1.00 23.15 H new ATOM 0 HD1 TYR A 6 4.316 -8.911 8.211 1.00 31.41 H new ATOM 0 HD2 TYR A 6 0.176 -9.306 9.082 1.00 60.40 H new ATOM 0 HE1 TYR A 6 4.867 -9.798 10.432 1.00 1.30 H new ATOM 0 HE2 TYR A 6 0.723 -10.190 11.277 1.00 45.53 H new ATOM 0 HH TYR A 6 2.390 -11.156 12.499 1.00 13.03 H new ATOM 96 N TYR A 7 0.462 -9.272 4.188 1.00 45.04 N ATOM 97 CA TYR A 7 -0.132 -8.571 3.073 1.00 43.32 C ATOM 98 C TYR A 7 -1.647 -8.496 3.258 1.00 14.21 C ATOM 99 O TYR A 7 -2.264 -9.408 3.820 1.00 72.22 O ATOM 100 CB TYR A 7 0.326 -9.210 1.732 1.00 42.03 C ATOM 101 CG TYR A 7 -0.738 -9.879 0.894 1.00 71.41 C ATOM 102 CD1 TYR A 7 -1.086 -11.204 1.105 1.00 3.42 C ATOM 103 CD2 TYR A 7 -1.383 -9.179 -0.115 1.00 72.22 C ATOM 104 CE1 TYR A 7 -2.056 -11.811 0.335 1.00 12.12 C ATOM 105 CE2 TYR A 7 -2.351 -9.775 -0.887 1.00 34.43 C ATOM 106 CZ TYR A 7 -2.684 -11.090 -0.660 1.00 40.11 C ATOM 107 OH TYR A 7 -3.653 -11.687 -1.431 1.00 15.21 O ATOM 0 H TYR A 7 -0.067 -10.075 4.529 1.00 45.04 H new ATOM 0 HA TYR A 7 0.216 -7.539 3.036 1.00 43.32 H new ATOM 0 HB2 TYR A 7 0.794 -8.432 1.128 1.00 42.03 H new ATOM 0 HB3 TYR A 7 1.097 -9.948 1.954 1.00 42.03 H new ATOM 0 HD1 TYR A 7 -0.591 -11.768 1.882 1.00 3.42 H new ATOM 0 HD2 TYR A 7 -1.120 -8.148 -0.297 1.00 72.22 H new ATOM 0 HE1 TYR A 7 -2.322 -12.843 0.510 1.00 12.12 H new ATOM 0 HE2 TYR A 7 -2.847 -9.215 -1.666 1.00 34.43 H new ATOM 0 HH TYR A 7 -3.995 -11.041 -2.084 1.00 15.21 H new ATOM 117 N ALA A 8 -2.225 -7.390 2.815 1.00 55.33 N ATOM 118 CA ALA A 8 -3.663 -7.187 2.869 1.00 33.45 C ATOM 119 C ALA A 8 -4.114 -6.432 1.641 1.00 72.34 C ATOM 120 O ALA A 8 -3.401 -5.557 1.165 1.00 74.31 O ATOM 121 CB ALA A 8 -4.055 -6.416 4.113 1.00 42.45 C ATOM 0 H ALA A 8 -1.710 -6.609 2.408 1.00 55.33 H new ATOM 0 HA ALA A 8 -4.148 -8.163 2.902 1.00 33.45 H new ATOM 0 HB1 ALA A 8 -5.136 -6.277 4.130 1.00 42.45 H new ATOM 0 HB2 ALA A 8 -3.747 -6.973 4.998 1.00 42.45 H new ATOM 0 HB3 ALA A 8 -3.564 -5.443 4.107 1.00 42.45 H new ATOM 127 N GLU A 9 -5.303 -6.745 1.157 1.00 53.25 N ATOM 128 CA GLU A 9 -5.817 -6.140 -0.059 1.00 14.12 C ATOM 129 C GLU A 9 -7.018 -5.260 0.253 1.00 54.21 C ATOM 130 O GLU A 9 -7.722 -5.483 1.248 1.00 15.52 O ATOM 131 CB GLU A 9 -6.193 -7.224 -1.072 1.00 3.44 C ATOM 132 CG GLU A 9 -7.317 -8.139 -0.618 1.00 73.30 C ATOM 133 CD GLU A 9 -7.583 -9.260 -1.588 1.00 10.32 C ATOM 134 OE1 GLU A 9 -6.646 -10.020 -1.895 1.00 34.25 O ATOM 135 OE2 GLU A 9 -8.736 -9.396 -2.039 1.00 62.12 O ATOM 0 H GLU A 9 -5.934 -7.419 1.591 1.00 53.25 H new ATOM 0 HA GLU A 9 -5.038 -5.515 -0.495 1.00 14.12 H new ATOM 0 HB2 GLU A 9 -6.484 -6.746 -2.007 1.00 3.44 H new ATOM 0 HB3 GLU A 9 -5.311 -7.828 -1.284 1.00 3.44 H new ATOM 0 HG2 GLU A 9 -7.067 -8.559 0.356 1.00 73.30 H new ATOM 0 HG3 GLU A 9 -8.227 -7.553 -0.488 1.00 73.30 H new ATOM 142 N ALA A 10 -7.216 -4.232 -0.575 1.00 51.01 N ATOM 143 CA ALA A 10 -8.334 -3.308 -0.428 1.00 2.21 C ATOM 144 C ALA A 10 -9.657 -4.030 -0.652 1.00 52.11 C ATOM 145 O ALA A 10 -9.700 -5.053 -1.339 1.00 3.24 O ATOM 146 CB ALA A 10 -8.182 -2.137 -1.391 1.00 74.11 C ATOM 0 H ALA A 10 -6.605 -4.020 -1.364 1.00 51.01 H new ATOM 0 HA ALA A 10 -8.332 -2.916 0.589 1.00 2.21 H new ATOM 0 HB1 ALA A 10 -9.024 -1.455 -1.270 1.00 74.11 H new ATOM 0 HB2 ALA A 10 -7.253 -1.608 -1.177 1.00 74.11 H new ATOM 0 HB3 ALA A 10 -8.160 -2.509 -2.415 1.00 74.11 H new ATOM 152 N ASP A 11 -10.727 -3.516 -0.049 1.00 54.34 N ATOM 153 CA ASP A 11 -12.051 -4.151 -0.131 1.00 51.22 C ATOM 154 C ASP A 11 -12.562 -4.152 -1.564 1.00 0.55 C ATOM 155 O ASP A 11 -13.025 -5.173 -2.072 1.00 22.55 O ATOM 156 CB ASP A 11 -13.064 -3.435 0.771 1.00 45.02 C ATOM 157 CG ASP A 11 -12.642 -3.408 2.222 1.00 13.44 C ATOM 158 OD1 ASP A 11 -12.617 -4.476 2.866 1.00 31.54 O ATOM 159 OD2 ASP A 11 -12.321 -2.317 2.717 1.00 12.11 O ATOM 0 H ASP A 11 -10.708 -2.659 0.504 1.00 54.34 H new ATOM 0 HA ASP A 11 -11.941 -5.180 0.211 1.00 51.22 H new ATOM 0 HB2 ASP A 11 -13.199 -2.413 0.418 1.00 45.02 H new ATOM 0 HB3 ASP A 11 -14.031 -3.931 0.688 1.00 45.02 H new ATOM 164 N ASP A 12 -12.427 -3.010 -2.218 1.00 3.22 N ATOM 165 CA ASP A 12 -12.845 -2.853 -3.594 1.00 42.31 C ATOM 166 C ASP A 12 -11.620 -2.440 -4.442 1.00 4.13 C ATOM 167 O ASP A 12 -10.474 -2.603 -4.004 1.00 4.32 O ATOM 168 CB ASP A 12 -13.979 -1.809 -3.629 1.00 14.21 C ATOM 169 CG ASP A 12 -14.896 -1.937 -4.829 1.00 73.10 C ATOM 170 OD1 ASP A 12 -15.767 -2.828 -4.823 1.00 75.33 O ATOM 171 OD2 ASP A 12 -14.734 -1.154 -5.781 1.00 3.33 O ATOM 0 H ASP A 12 -12.024 -2.168 -1.807 1.00 3.22 H new ATOM 0 HA ASP A 12 -13.229 -3.782 -4.016 1.00 42.31 H new ATOM 0 HB2 ASP A 12 -14.572 -1.901 -2.719 1.00 14.21 H new ATOM 0 HB3 ASP A 12 -13.541 -0.811 -3.624 1.00 14.21 H new ATOM 176 N PHE A 13 -11.855 -1.950 -5.652 1.00 5.11 N ATOM 177 CA PHE A 13 -10.790 -1.478 -6.535 1.00 32.33 C ATOM 178 C PHE A 13 -10.903 0.036 -6.666 1.00 14.43 C ATOM 179 O PHE A 13 -12.007 0.582 -6.573 1.00 42.32 O ATOM 180 CB PHE A 13 -10.894 -2.131 -7.922 1.00 63.03 C ATOM 181 CG PHE A 13 -10.796 -3.639 -7.932 1.00 70.40 C ATOM 182 CD1 PHE A 13 -11.921 -4.433 -7.735 1.00 62.20 C ATOM 183 CD2 PHE A 13 -9.584 -4.260 -8.156 1.00 4.41 C ATOM 184 CE1 PHE A 13 -11.828 -5.810 -7.758 1.00 34.24 C ATOM 185 CE2 PHE A 13 -9.487 -5.639 -8.181 1.00 75.03 C ATOM 186 CZ PHE A 13 -10.607 -6.414 -7.982 1.00 70.03 C ATOM 0 H PHE A 13 -12.790 -1.867 -6.052 1.00 5.11 H new ATOM 0 HA PHE A 13 -9.825 -1.750 -6.108 1.00 32.33 H new ATOM 0 HB2 PHE A 13 -11.844 -1.842 -8.372 1.00 63.03 H new ATOM 0 HB3 PHE A 13 -10.105 -1.727 -8.556 1.00 63.03 H new ATOM 0 HD1 PHE A 13 -12.879 -3.966 -7.562 1.00 62.20 H new ATOM 0 HD2 PHE A 13 -8.699 -3.661 -8.314 1.00 4.41 H new ATOM 0 HE1 PHE A 13 -12.709 -6.414 -7.601 1.00 34.24 H new ATOM 0 HE2 PHE A 13 -8.531 -6.109 -8.357 1.00 75.03 H new ATOM 0 HZ PHE A 13 -10.531 -7.491 -8.001 1.00 70.03 H new ATOM 196 N ASP A 14 -9.783 0.715 -6.892 1.00 30.32 N ATOM 197 CA ASP A 14 -9.765 2.180 -6.927 1.00 63.53 C ATOM 198 C ASP A 14 -10.148 2.727 -8.328 1.00 44.12 C ATOM 199 O ASP A 14 -10.732 2.002 -9.138 1.00 42.55 O ATOM 200 CB ASP A 14 -8.387 2.693 -6.443 1.00 74.22 C ATOM 201 CG ASP A 14 -7.323 2.783 -7.527 1.00 2.33 C ATOM 202 OD1 ASP A 14 -6.968 1.754 -8.119 1.00 45.25 O ATOM 203 OD2 ASP A 14 -6.909 3.914 -7.819 1.00 62.21 O ATOM 0 H ASP A 14 -8.875 0.279 -7.054 1.00 30.32 H new ATOM 0 HA ASP A 14 -10.525 2.560 -6.245 1.00 63.53 H new ATOM 0 HB2 ASP A 14 -8.518 3.680 -5.999 1.00 74.22 H new ATOM 0 HB3 ASP A 14 -8.026 2.034 -5.653 1.00 74.22 H new ATOM 208 N GLU A 15 -9.852 4.020 -8.580 1.00 53.44 N ATOM 209 CA GLU A 15 -10.152 4.705 -9.851 1.00 65.22 C ATOM 210 C GLU A 15 -9.503 4.008 -11.057 1.00 12.44 C ATOM 211 O GLU A 15 -10.131 3.871 -12.111 1.00 52.12 O ATOM 212 CB GLU A 15 -9.643 6.154 -9.810 1.00 73.31 C ATOM 213 CG GLU A 15 -9.969 6.922 -8.531 1.00 23.34 C ATOM 214 CD GLU A 15 -11.454 7.058 -8.261 1.00 44.35 C ATOM 215 OE1 GLU A 15 -12.102 7.931 -8.875 1.00 50.33 O ATOM 216 OE2 GLU A 15 -11.971 6.322 -7.400 1.00 31.14 O ATOM 0 H GLU A 15 -9.393 4.623 -7.897 1.00 53.44 H new ATOM 0 HA GLU A 15 -11.235 4.677 -9.968 1.00 65.22 H new ATOM 0 HB2 GLU A 15 -8.561 6.146 -9.944 1.00 73.31 H new ATOM 0 HB3 GLU A 15 -10.065 6.695 -10.657 1.00 73.31 H new ATOM 0 HG2 GLU A 15 -9.500 6.418 -7.686 1.00 23.34 H new ATOM 0 HG3 GLU A 15 -9.528 7.917 -8.593 1.00 23.34 H new ATOM 223 N SER A 16 -8.252 3.558 -10.894 1.00 72.21 N ATOM 224 CA SER A 16 -7.513 2.911 -11.982 1.00 2.13 C ATOM 225 C SER A 16 -7.711 1.393 -11.982 1.00 31.52 C ATOM 226 O SER A 16 -7.127 0.687 -12.822 1.00 52.02 O ATOM 227 CB SER A 16 -6.025 3.223 -11.879 1.00 34.52 C ATOM 228 OG SER A 16 -5.807 4.605 -11.695 1.00 61.13 O ATOM 0 H SER A 16 -7.732 3.631 -10.019 1.00 72.21 H new ATOM 0 HA SER A 16 -7.909 3.309 -12.916 1.00 2.13 H new ATOM 0 HB2 SER A 16 -5.591 2.669 -11.046 1.00 34.52 H new ATOM 0 HB3 SER A 16 -5.517 2.889 -12.784 1.00 34.52 H new ATOM 0 HG SER A 16 -5.456 4.764 -10.794 1.00 61.13 H new ATOM 234 N GLY A 17 -8.518 0.895 -11.043 1.00 71.32 N ATOM 235 CA GLY A 17 -8.878 -0.513 -11.016 1.00 52.03 C ATOM 236 C GLY A 17 -7.810 -1.376 -10.394 1.00 63.03 C ATOM 237 O GLY A 17 -7.506 -2.458 -10.892 1.00 22.21 O ATOM 0 H GLY A 17 -8.931 1.450 -10.294 1.00 71.32 H new ATOM 0 HA2 GLY A 17 -9.807 -0.635 -10.460 1.00 52.03 H new ATOM 0 HA3 GLY A 17 -9.068 -0.855 -12.034 1.00 52.03 H new ATOM 241 N TRP A 18 -7.217 -0.875 -9.326 1.00 41.54 N ATOM 242 CA TRP A 18 -6.221 -1.611 -8.586 1.00 4.00 C ATOM 243 C TRP A 18 -6.705 -1.859 -7.162 1.00 23.44 C ATOM 244 O TRP A 18 -7.195 -0.956 -6.485 1.00 23.24 O ATOM 245 CB TRP A 18 -4.875 -0.865 -8.585 1.00 15.14 C ATOM 246 CG TRP A 18 -4.214 -0.764 -9.940 1.00 61.23 C ATOM 247 CD1 TRP A 18 -4.111 0.347 -10.726 1.00 63.04 C ATOM 248 CD2 TRP A 18 -3.563 -1.819 -10.662 1.00 54.54 C ATOM 249 NE1 TRP A 18 -3.431 0.044 -11.885 1.00 14.42 N ATOM 250 CE2 TRP A 18 -3.094 -1.273 -11.867 1.00 42.23 C ATOM 251 CE3 TRP A 18 -3.328 -3.165 -10.411 1.00 23.24 C ATOM 252 CZ2 TRP A 18 -2.410 -2.027 -12.809 1.00 54.51 C ATOM 253 CZ3 TRP A 18 -2.647 -3.911 -11.348 1.00 42.12 C ATOM 254 CH2 TRP A 18 -2.196 -3.340 -12.533 1.00 31.21 C ATOM 0 H TRP A 18 -7.415 0.053 -8.951 1.00 41.54 H new ATOM 0 HA TRP A 18 -6.067 -2.573 -9.074 1.00 4.00 H new ATOM 0 HB2 TRP A 18 -5.032 0.141 -8.195 1.00 15.14 H new ATOM 0 HB3 TRP A 18 -4.194 -1.370 -7.899 1.00 15.14 H new ATOM 0 HD1 TRP A 18 -4.505 1.321 -10.476 1.00 63.04 H new ATOM 0 HE1 TRP A 18 -3.215 0.701 -12.635 1.00 14.42 H new ATOM 0 HE3 TRP A 18 -3.674 -3.620 -9.495 1.00 23.24 H new ATOM 0 HZ2 TRP A 18 -2.060 -1.586 -13.730 1.00 54.51 H new ATOM 0 HZ3 TRP A 18 -2.460 -4.958 -11.159 1.00 42.12 H new ATOM 0 HH2 TRP A 18 -1.666 -3.952 -13.248 1.00 31.21 H new ATOM 265 N LYS A 19 -6.614 -3.110 -6.755 1.00 34.10 N ATOM 266 CA LYS A 19 -6.884 -3.528 -5.395 1.00 50.45 C ATOM 267 C LYS A 19 -5.584 -3.440 -4.631 1.00 10.04 C ATOM 268 O LYS A 19 -4.717 -4.307 -4.756 1.00 22.43 O ATOM 269 CB LYS A 19 -7.423 -4.961 -5.394 1.00 3.30 C ATOM 270 CG LYS A 19 -7.888 -5.486 -4.054 1.00 71.23 C ATOM 271 CD LYS A 19 -8.351 -6.925 -4.191 1.00 3.15 C ATOM 272 CE LYS A 19 -9.835 -7.040 -4.500 1.00 31.34 C ATOM 273 NZ LYS A 19 -10.665 -6.935 -3.273 1.00 13.23 N ATOM 0 H LYS A 19 -6.346 -3.877 -7.372 1.00 34.10 H new ATOM 0 HA LYS A 19 -7.635 -2.891 -4.927 1.00 50.45 H new ATOM 0 HB2 LYS A 19 -8.256 -5.017 -6.094 1.00 3.30 H new ATOM 0 HB3 LYS A 19 -6.644 -5.623 -5.772 1.00 3.30 H new ATOM 0 HG2 LYS A 19 -7.077 -5.424 -3.329 1.00 71.23 H new ATOM 0 HG3 LYS A 19 -8.702 -4.868 -3.675 1.00 71.23 H new ATOM 0 HD2 LYS A 19 -7.781 -7.411 -4.983 1.00 3.15 H new ATOM 0 HD3 LYS A 19 -8.134 -7.461 -3.267 1.00 3.15 H new ATOM 0 HE2 LYS A 19 -10.122 -6.256 -5.201 1.00 31.34 H new ATOM 0 HE3 LYS A 19 -10.031 -7.993 -4.991 1.00 31.34 H new ATOM 0 HZ1 LYS A 19 -11.626 -6.630 -3.529 1.00 13.23 H new ATOM 0 HZ2 LYS A 19 -10.710 -7.862 -2.804 1.00 13.23 H new ATOM 0 HZ3 LYS A 19 -10.242 -6.239 -2.626 1.00 13.23 H new ATOM 287 N ASP A 20 -5.446 -2.360 -3.892 1.00 45.31 N ATOM 288 CA ASP A 20 -4.178 -1.973 -3.291 1.00 55.14 C ATOM 289 C ASP A 20 -3.781 -2.944 -2.202 1.00 70.22 C ATOM 290 O ASP A 20 -4.551 -3.208 -1.281 1.00 71.04 O ATOM 291 CB ASP A 20 -4.300 -0.577 -2.683 1.00 54.21 C ATOM 292 CG ASP A 20 -4.972 0.418 -3.612 1.00 71.13 C ATOM 293 OD1 ASP A 20 -6.224 0.424 -3.671 1.00 51.21 O ATOM 294 OD2 ASP A 20 -4.265 1.212 -4.258 1.00 22.44 O ATOM 0 H ASP A 20 -6.212 -1.719 -3.687 1.00 45.31 H new ATOM 0 HA ASP A 20 -3.417 -1.979 -4.071 1.00 55.14 H new ATOM 0 HB2 ASP A 20 -4.868 -0.639 -1.755 1.00 54.21 H new ATOM 0 HB3 ASP A 20 -3.306 -0.211 -2.425 1.00 54.21 H new ATOM 299 N THR A 21 -2.573 -3.467 -2.308 1.00 51.23 N ATOM 300 CA THR A 21 -2.085 -4.403 -1.322 1.00 11.12 C ATOM 301 C THR A 21 -0.813 -3.858 -0.702 1.00 23.02 C ATOM 302 O THR A 21 0.069 -3.335 -1.395 1.00 31.42 O ATOM 303 CB THR A 21 -1.837 -5.840 -1.880 1.00 64.54 C ATOM 304 OG1 THR A 21 -0.774 -5.855 -2.813 1.00 11.40 O ATOM 305 CG2 THR A 21 -3.070 -6.409 -2.558 1.00 34.24 C ATOM 0 H THR A 21 -1.919 -3.259 -3.062 1.00 51.23 H new ATOM 0 HA THR A 21 -2.869 -4.506 -0.572 1.00 11.12 H new ATOM 0 HB THR A 21 -1.584 -6.456 -1.017 1.00 64.54 H new ATOM 0 HG1 THR A 21 -0.642 -6.768 -3.143 1.00 11.40 H new ATOM 0 HG21 THR A 21 -2.851 -7.410 -2.931 1.00 34.24 H new ATOM 0 HG22 THR A 21 -3.889 -6.460 -1.840 1.00 34.24 H new ATOM 0 HG23 THR A 21 -3.357 -5.766 -3.390 1.00 34.24 H new ATOM 313 N VAL A 22 -0.734 -3.961 0.608 1.00 65.32 N ATOM 314 CA VAL A 22 0.399 -3.433 1.336 1.00 71.33 C ATOM 315 C VAL A 22 1.130 -4.579 2.019 1.00 55.10 C ATOM 316 O VAL A 22 0.623 -5.205 2.953 1.00 54.15 O ATOM 317 CB VAL A 22 -0.013 -2.335 2.358 1.00 35.34 C ATOM 318 CG1 VAL A 22 1.196 -1.793 3.098 1.00 32.23 C ATOM 319 CG2 VAL A 22 -0.727 -1.187 1.656 1.00 61.43 C ATOM 0 H VAL A 22 -1.443 -4.407 1.191 1.00 65.32 H new ATOM 0 HA VAL A 22 1.068 -2.947 0.626 1.00 71.33 H new ATOM 0 HB VAL A 22 -0.689 -2.797 3.077 1.00 35.34 H new ATOM 0 HG11 VAL A 22 0.877 -1.027 3.805 1.00 32.23 H new ATOM 0 HG12 VAL A 22 1.686 -2.604 3.637 1.00 32.23 H new ATOM 0 HG13 VAL A 22 1.895 -1.358 2.384 1.00 32.23 H new ATOM 0 HG21 VAL A 22 -1.007 -0.430 2.389 1.00 61.43 H new ATOM 0 HG22 VAL A 22 -0.063 -0.745 0.913 1.00 61.43 H new ATOM 0 HG23 VAL A 22 -1.623 -1.563 1.163 1.00 61.43 H new ATOM 329 N THR A 23 2.305 -4.866 1.484 1.00 42.24 N ATOM 330 CA THR A 23 3.114 -5.968 1.937 1.00 10.34 C ATOM 331 C THR A 23 4.146 -5.479 2.961 1.00 13.24 C ATOM 332 O THR A 23 5.067 -4.758 2.631 1.00 15.34 O ATOM 333 CB THR A 23 3.822 -6.635 0.737 1.00 51.32 C ATOM 334 OG1 THR A 23 2.944 -6.667 -0.406 1.00 11.55 O ATOM 335 CG2 THR A 23 4.219 -8.052 1.085 1.00 54.41 C ATOM 0 H THR A 23 2.720 -4.334 0.719 1.00 42.24 H new ATOM 0 HA THR A 23 2.470 -6.705 2.416 1.00 10.34 H new ATOM 0 HB THR A 23 4.712 -6.052 0.500 1.00 51.32 H new ATOM 0 HG1 THR A 23 3.404 -7.090 -1.160 1.00 11.55 H new ATOM 0 HG21 THR A 23 4.717 -8.511 0.231 1.00 54.41 H new ATOM 0 HG22 THR A 23 4.898 -8.041 1.938 1.00 54.41 H new ATOM 0 HG23 THR A 23 3.329 -8.628 1.338 1.00 54.41 H new ATOM 343 N ILE A 24 3.959 -5.875 4.207 1.00 21.12 N ATOM 344 CA ILE A 24 4.791 -5.437 5.318 1.00 62.22 C ATOM 345 C ILE A 24 5.786 -6.534 5.678 1.00 50.23 C ATOM 346 O ILE A 24 5.384 -7.597 6.143 1.00 12.45 O ATOM 347 CB ILE A 24 3.911 -5.128 6.565 1.00 42.11 C ATOM 348 CG1 ILE A 24 2.789 -4.130 6.219 1.00 3.21 C ATOM 349 CG2 ILE A 24 4.756 -4.608 7.731 1.00 60.23 C ATOM 350 CD1 ILE A 24 3.259 -2.713 5.936 1.00 42.11 C ATOM 0 H ILE A 24 3.216 -6.518 4.481 1.00 21.12 H new ATOM 0 HA ILE A 24 5.322 -4.534 5.017 1.00 62.22 H new ATOM 0 HB ILE A 24 3.449 -6.064 6.878 1.00 42.11 H new ATOM 0 HG12 ILE A 24 2.250 -4.500 5.347 1.00 3.21 H new ATOM 0 HG13 ILE A 24 2.078 -4.104 7.045 1.00 3.21 H new ATOM 0 HG21 ILE A 24 4.110 -4.402 8.585 1.00 60.23 H new ATOM 0 HG22 ILE A 24 5.496 -5.359 8.008 1.00 60.23 H new ATOM 0 HG23 ILE A 24 5.264 -3.692 7.432 1.00 60.23 H new ATOM 0 HD11 ILE A 24 2.400 -2.084 5.703 1.00 42.11 H new ATOM 0 HD12 ILE A 24 3.770 -2.317 6.813 1.00 42.11 H new ATOM 0 HD13 ILE A 24 3.945 -2.719 5.089 1.00 42.11 H new ATOM 362 N GLU A 25 7.074 -6.275 5.500 1.00 62.31 N ATOM 363 CA GLU A 25 8.079 -7.240 5.910 1.00 21.12 C ATOM 364 C GLU A 25 8.566 -6.900 7.309 1.00 25.22 C ATOM 365 O GLU A 25 9.244 -5.894 7.537 1.00 70.41 O ATOM 366 CB GLU A 25 9.254 -7.326 4.916 1.00 42.35 C ATOM 367 CG GLU A 25 10.375 -8.238 5.405 1.00 21.13 C ATOM 368 CD GLU A 25 11.473 -8.492 4.392 1.00 32.23 C ATOM 369 OE1 GLU A 25 11.235 -9.226 3.420 1.00 1.20 O ATOM 370 OE2 GLU A 25 12.601 -7.994 4.603 1.00 61.14 O ATOM 0 H GLU A 25 7.441 -5.420 5.082 1.00 62.31 H new ATOM 0 HA GLU A 25 7.616 -8.227 5.918 1.00 21.12 H new ATOM 0 HB2 GLU A 25 8.887 -7.691 3.957 1.00 42.35 H new ATOM 0 HB3 GLU A 25 9.653 -6.326 4.745 1.00 42.35 H new ATOM 0 HG2 GLU A 25 10.818 -7.799 6.299 1.00 21.13 H new ATOM 0 HG3 GLU A 25 9.944 -9.194 5.700 1.00 21.13 H new ATOM 377 N VAL A 26 8.163 -7.744 8.243 1.00 65.44 N ATOM 378 CA VAL A 26 8.576 -7.646 9.629 1.00 52.34 C ATOM 379 C VAL A 26 9.664 -8.681 9.881 1.00 33.53 C ATOM 380 O VAL A 26 9.531 -9.838 9.515 1.00 60.41 O ATOM 381 CB VAL A 26 7.377 -7.862 10.598 1.00 41.12 C ATOM 382 CG1 VAL A 26 7.787 -7.731 12.060 1.00 75.42 C ATOM 383 CG2 VAL A 26 6.258 -6.884 10.293 1.00 25.54 C ATOM 0 H VAL A 26 7.533 -8.524 8.057 1.00 65.44 H new ATOM 0 HA VAL A 26 8.961 -6.644 9.819 1.00 52.34 H new ATOM 0 HB VAL A 26 7.023 -8.881 10.439 1.00 41.12 H new ATOM 0 HG11 VAL A 26 6.917 -7.890 12.697 1.00 75.42 H new ATOM 0 HG12 VAL A 26 8.548 -8.476 12.293 1.00 75.42 H new ATOM 0 HG13 VAL A 26 8.189 -6.734 12.237 1.00 75.42 H new ATOM 0 HG21 VAL A 26 5.430 -7.052 10.982 1.00 25.54 H new ATOM 0 HG22 VAL A 26 6.625 -5.864 10.409 1.00 25.54 H new ATOM 0 HG23 VAL A 26 5.914 -7.032 9.269 1.00 25.54 H new ATOM 393 N LYS A 27 10.754 -8.241 10.459 1.00 30.25 N ATOM 394 CA LYS A 27 11.866 -9.099 10.780 1.00 32.12 C ATOM 395 C LYS A 27 12.489 -8.584 12.060 1.00 54.35 C ATOM 396 O LYS A 27 12.683 -7.374 12.196 1.00 54.42 O ATOM 397 CB LYS A 27 12.868 -9.063 9.634 1.00 25.15 C ATOM 398 CG LYS A 27 13.979 -10.095 9.702 1.00 44.14 C ATOM 399 CD LYS A 27 14.928 -9.948 8.520 1.00 62.42 C ATOM 400 CE LYS A 27 14.198 -10.088 7.192 1.00 42.01 C ATOM 401 NZ LYS A 27 15.085 -9.818 6.038 1.00 73.45 N ATOM 0 H LYS A 27 10.895 -7.266 10.723 1.00 30.25 H new ATOM 0 HA LYS A 27 11.546 -10.131 10.920 1.00 32.12 H new ATOM 0 HB2 LYS A 27 12.327 -9.199 8.698 1.00 25.15 H new ATOM 0 HB3 LYS A 27 13.319 -8.071 9.600 1.00 25.15 H new ATOM 0 HG2 LYS A 27 14.532 -9.980 10.634 1.00 44.14 H new ATOM 0 HG3 LYS A 27 13.550 -11.097 9.707 1.00 44.14 H new ATOM 0 HD2 LYS A 27 15.418 -8.975 8.565 1.00 62.42 H new ATOM 0 HD3 LYS A 27 15.711 -10.703 8.586 1.00 62.42 H new ATOM 0 HE2 LYS A 27 13.790 -11.095 7.107 1.00 42.01 H new ATOM 0 HE3 LYS A 27 13.354 -9.399 7.169 1.00 42.01 H new ATOM 0 HZ1 LYS A 27 14.547 -9.925 5.154 1.00 73.45 H new ATOM 0 HZ2 LYS A 27 15.454 -8.848 6.104 1.00 73.45 H new ATOM 0 HZ3 LYS A 27 15.877 -10.491 6.044 1.00 73.45 H new ATOM 415 N ASN A 28 12.761 -9.505 12.998 1.00 24.21 N ATOM 416 CA ASN A 28 13.330 -9.193 14.330 1.00 13.22 C ATOM 417 C ASN A 28 12.311 -8.445 15.207 1.00 30.31 C ATOM 418 O ASN A 28 12.683 -7.732 16.146 1.00 4.42 O ATOM 419 CB ASN A 28 14.647 -8.386 14.238 1.00 62.35 C ATOM 420 CG ASN A 28 15.730 -9.069 13.426 1.00 54.12 C ATOM 421 OD1 ASN A 28 16.425 -9.952 13.911 1.00 42.53 O ATOM 422 ND2 ASN A 28 15.905 -8.623 12.192 1.00 32.32 N ATOM 0 H ASN A 28 12.592 -10.501 12.856 1.00 24.21 H new ATOM 0 HA ASN A 28 13.564 -10.150 14.796 1.00 13.22 H new ATOM 0 HB2 ASN A 28 14.435 -7.412 13.796 1.00 62.35 H new ATOM 0 HB3 ASN A 28 15.022 -8.204 15.245 1.00 62.35 H new ATOM 0 HD21 ASN A 28 16.642 -9.017 11.607 1.00 32.32 H new ATOM 0 HD22 ASN A 28 15.303 -7.885 11.826 1.00 32.32 H new ATOM 429 N GLY A 29 11.022 -8.649 14.910 1.00 43.13 N ATOM 430 CA GLY A 29 9.950 -7.986 15.637 1.00 11.54 C ATOM 431 C GLY A 29 9.593 -6.602 15.114 1.00 11.05 C ATOM 432 O GLY A 29 8.630 -5.994 15.586 1.00 23.04 O ATOM 0 H GLY A 29 10.703 -9.271 14.168 1.00 43.13 H new ATOM 0 HA2 GLY A 29 9.060 -8.615 15.600 1.00 11.54 H new ATOM 0 HA3 GLY A 29 10.237 -7.901 16.685 1.00 11.54 H new ATOM 436 N LYS A 30 10.349 -6.106 14.139 1.00 3.43 N ATOM 437 CA LYS A 30 10.153 -4.751 13.629 1.00 5.51 C ATOM 438 C LYS A 30 10.085 -4.717 12.103 1.00 52.52 C ATOM 439 O LYS A 30 10.553 -5.628 11.446 1.00 33.52 O ATOM 440 CB LYS A 30 11.273 -3.841 14.141 1.00 11.12 C ATOM 441 CG LYS A 30 12.687 -4.342 13.872 1.00 51.23 C ATOM 442 CD LYS A 30 13.722 -3.286 14.219 1.00 13.10 C ATOM 443 CE LYS A 30 13.660 -2.107 13.259 1.00 64.25 C ATOM 444 NZ LYS A 30 14.616 -1.038 13.633 1.00 73.24 N ATOM 0 H LYS A 30 11.103 -6.621 13.686 1.00 3.43 H new ATOM 0 HA LYS A 30 9.194 -4.388 13.997 1.00 5.51 H new ATOM 0 HB2 LYS A 30 11.159 -2.858 13.683 1.00 11.12 H new ATOM 0 HB3 LYS A 30 11.150 -3.708 15.216 1.00 11.12 H new ATOM 0 HG2 LYS A 30 12.873 -5.243 14.457 1.00 51.23 H new ATOM 0 HG3 LYS A 30 12.784 -4.618 12.822 1.00 51.23 H new ATOM 0 HD2 LYS A 30 13.558 -2.936 15.238 1.00 13.10 H new ATOM 0 HD3 LYS A 30 14.718 -3.728 14.190 1.00 13.10 H new ATOM 0 HE2 LYS A 30 13.877 -2.451 12.248 1.00 64.25 H new ATOM 0 HE3 LYS A 30 12.648 -1.701 13.247 1.00 64.25 H new ATOM 0 HZ1 LYS A 30 14.542 -0.253 12.954 1.00 73.24 H new ATOM 0 HZ2 LYS A 30 14.393 -0.692 14.588 1.00 73.24 H new ATOM 0 HZ3 LYS A 30 15.584 -1.418 13.619 1.00 73.24 H new ATOM 458 N ILE A 31 9.514 -3.656 11.544 1.00 2.01 N ATOM 459 CA ILE A 31 9.380 -3.524 10.091 1.00 32.15 C ATOM 460 C ILE A 31 10.730 -3.137 9.473 1.00 2.21 C ATOM 461 O ILE A 31 11.280 -2.084 9.773 1.00 31.21 O ATOM 462 CB ILE A 31 8.307 -2.466 9.711 1.00 32.41 C ATOM 463 CG1 ILE A 31 6.977 -2.769 10.422 1.00 40.33 C ATOM 464 CG2 ILE A 31 8.102 -2.421 8.195 1.00 55.42 C ATOM 465 CD1 ILE A 31 5.923 -1.689 10.255 1.00 42.41 C ATOM 0 H ILE A 31 9.134 -2.871 12.073 1.00 2.01 H new ATOM 0 HA ILE A 31 9.059 -4.488 9.697 1.00 32.15 H new ATOM 0 HB ILE A 31 8.662 -1.489 10.038 1.00 32.41 H new ATOM 0 HG12 ILE A 31 6.580 -3.710 10.041 1.00 40.33 H new ATOM 0 HG13 ILE A 31 7.170 -2.911 11.485 1.00 40.33 H new ATOM 0 HG21 ILE A 31 7.347 -1.674 7.952 1.00 55.42 H new ATOM 0 HG22 ILE A 31 9.042 -2.159 7.708 1.00 55.42 H new ATOM 0 HG23 ILE A 31 7.772 -3.398 7.843 1.00 55.42 H new ATOM 0 HD11 ILE A 31 5.017 -1.980 10.786 1.00 42.41 H new ATOM 0 HD12 ILE A 31 6.297 -0.750 10.662 1.00 42.41 H new ATOM 0 HD13 ILE A 31 5.698 -1.561 9.196 1.00 42.41 H new ATOM 477 N VAL A 32 11.265 -3.997 8.626 1.00 31.13 N ATOM 478 CA VAL A 32 12.558 -3.741 7.998 1.00 41.44 C ATOM 479 C VAL A 32 12.402 -3.390 6.515 1.00 14.12 C ATOM 480 O VAL A 32 13.312 -2.820 5.905 1.00 32.05 O ATOM 481 CB VAL A 32 13.536 -4.937 8.161 1.00 63.34 C ATOM 482 CG1 VAL A 32 13.858 -5.169 9.630 1.00 11.14 C ATOM 483 CG2 VAL A 32 12.980 -6.206 7.532 1.00 21.54 C ATOM 0 H VAL A 32 10.829 -4.878 8.354 1.00 31.13 H new ATOM 0 HA VAL A 32 12.987 -2.883 8.517 1.00 41.44 H new ATOM 0 HB VAL A 32 14.456 -4.682 7.636 1.00 63.34 H new ATOM 0 HG11 VAL A 32 14.544 -6.011 9.724 1.00 11.14 H new ATOM 0 HG12 VAL A 32 14.322 -4.275 10.046 1.00 11.14 H new ATOM 0 HG13 VAL A 32 12.939 -5.388 10.174 1.00 11.14 H new ATOM 0 HG21 VAL A 32 13.692 -7.021 7.666 1.00 21.54 H new ATOM 0 HG22 VAL A 32 12.036 -6.466 8.011 1.00 21.54 H new ATOM 0 HG23 VAL A 32 12.813 -6.041 6.467 1.00 21.54 H new ATOM 493 N SER A 33 11.234 -3.708 5.952 1.00 53.34 N ATOM 494 CA SER A 33 10.978 -3.509 4.535 1.00 24.24 C ATOM 495 C SER A 33 9.472 -3.427 4.305 1.00 33.35 C ATOM 496 O SER A 33 8.682 -3.845 5.151 1.00 13.34 O ATOM 497 CB SER A 33 11.598 -4.655 3.704 1.00 60.22 C ATOM 498 OG SER A 33 11.642 -4.345 2.316 1.00 11.22 O ATOM 0 H SER A 33 10.449 -4.107 6.466 1.00 53.34 H new ATOM 0 HA SER A 33 11.441 -2.577 4.211 1.00 24.24 H new ATOM 0 HB2 SER A 33 12.607 -4.857 4.062 1.00 60.22 H new ATOM 0 HB3 SER A 33 11.018 -5.566 3.854 1.00 60.22 H new ATOM 0 HG SER A 33 12.544 -4.047 2.076 1.00 11.22 H new ATOM 504 N VAL A 34 9.091 -2.845 3.188 1.00 75.44 N ATOM 505 CA VAL A 34 7.695 -2.743 2.785 1.00 45.11 C ATOM 506 C VAL A 34 7.606 -2.690 1.250 1.00 2.51 C ATOM 507 O VAL A 34 8.446 -2.076 0.585 1.00 44.14 O ATOM 508 CB VAL A 34 6.973 -1.528 3.470 1.00 62.43 C ATOM 509 CG1 VAL A 34 7.590 -0.202 3.086 1.00 34.33 C ATOM 510 CG2 VAL A 34 5.477 -1.511 3.181 1.00 61.53 C ATOM 0 H VAL A 34 9.743 -2.424 2.525 1.00 75.44 H new ATOM 0 HA VAL A 34 7.164 -3.631 3.128 1.00 45.11 H new ATOM 0 HB VAL A 34 7.112 -1.668 4.542 1.00 62.43 H new ATOM 0 HG11 VAL A 34 7.056 0.606 3.585 1.00 34.33 H new ATOM 0 HG12 VAL A 34 8.637 -0.186 3.389 1.00 34.33 H new ATOM 0 HG13 VAL A 34 7.523 -0.069 2.006 1.00 34.33 H new ATOM 0 HG21 VAL A 34 5.021 -0.653 3.675 1.00 61.53 H new ATOM 0 HG22 VAL A 34 5.315 -1.439 2.106 1.00 61.53 H new ATOM 0 HG23 VAL A 34 5.024 -2.429 3.555 1.00 61.53 H new ATOM 520 N ASP A 35 6.615 -3.380 0.714 1.00 24.52 N ATOM 521 CA ASP A 35 6.394 -3.479 -0.717 1.00 33.44 C ATOM 522 C ASP A 35 4.978 -3.078 -1.083 1.00 44.22 C ATOM 523 O ASP A 35 4.033 -3.338 -0.335 1.00 71.54 O ATOM 524 CB ASP A 35 6.663 -4.900 -1.204 1.00 75.52 C ATOM 525 CG ASP A 35 8.027 -5.034 -1.825 1.00 71.14 C ATOM 526 OD1 ASP A 35 8.149 -4.800 -3.045 1.00 40.10 O ATOM 527 OD2 ASP A 35 8.995 -5.366 -1.110 1.00 4.14 O ATOM 0 H ASP A 35 5.931 -3.895 1.269 1.00 24.52 H new ATOM 0 HA ASP A 35 7.087 -2.793 -1.204 1.00 33.44 H new ATOM 0 HB2 ASP A 35 6.576 -5.593 -0.367 1.00 75.52 H new ATOM 0 HB3 ASP A 35 5.903 -5.184 -1.933 1.00 75.52 H new ATOM 532 N TRP A 36 4.841 -2.429 -2.225 1.00 72.20 N ATOM 533 CA TRP A 36 3.538 -2.020 -2.730 1.00 33.03 C ATOM 534 C TRP A 36 3.170 -2.809 -3.980 1.00 33.14 C ATOM 535 O TRP A 36 3.856 -2.765 -4.999 1.00 0.43 O ATOM 536 CB TRP A 36 3.472 -0.495 -2.984 1.00 42.33 C ATOM 537 CG TRP A 36 4.786 0.163 -3.339 1.00 23.44 C ATOM 538 CD1 TRP A 36 5.660 0.746 -2.465 1.00 63.34 C ATOM 539 CD2 TRP A 36 5.369 0.322 -4.644 1.00 11.54 C ATOM 540 NE1 TRP A 36 6.745 1.237 -3.139 1.00 73.11 N ATOM 541 CE2 TRP A 36 6.592 0.989 -4.474 1.00 52.11 C ATOM 542 CE3 TRP A 36 4.983 -0.048 -5.936 1.00 2.02 C ATOM 543 CZ2 TRP A 36 7.427 1.296 -5.542 1.00 21.34 C ATOM 544 CZ3 TRP A 36 5.810 0.262 -6.994 1.00 53.04 C ATOM 545 CH2 TRP A 36 7.020 0.924 -6.791 1.00 50.10 C ATOM 0 H TRP A 36 5.623 -2.171 -2.827 1.00 72.20 H new ATOM 0 HA TRP A 36 2.801 -2.245 -1.960 1.00 33.03 H new ATOM 0 HB2 TRP A 36 2.763 -0.309 -3.791 1.00 42.33 H new ATOM 0 HB3 TRP A 36 3.073 -0.013 -2.092 1.00 42.33 H new ATOM 0 HD1 TRP A 36 5.515 0.810 -1.397 1.00 63.34 H new ATOM 0 HE1 TRP A 36 7.541 1.712 -2.713 1.00 73.11 H new ATOM 0 HE3 TRP A 36 4.051 -0.569 -6.102 1.00 2.02 H new ATOM 0 HZ2 TRP A 36 8.364 1.810 -5.389 1.00 21.34 H new ATOM 0 HZ3 TRP A 36 5.516 -0.012 -7.996 1.00 53.04 H new ATOM 0 HH2 TRP A 36 7.649 1.147 -7.640 1.00 50.10 H new ATOM 556 N ASN A 37 2.101 -3.574 -3.871 1.00 71.30 N ATOM 557 CA ASN A 37 1.575 -4.347 -4.990 1.00 31.01 C ATOM 558 C ASN A 37 0.111 -3.970 -5.186 1.00 44.21 C ATOM 559 O ASN A 37 -0.440 -3.231 -4.361 1.00 33.32 O ATOM 560 CB ASN A 37 1.722 -5.855 -4.720 1.00 71.43 C ATOM 561 CG ASN A 37 3.160 -6.341 -4.736 1.00 61.34 C ATOM 562 OD1 ASN A 37 3.854 -6.319 -3.717 1.00 11.42 O ATOM 563 ND2 ASN A 37 3.609 -6.809 -5.890 1.00 14.45 N ATOM 0 H ASN A 37 1.570 -3.680 -3.007 1.00 71.30 H new ATOM 0 HA ASN A 37 2.136 -4.122 -5.897 1.00 31.01 H new ATOM 0 HB2 ASN A 37 1.281 -6.086 -3.751 1.00 71.43 H new ATOM 0 HB3 ASN A 37 1.153 -6.406 -5.469 1.00 71.43 H new ATOM 0 HD21 ASN A 37 4.561 -7.169 -5.959 1.00 14.45 H new ATOM 0 HD22 ASN A 37 3.003 -6.810 -6.710 1.00 14.45 H new ATOM 570 N ALA A 38 -0.533 -4.456 -6.251 1.00 42.52 N ATOM 571 CA ALA A 38 -1.944 -4.136 -6.505 1.00 30.53 C ATOM 572 C ALA A 38 -2.549 -5.113 -7.498 1.00 15.14 C ATOM 573 O ALA A 38 -1.912 -5.459 -8.475 1.00 72.34 O ATOM 574 CB ALA A 38 -2.090 -2.710 -7.028 1.00 54.13 C ATOM 0 H ALA A 38 -0.106 -5.067 -6.947 1.00 42.52 H new ATOM 0 HA ALA A 38 -2.480 -4.220 -5.559 1.00 30.53 H new ATOM 0 HB1 ALA A 38 -3.143 -2.495 -7.209 1.00 54.13 H new ATOM 0 HB2 ALA A 38 -1.698 -2.010 -6.290 1.00 54.13 H new ATOM 0 HB3 ALA A 38 -1.533 -2.605 -7.959 1.00 54.13 H new ATOM 580 N ILE A 39 -3.790 -5.522 -7.268 1.00 23.05 N ATOM 581 CA ILE A 39 -4.437 -6.530 -8.114 1.00 40.41 C ATOM 582 C ILE A 39 -5.384 -5.854 -9.111 1.00 35.44 C ATOM 583 O ILE A 39 -6.214 -5.047 -8.730 1.00 73.14 O ATOM 584 CB ILE A 39 -5.238 -7.561 -7.267 1.00 61.14 C ATOM 585 CG1 ILE A 39 -4.441 -7.975 -6.015 1.00 75.15 C ATOM 586 CG2 ILE A 39 -5.567 -8.790 -8.117 1.00 41.42 C ATOM 587 CD1 ILE A 39 -5.214 -8.850 -5.049 1.00 12.52 C ATOM 0 H ILE A 39 -4.372 -5.175 -6.506 1.00 23.05 H new ATOM 0 HA ILE A 39 -3.650 -7.061 -8.650 1.00 40.41 H new ATOM 0 HB ILE A 39 -6.168 -7.095 -6.940 1.00 61.14 H new ATOM 0 HG12 ILE A 39 -3.542 -8.506 -6.329 1.00 75.15 H new ATOM 0 HG13 ILE A 39 -4.114 -7.076 -5.492 1.00 75.15 H new ATOM 0 HG21 ILE A 39 -6.128 -9.507 -7.518 1.00 41.42 H new ATOM 0 HG22 ILE A 39 -6.166 -8.488 -8.976 1.00 41.42 H new ATOM 0 HG23 ILE A 39 -4.642 -9.251 -8.463 1.00 41.42 H new ATOM 0 HD11 ILE A 39 -4.582 -9.097 -4.196 1.00 12.52 H new ATOM 0 HD12 ILE A 39 -6.099 -8.316 -4.703 1.00 12.52 H new ATOM 0 HD13 ILE A 39 -5.518 -9.768 -5.553 1.00 12.52 H new ATOM 599 N ASN A 40 -5.246 -6.189 -10.384 1.00 45.02 N ATOM 600 CA ASN A 40 -6.016 -5.556 -11.453 1.00 42.23 C ATOM 601 C ASN A 40 -7.450 -6.076 -11.497 1.00 64.12 C ATOM 602 O ASN A 40 -7.696 -7.265 -11.305 1.00 12.44 O ATOM 603 CB ASN A 40 -5.312 -5.766 -12.800 1.00 24.53 C ATOM 604 CG ASN A 40 -5.915 -4.946 -13.923 1.00 10.21 C ATOM 605 OD1 ASN A 40 -6.709 -5.441 -14.711 1.00 61.10 O ATOM 606 ND2 ASN A 40 -5.561 -3.675 -13.979 1.00 55.53 N ATOM 0 H ASN A 40 -4.598 -6.907 -10.709 1.00 45.02 H new ATOM 0 HA ASN A 40 -6.070 -4.487 -11.247 1.00 42.23 H new ATOM 0 HB2 ASN A 40 -4.258 -5.508 -12.696 1.00 24.53 H new ATOM 0 HB3 ASN A 40 -5.357 -6.822 -13.065 1.00 24.53 H new ATOM 0 HD21 ASN A 40 -5.953 -3.068 -14.699 1.00 55.53 H new ATOM 0 HD22 ASN A 40 -4.895 -3.301 -13.303 1.00 55.53 H new ATOM 613 N LYS A 41 -8.377 -5.151 -11.728 1.00 31.41 N ATOM 614 CA LYS A 41 -9.810 -5.430 -11.750 1.00 32.25 C ATOM 615 C LYS A 41 -10.229 -6.254 -12.968 1.00 72.31 C ATOM 616 O LYS A 41 -11.030 -7.179 -12.845 1.00 31.52 O ATOM 617 CB LYS A 41 -10.574 -4.104 -11.722 1.00 11.32 C ATOM 618 CG LYS A 41 -12.072 -4.257 -11.564 1.00 42.21 C ATOM 619 CD LYS A 41 -12.760 -2.912 -11.522 1.00 41.32 C ATOM 620 CE LYS A 41 -14.257 -3.076 -11.382 1.00 74.11 C ATOM 621 NZ LYS A 41 -14.947 -1.778 -11.188 1.00 44.04 N ATOM 0 H LYS A 41 -8.151 -4.173 -11.908 1.00 31.41 H new ATOM 0 HA LYS A 41 -10.050 -6.028 -10.871 1.00 32.25 H new ATOM 0 HB2 LYS A 41 -10.193 -3.495 -10.902 1.00 11.32 H new ATOM 0 HB3 LYS A 41 -10.370 -3.560 -12.644 1.00 11.32 H new ATOM 0 HG2 LYS A 41 -12.469 -4.845 -12.391 1.00 42.21 H new ATOM 0 HG3 LYS A 41 -12.289 -4.808 -10.649 1.00 42.21 H new ATOM 0 HD2 LYS A 41 -12.374 -2.328 -10.687 1.00 41.32 H new ATOM 0 HD3 LYS A 41 -12.535 -2.355 -12.431 1.00 41.32 H new ATOM 0 HE2 LYS A 41 -14.652 -3.566 -12.272 1.00 74.11 H new ATOM 0 HE3 LYS A 41 -14.472 -3.730 -10.537 1.00 74.11 H new ATOM 0 HZ1 LYS A 41 -15.970 -1.939 -11.097 1.00 44.04 H new ATOM 0 HZ2 LYS A 41 -14.590 -1.321 -10.325 1.00 44.04 H new ATOM 0 HZ3 LYS A 41 -14.765 -1.162 -12.006 1.00 44.04 H new ATOM 635 N ASP A 42 -9.673 -5.923 -14.129 1.00 45.40 N ATOM 636 CA ASP A 42 -10.032 -6.585 -15.380 1.00 72.22 C ATOM 637 C ASP A 42 -9.386 -7.975 -15.475 1.00 44.43 C ATOM 638 O ASP A 42 -10.033 -8.938 -15.890 1.00 32.12 O ATOM 639 CB ASP A 42 -9.622 -5.703 -16.572 1.00 34.31 C ATOM 640 CG ASP A 42 -10.037 -6.278 -17.915 1.00 34.43 C ATOM 641 OD1 ASP A 42 -11.223 -6.166 -18.274 1.00 53.33 O ATOM 642 OD2 ASP A 42 -9.176 -6.839 -18.620 1.00 32.14 O ATOM 0 H ASP A 42 -8.966 -5.194 -14.230 1.00 45.40 H new ATOM 0 HA ASP A 42 -11.113 -6.726 -15.403 1.00 72.22 H new ATOM 0 HB2 ASP A 42 -10.067 -4.715 -16.454 1.00 34.31 H new ATOM 0 HB3 ASP A 42 -8.540 -5.569 -16.561 1.00 34.31 H new ATOM 647 N GLY A 43 -8.130 -8.073 -15.050 1.00 24.33 N ATOM 648 CA GLY A 43 -7.384 -9.309 -15.193 1.00 40.11 C ATOM 649 C GLY A 43 -7.555 -10.253 -14.020 1.00 44.41 C ATOM 650 O GLY A 43 -7.994 -11.392 -14.192 1.00 13.23 O ATOM 0 H GLY A 43 -7.614 -7.313 -14.607 1.00 24.33 H new ATOM 0 HA2 GLY A 43 -7.702 -9.813 -16.105 1.00 40.11 H new ATOM 0 HA3 GLY A 43 -6.326 -9.075 -15.310 1.00 40.11 H new ATOM 654 N GLY A 44 -7.236 -9.767 -12.831 1.00 74.40 N ATOM 655 CA GLY A 44 -7.167 -10.626 -11.659 1.00 24.13 C ATOM 656 C GLY A 44 -5.734 -10.982 -11.308 1.00 53.44 C ATOM 657 O GLY A 44 -5.480 -11.833 -10.459 1.00 32.23 O ATOM 0 H GLY A 44 -7.021 -8.786 -12.652 1.00 74.40 H new ATOM 0 HA2 GLY A 44 -7.635 -10.125 -10.812 1.00 24.13 H new ATOM 0 HA3 GLY A 44 -7.734 -11.538 -11.843 1.00 24.13 H new ATOM 661 N ASP A 45 -4.802 -10.328 -11.990 1.00 15.42 N ATOM 662 CA ASP A 45 -3.376 -10.515 -11.758 1.00 30.42 C ATOM 663 C ASP A 45 -2.801 -9.261 -11.133 1.00 1.34 C ATOM 664 O ASP A 45 -3.441 -8.217 -11.159 1.00 71.10 O ATOM 665 CB ASP A 45 -2.652 -10.818 -13.076 1.00 45.24 C ATOM 666 CG ASP A 45 -3.138 -12.091 -13.734 1.00 44.40 C ATOM 667 OD1 ASP A 45 -2.654 -13.179 -13.375 1.00 72.14 O ATOM 668 OD2 ASP A 45 -4.008 -12.004 -14.624 1.00 2.43 O ATOM 0 H ASP A 45 -5.015 -9.651 -12.722 1.00 15.42 H new ATOM 0 HA ASP A 45 -3.234 -11.360 -11.084 1.00 30.42 H new ATOM 0 HB2 ASP A 45 -2.793 -9.983 -13.763 1.00 45.24 H new ATOM 0 HB3 ASP A 45 -1.582 -10.898 -12.887 1.00 45.24 H new ATOM 673 N ASP A 46 -1.591 -9.349 -10.601 1.00 42.23 N ATOM 674 CA ASP A 46 -0.987 -8.216 -9.901 1.00 62.02 C ATOM 675 C ASP A 46 -0.335 -7.247 -10.907 1.00 33.33 C ATOM 676 O ASP A 46 -0.227 -7.553 -12.098 1.00 41.53 O ATOM 677 CB ASP A 46 0.047 -8.737 -8.882 1.00 22.22 C ATOM 678 CG ASP A 46 0.396 -7.741 -7.791 1.00 72.03 C ATOM 679 OD1 ASP A 46 -0.348 -7.656 -6.796 1.00 13.12 O ATOM 680 OD2 ASP A 46 1.426 -7.041 -7.931 1.00 32.32 O ATOM 0 H ASP A 46 -1.008 -10.185 -10.638 1.00 42.23 H new ATOM 0 HA ASP A 46 -1.761 -7.666 -9.366 1.00 62.02 H new ATOM 0 HB2 ASP A 46 -0.340 -9.645 -8.420 1.00 22.22 H new ATOM 0 HB3 ASP A 46 0.958 -9.012 -9.413 1.00 22.22 H new ATOM 685 N LYS A 47 0.064 -6.068 -10.414 1.00 51.14 N ATOM 686 CA LYS A 47 0.849 -5.079 -11.159 1.00 45.23 C ATOM 687 C LYS A 47 2.186 -5.682 -11.601 1.00 12.15 C ATOM 688 O LYS A 47 2.681 -5.380 -12.693 1.00 20.11 O ATOM 689 CB LYS A 47 1.089 -3.848 -10.267 1.00 33.52 C ATOM 690 CG LYS A 47 1.745 -2.667 -10.981 1.00 54.13 C ATOM 691 CD LYS A 47 2.033 -1.497 -10.038 1.00 43.14 C ATOM 692 CE LYS A 47 0.763 -0.870 -9.463 1.00 4.33 C ATOM 693 NZ LYS A 47 -0.116 -0.315 -10.525 1.00 31.45 N ATOM 0 H LYS A 47 -0.156 -5.769 -9.464 1.00 51.14 H new ATOM 0 HA LYS A 47 0.299 -4.780 -12.051 1.00 45.23 H new ATOM 0 HB2 LYS A 47 0.134 -3.522 -9.854 1.00 33.52 H new ATOM 0 HB3 LYS A 47 1.716 -4.142 -9.425 1.00 33.52 H new ATOM 0 HG2 LYS A 47 2.677 -2.997 -11.440 1.00 54.13 H new ATOM 0 HG3 LYS A 47 1.095 -2.328 -11.787 1.00 54.13 H new ATOM 0 HD2 LYS A 47 2.664 -1.843 -9.219 1.00 43.14 H new ATOM 0 HD3 LYS A 47 2.598 -0.735 -10.575 1.00 43.14 H new ATOM 0 HE2 LYS A 47 0.214 -1.620 -8.894 1.00 4.33 H new ATOM 0 HE3 LYS A 47 1.034 -0.077 -8.766 1.00 4.33 H new ATOM 0 HZ1 LYS A 47 -0.662 0.483 -10.142 1.00 31.45 H new ATOM 0 HZ2 LYS A 47 0.467 0.015 -11.321 1.00 31.45 H new ATOM 0 HZ3 LYS A 47 -0.769 -1.054 -10.856 1.00 31.45 H new ATOM 707 N ASP A 48 2.734 -6.550 -10.738 1.00 51.32 N ATOM 708 CA ASP A 48 3.940 -7.310 -11.031 1.00 62.23 C ATOM 709 C ASP A 48 3.700 -8.301 -12.171 1.00 41.04 C ATOM 710 O ASP A 48 4.482 -8.349 -13.107 1.00 14.01 O ATOM 711 CB ASP A 48 4.408 -8.066 -9.786 1.00 34.32 C ATOM 712 CG ASP A 48 5.733 -8.773 -10.005 1.00 54.22 C ATOM 713 OD1 ASP A 48 6.776 -8.126 -9.829 1.00 12.25 O ATOM 714 OD2 ASP A 48 5.734 -9.973 -10.358 1.00 15.14 O ATOM 0 H ASP A 48 2.345 -6.740 -9.814 1.00 51.32 H new ATOM 0 HA ASP A 48 4.713 -6.605 -11.338 1.00 62.23 H new ATOM 0 HB2 ASP A 48 4.504 -7.368 -8.955 1.00 34.32 H new ATOM 0 HB3 ASP A 48 3.651 -8.797 -9.502 1.00 34.32 H new ATOM 719 N THR A 49 2.601 -9.060 -12.079 1.00 53.50 N ATOM 720 CA THR A 49 2.263 -10.103 -13.056 1.00 62.10 C ATOM 721 C THR A 49 1.986 -9.511 -14.448 1.00 25.23 C ATOM 722 O THR A 49 2.403 -10.070 -15.462 1.00 33.54 O ATOM 723 CB THR A 49 1.035 -10.908 -12.575 1.00 73.54 C ATOM 724 OG1 THR A 49 1.179 -11.218 -11.183 1.00 30.42 O ATOM 725 CG2 THR A 49 0.876 -12.209 -13.354 1.00 73.12 C ATOM 0 H THR A 49 1.921 -8.968 -11.325 1.00 53.50 H new ATOM 0 HA THR A 49 3.124 -10.767 -13.139 1.00 62.10 H new ATOM 0 HB THR A 49 0.150 -10.294 -12.742 1.00 73.54 H new ATOM 0 HG1 THR A 49 0.399 -11.727 -10.879 1.00 30.42 H new ATOM 0 HG21 THR A 49 0.002 -12.748 -12.988 1.00 73.12 H new ATOM 0 HG22 THR A 49 0.747 -11.986 -14.413 1.00 73.12 H new ATOM 0 HG23 THR A 49 1.765 -12.825 -13.219 1.00 73.12 H new ATOM 733 N LEU A 50 1.323 -8.354 -14.482 1.00 63.41 N ATOM 734 CA LEU A 50 1.063 -7.635 -15.728 1.00 63.02 C ATOM 735 C LEU A 50 2.343 -7.069 -16.335 1.00 12.05 C ATOM 736 O LEU A 50 2.465 -7.000 -17.548 1.00 51.11 O ATOM 737 CB LEU A 50 0.030 -6.526 -15.528 1.00 31.22 C ATOM 738 CG LEU A 50 -1.411 -7.002 -15.326 1.00 33.21 C ATOM 739 CD1 LEU A 50 -2.340 -5.810 -15.225 1.00 73.11 C ATOM 740 CD2 LEU A 50 -1.851 -7.919 -16.465 1.00 64.15 C ATOM 0 H LEU A 50 0.953 -7.892 -13.651 1.00 63.41 H new ATOM 0 HA LEU A 50 0.653 -8.361 -16.431 1.00 63.02 H new ATOM 0 HB2 LEU A 50 0.323 -5.931 -14.663 1.00 31.22 H new ATOM 0 HB3 LEU A 50 0.059 -5.865 -16.394 1.00 31.22 H new ATOM 0 HG LEU A 50 -1.456 -7.571 -14.398 1.00 33.21 H new ATOM 0 HD11 LEU A 50 -3.363 -6.157 -15.081 1.00 73.11 H new ATOM 0 HD12 LEU A 50 -2.045 -5.190 -14.379 1.00 73.11 H new ATOM 0 HD13 LEU A 50 -2.281 -5.224 -16.142 1.00 73.11 H new ATOM 0 HD21 LEU A 50 -2.878 -8.242 -16.296 1.00 64.15 H new ATOM 0 HD22 LEU A 50 -1.791 -7.379 -17.410 1.00 64.15 H new ATOM 0 HD23 LEU A 50 -1.198 -8.791 -16.503 1.00 64.15 H new ATOM 752 N SER A 51 3.288 -6.665 -15.483 1.00 21.33 N ATOM 753 CA SER A 51 4.601 -6.202 -15.928 1.00 64.12 C ATOM 754 C SER A 51 5.426 -7.356 -16.541 1.00 42.22 C ATOM 755 O SER A 51 6.242 -7.129 -17.433 1.00 64.05 O ATOM 756 CB SER A 51 5.354 -5.574 -14.748 1.00 52.03 C ATOM 757 OG SER A 51 6.534 -4.917 -15.173 1.00 14.41 O ATOM 0 H SER A 51 3.164 -6.650 -14.471 1.00 21.33 H new ATOM 0 HA SER A 51 4.456 -5.451 -16.705 1.00 64.12 H new ATOM 0 HB2 SER A 51 4.704 -4.863 -14.238 1.00 52.03 H new ATOM 0 HB3 SER A 51 5.609 -6.348 -14.024 1.00 52.03 H new ATOM 0 HG SER A 51 6.989 -4.527 -14.397 1.00 14.41 H new ATOM 763 N ARG A 52 5.195 -8.596 -16.075 1.00 35.03 N ATOM 764 CA ARG A 52 5.901 -9.774 -16.601 1.00 23.13 C ATOM 765 C ARG A 52 5.354 -10.173 -17.972 1.00 20.30 C ATOM 766 O ARG A 52 6.107 -10.593 -18.848 1.00 24.05 O ATOM 767 CB ARG A 52 5.779 -10.977 -15.653 1.00 1.40 C ATOM 768 CG ARG A 52 6.194 -10.709 -14.215 1.00 1.21 C ATOM 769 CD ARG A 52 7.639 -10.256 -14.100 1.00 71.44 C ATOM 770 NE ARG A 52 7.947 -9.761 -12.757 1.00 4.20 N ATOM 771 CZ ARG A 52 9.132 -9.274 -12.383 1.00 44.04 C ATOM 772 NH1 ARG A 52 10.164 -9.262 -13.226 1.00 24.22 N ATOM 773 NH2 ARG A 52 9.281 -8.805 -11.155 1.00 42.43 N ATOM 0 H ARG A 52 4.525 -8.807 -15.335 1.00 35.03 H new ATOM 0 HA ARG A 52 6.951 -9.496 -16.690 1.00 23.13 H new ATOM 0 HB2 ARG A 52 4.745 -11.321 -15.658 1.00 1.40 H new ATOM 0 HB3 ARG A 52 6.388 -11.792 -16.045 1.00 1.40 H new ATOM 0 HG2 ARG A 52 5.543 -9.946 -13.789 1.00 1.21 H new ATOM 0 HG3 ARG A 52 6.053 -11.615 -13.625 1.00 1.21 H new ATOM 0 HD2 ARG A 52 8.301 -11.087 -14.342 1.00 71.44 H new ATOM 0 HD3 ARG A 52 7.833 -9.471 -14.831 1.00 71.44 H new ATOM 0 HE ARG A 52 7.204 -9.790 -12.059 1.00 4.20 H new ATOM 0 HH11 ARG A 52 10.054 -9.628 -14.172 1.00 24.22 H new ATOM 0 HH12 ARG A 52 11.064 -8.886 -12.926 1.00 24.22 H new ATOM 0 HH21 ARG A 52 8.495 -8.818 -10.505 1.00 42.43 H new ATOM 0 HH22 ARG A 52 10.182 -8.430 -10.858 1.00 42.43 H new ATOM 787 N ASN A 53 4.037 -10.036 -18.148 1.00 61.11 N ATOM 788 CA ASN A 53 3.375 -10.384 -19.413 1.00 31.44 C ATOM 789 C ASN A 53 3.514 -9.283 -20.466 1.00 2.34 C ATOM 790 O ASN A 53 3.364 -9.542 -21.662 1.00 72.42 O ATOM 791 CB ASN A 53 1.886 -10.671 -19.185 1.00 4.11 C ATOM 792 CG ASN A 53 1.631 -12.052 -18.619 1.00 63.25 C ATOM 793 OD1 ASN A 53 1.501 -13.017 -19.363 1.00 53.21 O ATOM 794 ND2 ASN A 53 1.533 -12.155 -17.308 1.00 44.44 N ATOM 0 H ASN A 53 3.404 -9.685 -17.429 1.00 61.11 H new ATOM 0 HA ASN A 53 3.874 -11.278 -19.786 1.00 31.44 H new ATOM 0 HB2 ASN A 53 1.477 -9.924 -18.504 1.00 4.11 H new ATOM 0 HB3 ASN A 53 1.352 -10.567 -20.130 1.00 4.11 H new ATOM 0 HD21 ASN A 53 1.343 -13.061 -16.880 1.00 44.44 H new ATOM 0 HD22 ASN A 53 1.647 -11.328 -16.722 1.00 44.44 H new ATOM 801 N GLY A 54 3.790 -8.060 -20.012 1.00 70.43 N ATOM 802 CA GLY A 54 3.830 -6.906 -20.901 1.00 73.21 C ATOM 803 C GLY A 54 2.442 -6.346 -21.177 1.00 33.00 C ATOM 804 O GLY A 54 2.217 -5.699 -22.198 1.00 4.23 O ATOM 0 H GLY A 54 3.988 -7.846 -19.035 1.00 70.43 H new ATOM 0 HA2 GLY A 54 4.452 -6.129 -20.457 1.00 73.21 H new ATOM 0 HA3 GLY A 54 4.299 -7.191 -21.843 1.00 73.21 H new ATOM 808 N GLY A 55 1.518 -6.602 -20.255 1.00 21.13 N ATOM 809 CA GLY A 55 0.144 -6.183 -20.410 1.00 42.33 C ATOM 810 C GLY A 55 -0.316 -5.336 -19.250 1.00 54.12 C ATOM 811 O GLY A 55 -1.382 -5.573 -18.697 1.00 20.24 O ATOM 0 H GLY A 55 1.707 -7.103 -19.387 1.00 21.13 H new ATOM 0 HA2 GLY A 55 0.038 -5.619 -21.337 1.00 42.33 H new ATOM 0 HA3 GLY A 55 -0.496 -7.061 -20.496 1.00 42.33 H new ATOM 815 N TYR A 56 0.508 -4.358 -18.882 1.00 12.51 N ATOM 816 CA TYR A 56 0.230 -3.448 -17.768 1.00 1.25 C ATOM 817 C TYR A 56 -0.882 -2.460 -18.135 1.00 62.40 C ATOM 818 O TYR A 56 -0.648 -1.422 -18.761 1.00 74.33 O ATOM 819 CB TYR A 56 1.534 -2.727 -17.390 1.00 24.04 C ATOM 820 CG TYR A 56 1.490 -1.791 -16.189 1.00 74.33 C ATOM 821 CD1 TYR A 56 0.542 -1.898 -15.169 1.00 23.12 C ATOM 822 CD2 TYR A 56 2.452 -0.797 -16.072 1.00 25.21 C ATOM 823 CE1 TYR A 56 0.565 -1.043 -14.093 1.00 71.42 C ATOM 824 CE2 TYR A 56 2.482 0.050 -14.988 1.00 73.21 C ATOM 825 CZ TYR A 56 1.536 -0.078 -14.005 1.00 25.14 C ATOM 826 OH TYR A 56 1.577 0.736 -12.912 1.00 73.50 O ATOM 0 H TYR A 56 1.395 -4.171 -19.350 1.00 12.51 H new ATOM 0 HA TYR A 56 -0.127 -4.011 -16.906 1.00 1.25 H new ATOM 0 HB2 TYR A 56 2.295 -3.484 -17.201 1.00 24.04 H new ATOM 0 HB3 TYR A 56 1.864 -2.151 -18.255 1.00 24.04 H new ATOM 0 HD1 TYR A 56 -0.219 -2.662 -15.226 1.00 23.12 H new ATOM 0 HD2 TYR A 56 3.194 -0.686 -16.849 1.00 25.21 H new ATOM 0 HE1 TYR A 56 -0.181 -1.131 -13.317 1.00 71.42 H new ATOM 0 HE2 TYR A 56 3.246 0.810 -14.913 1.00 73.21 H new ATOM 0 HH TYR A 56 0.735 1.233 -12.842 1.00 73.50 H new ATOM 836 N LYS A 57 -2.097 -2.838 -17.770 1.00 53.41 N ATOM 837 CA LYS A 57 -3.275 -2.044 -18.048 1.00 73.33 C ATOM 838 C LYS A 57 -3.803 -1.395 -16.788 1.00 30.54 C ATOM 839 O LYS A 57 -3.878 -2.023 -15.738 1.00 45.34 O ATOM 840 CB LYS A 57 -4.385 -2.917 -18.654 1.00 12.15 C ATOM 841 CG LYS A 57 -4.022 -3.582 -19.971 1.00 12.44 C ATOM 842 CD LYS A 57 -3.806 -2.566 -21.073 1.00 71.14 C ATOM 843 CE LYS A 57 -3.484 -3.245 -22.388 1.00 31.40 C ATOM 844 NZ LYS A 57 -3.208 -2.260 -23.460 1.00 60.01 N ATOM 0 H LYS A 57 -2.290 -3.707 -17.272 1.00 53.41 H new ATOM 0 HA LYS A 57 -2.985 -1.270 -18.758 1.00 73.33 H new ATOM 0 HB2 LYS A 57 -4.654 -3.690 -17.934 1.00 12.15 H new ATOM 0 HB3 LYS A 57 -5.271 -2.301 -18.806 1.00 12.15 H new ATOM 0 HG2 LYS A 57 -3.117 -4.175 -19.841 1.00 12.44 H new ATOM 0 HG3 LYS A 57 -4.816 -4.270 -20.262 1.00 12.44 H new ATOM 0 HD2 LYS A 57 -4.700 -1.953 -21.187 1.00 71.14 H new ATOM 0 HD3 LYS A 57 -2.992 -1.895 -20.798 1.00 71.14 H new ATOM 0 HE2 LYS A 57 -2.619 -3.895 -22.260 1.00 31.40 H new ATOM 0 HE3 LYS A 57 -4.319 -3.880 -22.684 1.00 31.40 H new ATOM 0 HZ1 LYS A 57 -2.992 -2.762 -24.345 1.00 60.01 H new ATOM 0 HZ2 LYS A 57 -4.043 -1.656 -23.600 1.00 60.01 H new ATOM 0 HZ3 LYS A 57 -2.395 -1.670 -23.189 1.00 60.01 H new ATOM 858 N MET A 58 -4.136 -0.130 -16.904 1.00 41.44 N ATOM 859 CA MET A 58 -4.991 0.525 -15.937 1.00 64.21 C ATOM 860 C MET A 58 -6.379 0.569 -16.547 1.00 45.12 C ATOM 861 O MET A 58 -6.501 0.721 -17.762 1.00 73.02 O ATOM 862 CB MET A 58 -4.481 1.930 -15.606 1.00 3.30 C ATOM 863 CG MET A 58 -3.217 1.939 -14.760 1.00 71.20 C ATOM 864 SD MET A 58 -2.626 3.604 -14.398 1.00 73.51 S ATOM 865 CE MET A 58 -2.056 4.137 -16.008 1.00 1.25 C ATOM 0 H MET A 58 -3.825 0.472 -17.666 1.00 41.44 H new ATOM 0 HA MET A 58 -5.001 -0.021 -14.994 1.00 64.21 H new ATOM 0 HB2 MET A 58 -4.289 2.465 -16.536 1.00 3.30 H new ATOM 0 HB3 MET A 58 -5.264 2.476 -15.080 1.00 3.30 H new ATOM 0 HG2 MET A 58 -3.409 1.416 -13.823 1.00 71.20 H new ATOM 0 HG3 MET A 58 -2.434 1.386 -15.279 1.00 71.20 H new ATOM 0 HE1 MET A 58 -1.445 5.033 -15.899 1.00 1.25 H new ATOM 0 HE2 MET A 58 -1.461 3.345 -16.464 1.00 1.25 H new ATOM 0 HE3 MET A 58 -2.914 4.357 -16.643 1.00 1.25 H new ATOM 875 N VAL A 59 -7.427 0.413 -15.745 1.00 2.23 N ATOM 876 CA VAL A 59 -8.774 0.298 -16.314 1.00 62.44 C ATOM 877 C VAL A 59 -9.369 1.679 -16.640 1.00 21.45 C ATOM 878 O VAL A 59 -10.430 1.776 -17.257 1.00 54.51 O ATOM 879 CB VAL A 59 -9.750 -0.547 -15.434 1.00 33.51 C ATOM 880 CG1 VAL A 59 -9.113 -1.866 -15.003 1.00 4.02 C ATOM 881 CG2 VAL A 59 -10.258 0.221 -14.227 1.00 35.12 C ATOM 0 H VAL A 59 -7.379 0.364 -14.727 1.00 2.23 H new ATOM 0 HA VAL A 59 -8.656 -0.252 -17.248 1.00 62.44 H new ATOM 0 HB VAL A 59 -10.613 -0.770 -16.061 1.00 33.51 H new ATOM 0 HG11 VAL A 59 -9.819 -2.429 -14.392 1.00 4.02 H new ATOM 0 HG12 VAL A 59 -8.851 -2.449 -15.886 1.00 4.02 H new ATOM 0 HG13 VAL A 59 -8.213 -1.663 -14.423 1.00 4.02 H new ATOM 0 HG21 VAL A 59 -10.932 -0.412 -13.650 1.00 35.12 H new ATOM 0 HG22 VAL A 59 -9.415 0.517 -13.603 1.00 35.12 H new ATOM 0 HG23 VAL A 59 -10.792 1.111 -14.560 1.00 35.12 H new ATOM 891 N GLU A 60 -8.675 2.739 -16.233 1.00 22.35 N ATOM 892 CA GLU A 60 -9.038 4.086 -16.618 1.00 22.44 C ATOM 893 C GLU A 60 -7.792 4.845 -17.078 1.00 43.40 C ATOM 894 O GLU A 60 -6.825 4.985 -16.327 1.00 54.21 O ATOM 895 CB GLU A 60 -9.730 4.815 -15.453 1.00 60.44 C ATOM 896 CG GLU A 60 -10.344 6.157 -15.831 1.00 32.20 C ATOM 897 CD GLU A 60 -11.371 6.041 -16.942 1.00 55.45 C ATOM 898 OE1 GLU A 60 -12.558 5.794 -16.649 1.00 15.33 O ATOM 899 OE2 GLU A 60 -11.000 6.212 -18.120 1.00 52.51 O ATOM 0 H GLU A 60 -7.853 2.682 -15.632 1.00 22.35 H new ATOM 0 HA GLU A 60 -9.744 4.041 -17.447 1.00 22.44 H new ATOM 0 HB2 GLU A 60 -10.512 4.171 -15.050 1.00 60.44 H new ATOM 0 HB3 GLU A 60 -9.004 4.972 -14.655 1.00 60.44 H new ATOM 0 HG2 GLU A 60 -10.815 6.597 -14.952 1.00 32.20 H new ATOM 0 HG3 GLU A 60 -9.553 6.838 -16.143 1.00 32.20 H new ATOM 906 N TYR A 61 -7.814 5.285 -18.335 1.00 2.52 N ATOM 907 CA TYR A 61 -6.752 6.130 -18.884 1.00 74.13 C ATOM 908 C TYR A 61 -7.248 7.561 -19.105 1.00 13.35 C ATOM 909 O TYR A 61 -6.459 8.467 -19.390 1.00 34.52 O ATOM 910 CB TYR A 61 -6.220 5.558 -20.206 1.00 60.53 C ATOM 911 CG TYR A 61 -5.286 4.378 -20.044 1.00 34.13 C ATOM 912 CD1 TYR A 61 -3.953 4.573 -19.709 1.00 21.23 C ATOM 913 CD2 TYR A 61 -5.729 3.076 -20.233 1.00 2.54 C ATOM 914 CE1 TYR A 61 -3.090 3.507 -19.562 1.00 53.41 C ATOM 915 CE2 TYR A 61 -4.869 2.005 -20.087 1.00 71.12 C ATOM 916 CZ TYR A 61 -3.551 2.225 -19.752 1.00 34.15 C ATOM 917 OH TYR A 61 -2.696 1.159 -19.593 1.00 20.32 O ATOM 0 H TYR A 61 -8.560 5.069 -18.997 1.00 2.52 H new ATOM 0 HA TYR A 61 -5.941 6.147 -18.156 1.00 74.13 H new ATOM 0 HB2 TYR A 61 -7.066 5.255 -20.823 1.00 60.53 H new ATOM 0 HB3 TYR A 61 -5.698 6.348 -20.746 1.00 60.53 H new ATOM 0 HD1 TYR A 61 -3.585 5.577 -19.561 1.00 21.23 H new ATOM 0 HD2 TYR A 61 -6.761 2.898 -20.498 1.00 2.54 H new ATOM 0 HE1 TYR A 61 -2.057 3.678 -19.299 1.00 53.41 H new ATOM 0 HE2 TYR A 61 -5.229 0.998 -20.235 1.00 71.12 H new ATOM 0 HH TYR A 61 -2.012 1.385 -18.929 1.00 20.32 H new ATOM 927 N GLY A 62 -8.557 7.759 -18.956 1.00 72.12 N ATOM 928 CA GLY A 62 -9.158 9.061 -19.170 1.00 32.41 C ATOM 929 C GLY A 62 -9.543 9.732 -17.871 1.00 63.15 C ATOM 930 O GLY A 62 -10.674 10.188 -17.715 1.00 1.34 O ATOM 0 H GLY A 62 -9.217 7.029 -18.687 1.00 72.12 H new ATOM 0 HA2 GLY A 62 -8.459 9.697 -19.713 1.00 32.41 H new ATOM 0 HA3 GLY A 62 -10.043 8.952 -19.797 1.00 32.41 H new ATOM 934 N GLY A 63 -8.596 9.777 -16.942 1.00 31.21 N ATOM 935 CA GLY A 63 -8.823 10.407 -15.665 1.00 34.31 C ATOM 936 C GLY A 63 -7.563 10.482 -14.842 1.00 71.21 C ATOM 937 O GLY A 63 -6.513 10.906 -15.336 1.00 2.41 O ATOM 0 H GLY A 63 -7.663 9.381 -17.058 1.00 31.21 H new ATOM 0 HA2 GLY A 63 -9.215 11.412 -15.821 1.00 34.31 H new ATOM 0 HA3 GLY A 63 -9.582 9.850 -15.116 1.00 34.31 H new ATOM 941 N ALA A 64 -7.662 10.060 -13.592 1.00 11.23 N ATOM 942 CA ALA A 64 -6.521 10.062 -12.686 1.00 65.22 C ATOM 943 C ALA A 64 -5.851 8.696 -12.667 1.00 3.13 C ATOM 944 O ALA A 64 -6.527 7.670 -12.563 1.00 53.20 O ATOM 945 CB ALA A 64 -6.953 10.454 -11.282 1.00 12.11 C ATOM 0 H ALA A 64 -8.526 9.709 -13.178 1.00 11.23 H new ATOM 0 HA ALA A 64 -5.802 10.798 -13.046 1.00 65.22 H new ATOM 0 HB1 ALA A 64 -6.087 10.450 -10.620 1.00 12.11 H new ATOM 0 HB2 ALA A 64 -7.390 11.452 -11.301 1.00 12.11 H new ATOM 0 HB3 ALA A 64 -7.692 9.741 -10.917 1.00 12.11 H new ATOM 951 N GLN A 65 -4.523 8.691 -12.777 1.00 12.45 N ATOM 952 CA GLN A 65 -3.740 7.459 -12.666 1.00 24.45 C ATOM 953 C GLN A 65 -3.304 7.249 -11.216 1.00 44.35 C ATOM 954 O GLN A 65 -2.139 7.427 -10.851 1.00 54.44 O ATOM 955 CB GLN A 65 -2.526 7.432 -13.637 1.00 73.45 C ATOM 956 CG GLN A 65 -2.262 8.733 -14.408 1.00 40.11 C ATOM 957 CD GLN A 65 -1.189 9.632 -13.797 1.00 32.00 C ATOM 958 OE1 GLN A 65 -0.528 10.379 -14.512 1.00 73.34 O ATOM 959 NE2 GLN A 65 -0.986 9.565 -12.491 1.00 3.02 N ATOM 0 H GLN A 65 -3.965 9.528 -12.943 1.00 12.45 H new ATOM 0 HA GLN A 65 -4.381 6.630 -12.966 1.00 24.45 H new ATOM 0 HB2 GLN A 65 -1.632 7.182 -13.065 1.00 73.45 H new ATOM 0 HB3 GLN A 65 -2.678 6.629 -14.358 1.00 73.45 H new ATOM 0 HG2 GLN A 65 -1.969 8.482 -15.427 1.00 40.11 H new ATOM 0 HG3 GLN A 65 -3.193 9.295 -14.474 1.00 40.11 H new ATOM 0 HE21 GLN A 65 -1.549 8.936 -11.919 1.00 3.02 H new ATOM 0 HE22 GLN A 65 -0.266 10.143 -12.056 1.00 3.02 H new ATOM 968 N ALA A 66 -4.283 6.916 -10.387 1.00 74.24 N ATOM 969 CA ALA A 66 -4.068 6.710 -8.970 1.00 61.03 C ATOM 970 C ALA A 66 -3.679 5.268 -8.700 1.00 25.24 C ATOM 971 O ALA A 66 -4.406 4.345 -9.051 1.00 34.32 O ATOM 972 CB ALA A 66 -5.315 7.090 -8.197 1.00 33.14 C ATOM 0 H ALA A 66 -5.250 6.782 -10.683 1.00 74.24 H new ATOM 0 HA ALA A 66 -3.249 7.348 -8.637 1.00 61.03 H new ATOM 0 HB1 ALA A 66 -5.145 6.932 -7.132 1.00 33.14 H new ATOM 0 HB2 ALA A 66 -5.548 8.140 -8.376 1.00 33.14 H new ATOM 0 HB3 ALA A 66 -6.150 6.472 -8.527 1.00 33.14 H new ATOM 978 N GLU A 67 -2.494 5.097 -8.125 1.00 64.44 N ATOM 979 CA GLU A 67 -1.936 3.783 -7.810 1.00 33.22 C ATOM 980 C GLU A 67 -0.683 3.945 -6.960 1.00 35.55 C ATOM 981 O GLU A 67 -0.142 5.053 -6.838 1.00 42.21 O ATOM 982 CB GLU A 67 -1.576 2.992 -9.087 1.00 3.35 C ATOM 983 CG GLU A 67 -0.790 3.797 -10.110 1.00 4.52 C ATOM 984 CD GLU A 67 -0.124 2.921 -11.133 1.00 30.33 C ATOM 985 OE1 GLU A 67 -0.827 2.267 -11.931 1.00 14.22 O ATOM 986 OE2 GLU A 67 1.117 2.853 -11.119 1.00 72.05 O ATOM 0 H GLU A 67 -1.886 5.873 -7.861 1.00 64.44 H new ATOM 0 HA GLU A 67 -2.697 3.226 -7.264 1.00 33.22 H new ATOM 0 HB2 GLU A 67 -0.995 2.113 -8.807 1.00 3.35 H new ATOM 0 HB3 GLU A 67 -2.495 2.632 -9.551 1.00 3.35 H new ATOM 0 HG2 GLU A 67 -1.460 4.495 -10.613 1.00 4.52 H new ATOM 0 HG3 GLU A 67 -0.035 4.393 -9.598 1.00 4.52 H new ATOM 993 N TRP A 68 -0.228 2.847 -6.375 1.00 71.31 N ATOM 994 CA TRP A 68 1.034 2.835 -5.657 1.00 10.25 C ATOM 995 C TRP A 68 2.179 2.511 -6.601 1.00 14.23 C ATOM 996 O TRP A 68 2.297 1.386 -7.095 1.00 22.42 O ATOM 997 CB TRP A 68 0.991 1.851 -4.480 1.00 14.44 C ATOM 998 CG TRP A 68 -0.099 2.165 -3.502 1.00 41.03 C ATOM 999 CD1 TRP A 68 -1.068 1.316 -3.064 1.00 65.30 C ATOM 1000 CD2 TRP A 68 -0.357 3.430 -2.870 1.00 44.55 C ATOM 1001 NE1 TRP A 68 -1.913 1.969 -2.204 1.00 11.23 N ATOM 1002 CE2 TRP A 68 -1.496 3.268 -2.070 1.00 44.03 C ATOM 1003 CE3 TRP A 68 0.272 4.680 -2.902 1.00 32.42 C ATOM 1004 CZ2 TRP A 68 -2.026 4.311 -1.321 1.00 70.12 C ATOM 1005 CZ3 TRP A 68 -0.257 5.708 -2.156 1.00 11.42 C ATOM 1006 CH2 TRP A 68 -1.393 5.518 -1.374 1.00 20.04 C ATOM 0 H TRP A 68 -0.717 1.952 -6.385 1.00 71.31 H new ATOM 0 HA TRP A 68 1.203 3.830 -5.246 1.00 10.25 H new ATOM 0 HB2 TRP A 68 0.850 0.840 -4.862 1.00 14.44 H new ATOM 0 HB3 TRP A 68 1.951 1.866 -3.964 1.00 14.44 H new ATOM 0 HD1 TRP A 68 -1.158 0.279 -3.352 1.00 65.30 H new ATOM 0 HE1 TRP A 68 -2.721 1.555 -1.739 1.00 11.23 H new ATOM 0 HE3 TRP A 68 1.157 4.835 -3.502 1.00 32.42 H new ATOM 0 HZ2 TRP A 68 -2.910 4.171 -0.717 1.00 70.12 H new ATOM 0 HZ3 TRP A 68 0.217 6.678 -2.177 1.00 11.42 H new ATOM 0 HH2 TRP A 68 -1.781 6.344 -0.797 1.00 20.04 H new ATOM 1017 N HIS A 69 2.991 3.529 -6.880 1.00 31.41 N ATOM 1018 CA HIS A 69 4.143 3.384 -7.753 1.00 53.53 C ATOM 1019 C HIS A 69 5.179 4.469 -7.437 1.00 40.00 C ATOM 1020 O HIS A 69 6.167 4.214 -6.753 1.00 74.31 O ATOM 1021 CB HIS A 69 3.703 3.476 -9.227 1.00 73.41 C ATOM 1022 CG HIS A 69 4.549 2.693 -10.191 1.00 22.25 C ATOM 1023 ND1 HIS A 69 4.012 2.010 -11.258 1.00 53.44 N ATOM 1024 CD2 HIS A 69 5.886 2.495 -10.261 1.00 25.50 C ATOM 1025 CE1 HIS A 69 4.977 1.424 -11.939 1.00 60.04 C ATOM 1026 NE2 HIS A 69 6.127 1.703 -11.355 1.00 43.34 N ATOM 0 H HIS A 69 2.866 4.470 -6.507 1.00 31.41 H new ATOM 0 HA HIS A 69 4.597 2.407 -7.585 1.00 53.53 H new ATOM 0 HB2 HIS A 69 2.673 3.129 -9.306 1.00 73.41 H new ATOM 0 HB3 HIS A 69 3.710 4.524 -9.528 1.00 73.41 H new ATOM 0 HD1 HIS A 69 3.019 1.964 -11.487 1.00 53.44 H new ATOM 0 HD2 HIS A 69 6.627 2.888 -9.581 1.00 25.50 H new ATOM 0 HE1 HIS A 69 4.848 0.819 -12.824 1.00 60.04 H new ATOM 1035 N GLU A 70 4.902 5.685 -7.900 1.00 73.24 N ATOM 1036 CA GLU A 70 5.853 6.797 -7.838 1.00 25.53 C ATOM 1037 C GLU A 70 5.849 7.439 -6.463 1.00 40.43 C ATOM 1038 O GLU A 70 6.893 7.578 -5.825 1.00 43.05 O ATOM 1039 CB GLU A 70 5.475 7.851 -8.870 1.00 43.14 C ATOM 1040 CG GLU A 70 5.314 7.318 -10.281 1.00 0.35 C ATOM 1041 CD GLU A 70 4.766 8.367 -11.209 1.00 40.24 C ATOM 1042 OE1 GLU A 70 3.536 8.545 -11.239 1.00 44.33 O ATOM 1043 OE2 GLU A 70 5.566 9.031 -11.895 1.00 32.12 O ATOM 0 H GLU A 70 4.010 5.930 -8.330 1.00 73.24 H new ATOM 0 HA GLU A 70 6.848 6.403 -8.044 1.00 25.53 H new ATOM 0 HB2 GLU A 70 4.541 8.323 -8.564 1.00 43.14 H new ATOM 0 HB3 GLU A 70 6.239 8.629 -8.873 1.00 43.14 H new ATOM 0 HG2 GLU A 70 6.278 6.971 -10.652 1.00 0.35 H new ATOM 0 HG3 GLU A 70 4.647 6.456 -10.271 1.00 0.35 H new ATOM 1050 N GLN A 71 4.649 7.801 -6.005 1.00 20.24 N ATOM 1051 CA GLN A 71 4.472 8.485 -4.726 1.00 20.31 C ATOM 1052 C GLN A 71 4.653 7.507 -3.572 1.00 23.42 C ATOM 1053 O GLN A 71 5.037 7.903 -2.480 1.00 2.35 O ATOM 1054 CB GLN A 71 3.079 9.131 -4.646 1.00 42.21 C ATOM 1055 CG GLN A 71 2.693 9.965 -5.869 1.00 35.12 C ATOM 1056 CD GLN A 71 3.442 11.286 -5.998 1.00 54.42 C ATOM 1057 OE1 GLN A 71 4.571 11.441 -5.541 1.00 61.22 O ATOM 1058 NE2 GLN A 71 2.815 12.245 -6.659 1.00 42.15 N ATOM 0 H GLN A 71 3.778 7.629 -6.508 1.00 20.24 H new ATOM 0 HA GLN A 71 5.227 9.267 -4.651 1.00 20.31 H new ATOM 0 HB2 GLN A 71 2.336 8.345 -4.509 1.00 42.21 H new ATOM 0 HB3 GLN A 71 3.038 9.767 -3.761 1.00 42.21 H new ATOM 0 HG2 GLN A 71 2.870 9.373 -6.767 1.00 35.12 H new ATOM 0 HG3 GLN A 71 1.623 10.171 -5.829 1.00 35.12 H new ATOM 0 HE21 GLN A 71 1.877 12.083 -7.026 1.00 42.15 H new ATOM 0 HE22 GLN A 71 3.269 13.147 -6.802 1.00 42.15 H new ATOM 1067 N ALA A 72 4.421 6.222 -3.862 1.00 20.20 N ATOM 1068 CA ALA A 72 4.517 5.148 -2.880 1.00 53.22 C ATOM 1069 C ALA A 72 5.955 4.880 -2.439 1.00 51.02 C ATOM 1070 O ALA A 72 6.163 4.365 -1.353 1.00 1.24 O ATOM 1071 CB ALA A 72 3.897 3.887 -3.432 1.00 1.03 C ATOM 0 H ALA A 72 4.159 5.901 -4.794 1.00 20.20 H new ATOM 0 HA ALA A 72 3.969 5.471 -1.995 1.00 53.22 H new ATOM 0 HB1 ALA A 72 3.973 3.090 -2.692 1.00 1.03 H new ATOM 0 HB2 ALA A 72 2.847 4.069 -3.663 1.00 1.03 H new ATOM 0 HB3 ALA A 72 4.422 3.591 -4.340 1.00 1.03 H new ATOM 1077 N GLU A 73 6.935 5.216 -3.295 1.00 50.44 N ATOM 1078 CA GLU A 73 8.357 5.141 -2.931 1.00 61.45 C ATOM 1079 C GLU A 73 8.695 6.175 -1.839 1.00 61.54 C ATOM 1080 O GLU A 73 9.533 5.932 -0.972 1.00 33.44 O ATOM 1081 CB GLU A 73 9.231 5.351 -4.187 1.00 71.15 C ATOM 1082 CG GLU A 73 10.735 5.193 -3.964 1.00 4.25 C ATOM 1083 CD GLU A 73 11.489 6.515 -3.900 1.00 2.34 C ATOM 1084 OE1 GLU A 73 11.912 7.010 -4.963 1.00 60.13 O ATOM 1085 OE2 GLU A 73 11.685 7.051 -2.792 1.00 71.02 O ATOM 0 H GLU A 73 6.766 5.543 -4.246 1.00 50.44 H new ATOM 0 HA GLU A 73 8.567 4.152 -2.525 1.00 61.45 H new ATOM 0 HB2 GLU A 73 8.916 4.642 -4.952 1.00 71.15 H new ATOM 0 HB3 GLU A 73 9.041 6.350 -4.580 1.00 71.15 H new ATOM 0 HG2 GLU A 73 10.900 4.646 -3.036 1.00 4.25 H new ATOM 0 HG3 GLU A 73 11.151 4.587 -4.769 1.00 4.25 H new ATOM 1092 N LYS A 74 8.036 7.323 -1.885 1.00 41.52 N ATOM 1093 CA LYS A 74 8.265 8.372 -0.897 1.00 75.34 C ATOM 1094 C LYS A 74 7.587 8.011 0.428 1.00 44.22 C ATOM 1095 O LYS A 74 8.139 8.243 1.506 1.00 42.10 O ATOM 1096 CB LYS A 74 7.774 9.746 -1.405 1.00 20.41 C ATOM 1097 CG LYS A 74 8.208 10.124 -2.837 1.00 32.23 C ATOM 1098 CD LYS A 74 9.686 9.843 -3.132 1.00 72.33 C ATOM 1099 CE LYS A 74 10.635 10.575 -2.195 1.00 43.45 C ATOM 1100 NZ LYS A 74 12.011 10.022 -2.279 1.00 31.21 N ATOM 0 H LYS A 74 7.339 7.554 -2.593 1.00 41.52 H new ATOM 0 HA LYS A 74 9.340 8.449 -0.732 1.00 75.34 H new ATOM 0 HB2 LYS A 74 6.685 9.762 -1.359 1.00 20.41 H new ATOM 0 HB3 LYS A 74 8.133 10.515 -0.721 1.00 20.41 H new ATOM 0 HG2 LYS A 74 7.594 9.573 -3.550 1.00 32.23 H new ATOM 0 HG3 LYS A 74 8.010 11.184 -2.998 1.00 32.23 H new ATOM 0 HD2 LYS A 74 9.867 8.771 -3.057 1.00 72.33 H new ATOM 0 HD3 LYS A 74 9.906 10.132 -4.160 1.00 72.33 H new ATOM 0 HE2 LYS A 74 10.651 11.636 -2.446 1.00 43.45 H new ATOM 0 HE3 LYS A 74 10.271 10.496 -1.171 1.00 43.45 H new ATOM 0 HZ1 LYS A 74 12.511 10.196 -1.384 1.00 31.21 H new ATOM 0 HZ2 LYS A 74 11.964 8.998 -2.455 1.00 31.21 H new ATOM 0 HZ3 LYS A 74 12.524 10.484 -3.057 1.00 31.21 H new ATOM 1114 N VAL A 75 6.403 7.407 0.317 1.00 4.42 N ATOM 1115 CA VAL A 75 5.571 7.031 1.466 1.00 53.21 C ATOM 1116 C VAL A 75 6.143 5.817 2.229 1.00 50.13 C ATOM 1117 O VAL A 75 6.043 5.746 3.459 1.00 72.43 O ATOM 1118 CB VAL A 75 4.113 6.751 1.002 1.00 31.43 C ATOM 1119 CG1 VAL A 75 3.214 6.384 2.158 1.00 43.05 C ATOM 1120 CG2 VAL A 75 3.533 7.955 0.292 1.00 53.34 C ATOM 0 H VAL A 75 5.988 7.162 -0.582 1.00 4.42 H new ATOM 0 HA VAL A 75 5.571 7.871 2.160 1.00 53.21 H new ATOM 0 HB VAL A 75 4.161 5.906 0.316 1.00 31.43 H new ATOM 0 HG11 VAL A 75 2.205 6.197 1.789 1.00 43.05 H new ATOM 0 HG12 VAL A 75 3.595 5.486 2.644 1.00 43.05 H new ATOM 0 HG13 VAL A 75 3.191 7.204 2.876 1.00 43.05 H new ATOM 0 HG21 VAL A 75 2.513 7.735 -0.023 1.00 53.34 H new ATOM 0 HG22 VAL A 75 3.527 8.809 0.969 1.00 53.34 H new ATOM 0 HG23 VAL A 75 4.140 8.189 -0.582 1.00 53.34 H new ATOM 1130 N GLU A 76 6.747 4.871 1.494 1.00 3.13 N ATOM 1131 CA GLU A 76 7.317 3.658 2.093 1.00 34.13 C ATOM 1132 C GLU A 76 8.494 3.985 3.026 1.00 10.41 C ATOM 1133 O GLU A 76 8.681 3.309 4.030 1.00 55.02 O ATOM 1134 CB GLU A 76 7.749 2.639 1.023 1.00 31.24 C ATOM 1135 CG GLU A 76 8.895 3.095 0.149 1.00 64.05 C ATOM 1136 CD GLU A 76 9.540 1.979 -0.621 1.00 74.21 C ATOM 1137 OE1 GLU A 76 10.383 1.269 -0.044 1.00 13.42 O ATOM 1138 OE2 GLU A 76 9.243 1.820 -1.816 1.00 11.22 O ATOM 0 H GLU A 76 6.853 4.925 0.481 1.00 3.13 H new ATOM 0 HA GLU A 76 6.526 3.204 2.690 1.00 34.13 H new ATOM 0 HB2 GLU A 76 8.033 1.710 1.518 1.00 31.24 H new ATOM 0 HB3 GLU A 76 6.892 2.413 0.388 1.00 31.24 H new ATOM 0 HG2 GLU A 76 8.531 3.846 -0.552 1.00 64.05 H new ATOM 0 HG3 GLU A 76 9.647 3.578 0.772 1.00 64.05 H new ATOM 1145 N ALA A 77 9.261 5.033 2.680 1.00 40.25 N ATOM 1146 CA ALA A 77 10.362 5.527 3.506 1.00 1.31 C ATOM 1147 C ALA A 77 9.878 6.011 4.874 1.00 4.13 C ATOM 1148 O ALA A 77 10.535 5.775 5.887 1.00 33.42 O ATOM 1149 CB ALA A 77 11.072 6.650 2.778 1.00 53.32 C ATOM 0 H ALA A 77 9.130 5.559 1.816 1.00 40.25 H new ATOM 0 HA ALA A 77 11.051 4.701 3.679 1.00 1.31 H new ATOM 0 HB1 ALA A 77 11.893 7.020 3.392 1.00 53.32 H new ATOM 0 HB2 ALA A 77 11.465 6.279 1.832 1.00 53.32 H new ATOM 0 HB3 ALA A 77 10.369 7.461 2.586 1.00 53.32 H new ATOM 1155 N TYR A 78 8.707 6.651 4.876 1.00 71.00 N ATOM 1156 CA TYR A 78 8.066 7.139 6.090 1.00 25.20 C ATOM 1157 C TYR A 78 7.547 5.978 6.961 1.00 30.45 C ATOM 1158 O TYR A 78 7.598 6.056 8.179 1.00 12.35 O ATOM 1159 CB TYR A 78 6.923 8.092 5.704 1.00 42.32 C ATOM 1160 CG TYR A 78 6.170 8.702 6.873 1.00 32.53 C ATOM 1161 CD1 TYR A 78 6.606 9.866 7.486 1.00 43.14 C ATOM 1162 CD2 TYR A 78 5.016 8.107 7.355 1.00 2.34 C ATOM 1163 CE1 TYR A 78 5.910 10.415 8.546 1.00 13.20 C ATOM 1164 CE2 TYR A 78 4.322 8.645 8.408 1.00 2.34 C ATOM 1165 CZ TYR A 78 4.768 9.796 9.002 1.00 74.23 C ATOM 1166 OH TYR A 78 4.072 10.321 10.063 1.00 12.42 O ATOM 0 H TYR A 78 8.176 6.845 4.027 1.00 71.00 H new ATOM 0 HA TYR A 78 8.802 7.677 6.687 1.00 25.20 H new ATOM 0 HB2 TYR A 78 7.333 8.898 5.096 1.00 42.32 H new ATOM 0 HB3 TYR A 78 6.214 7.549 5.079 1.00 42.32 H new ATOM 0 HD1 TYR A 78 7.503 10.351 7.130 1.00 43.14 H new ATOM 0 HD2 TYR A 78 4.655 7.200 6.892 1.00 2.34 H new ATOM 0 HE1 TYR A 78 6.260 11.324 9.014 1.00 13.20 H new ATOM 0 HE2 TYR A 78 3.426 8.162 8.768 1.00 2.34 H new ATOM 0 HH TYR A 78 3.483 9.634 10.440 1.00 12.42 H new ATOM 1176 N LEU A 79 7.059 4.908 6.330 1.00 43.25 N ATOM 1177 CA LEU A 79 6.535 3.745 7.056 1.00 63.11 C ATOM 1178 C LEU A 79 7.674 2.983 7.751 1.00 71.05 C ATOM 1179 O LEU A 79 7.535 2.567 8.906 1.00 51.03 O ATOM 1180 CB LEU A 79 5.744 2.842 6.075 1.00 11.21 C ATOM 1181 CG LEU A 79 4.837 1.722 6.658 1.00 31.34 C ATOM 1182 CD1 LEU A 79 5.609 0.432 6.904 1.00 2.03 C ATOM 1183 CD2 LEU A 79 4.135 2.174 7.936 1.00 62.42 C ATOM 0 H LEU A 79 7.015 4.821 5.315 1.00 43.25 H new ATOM 0 HA LEU A 79 5.853 4.077 7.839 1.00 63.11 H new ATOM 0 HB2 LEU A 79 5.117 3.490 5.462 1.00 11.21 H new ATOM 0 HB3 LEU A 79 6.464 2.370 5.407 1.00 11.21 H new ATOM 0 HG LEU A 79 4.076 1.517 5.905 1.00 31.34 H new ATOM 0 HD11 LEU A 79 4.936 -0.323 7.311 1.00 2.03 H new ATOM 0 HD12 LEU A 79 6.029 0.074 5.964 1.00 2.03 H new ATOM 0 HD13 LEU A 79 6.415 0.620 7.613 1.00 2.03 H new ATOM 0 HD21 LEU A 79 3.510 1.365 8.314 1.00 62.42 H new ATOM 0 HD22 LEU A 79 4.880 2.438 8.687 1.00 62.42 H new ATOM 0 HD23 LEU A 79 3.513 3.043 7.721 1.00 62.42 H new ATOM 1195 N VAL A 80 8.799 2.830 7.051 1.00 53.10 N ATOM 1196 CA VAL A 80 9.977 2.130 7.584 1.00 53.10 C ATOM 1197 C VAL A 80 10.668 2.950 8.698 1.00 63.04 C ATOM 1198 O VAL A 80 11.216 2.379 9.638 1.00 32.22 O ATOM 1199 CB VAL A 80 10.978 1.765 6.438 1.00 21.54 C ATOM 1200 CG1 VAL A 80 12.222 1.047 6.948 1.00 62.33 C ATOM 1201 CG2 VAL A 80 10.295 0.891 5.401 1.00 53.04 C ATOM 0 H VAL A 80 8.923 3.185 6.103 1.00 53.10 H new ATOM 0 HA VAL A 80 9.633 1.199 8.035 1.00 53.10 H new ATOM 0 HB VAL A 80 11.295 2.708 5.993 1.00 21.54 H new ATOM 0 HG11 VAL A 80 12.880 0.819 6.109 1.00 62.33 H new ATOM 0 HG12 VAL A 80 12.747 1.687 7.657 1.00 62.33 H new ATOM 0 HG13 VAL A 80 11.930 0.121 7.443 1.00 62.33 H new ATOM 0 HG21 VAL A 80 11.003 0.645 4.610 1.00 53.04 H new ATOM 0 HG22 VAL A 80 9.944 -0.027 5.873 1.00 53.04 H new ATOM 0 HG23 VAL A 80 9.447 1.427 4.975 1.00 53.04 H new ATOM 1211 N GLU A 81 10.627 4.281 8.609 1.00 45.55 N ATOM 1212 CA GLU A 81 11.207 5.116 9.662 1.00 34.23 C ATOM 1213 C GLU A 81 10.294 5.188 10.905 1.00 71.03 C ATOM 1214 O GLU A 81 10.783 5.318 12.021 1.00 10.51 O ATOM 1215 CB GLU A 81 11.548 6.526 9.142 1.00 60.53 C ATOM 1216 CG GLU A 81 10.358 7.467 9.001 1.00 43.41 C ATOM 1217 CD GLU A 81 10.738 8.831 8.499 1.00 5.03 C ATOM 1218 OE1 GLU A 81 11.165 9.667 9.320 1.00 24.04 O ATOM 1219 OE2 GLU A 81 10.605 9.083 7.290 1.00 4.34 O ATOM 0 H GLU A 81 10.207 4.796 7.835 1.00 45.55 H new ATOM 0 HA GLU A 81 12.139 4.640 9.968 1.00 34.23 H new ATOM 0 HB2 GLU A 81 12.273 6.980 9.818 1.00 60.53 H new ATOM 0 HB3 GLU A 81 12.034 6.431 8.171 1.00 60.53 H new ATOM 0 HG2 GLU A 81 9.632 7.025 8.318 1.00 43.41 H new ATOM 0 HG3 GLU A 81 9.866 7.567 9.968 1.00 43.41 H new ATOM 1226 N LYS A 82 8.972 5.088 10.702 1.00 3.04 N ATOM 1227 CA LYS A 82 7.997 5.300 11.777 1.00 22.54 C ATOM 1228 C LYS A 82 7.718 4.041 12.581 1.00 61.32 C ATOM 1229 O LYS A 82 7.434 4.131 13.778 1.00 25.23 O ATOM 1230 CB LYS A 82 6.683 5.815 11.180 1.00 74.35 C ATOM 1231 CG LYS A 82 6.331 7.238 11.577 1.00 14.14 C ATOM 1232 CD LYS A 82 7.484 8.206 11.349 1.00 45.13 C ATOM 1233 CE LYS A 82 7.173 9.594 11.888 1.00 62.10 C ATOM 1234 NZ LYS A 82 6.909 9.582 13.349 1.00 24.43 N ATOM 0 H LYS A 82 8.555 4.861 9.799 1.00 3.04 H new ATOM 0 HA LYS A 82 8.429 6.032 12.459 1.00 22.54 H new ATOM 0 HB2 LYS A 82 6.744 5.758 10.093 1.00 74.35 H new ATOM 0 HB3 LYS A 82 5.874 5.153 11.488 1.00 74.35 H new ATOM 0 HG2 LYS A 82 5.464 7.568 11.004 1.00 14.14 H new ATOM 0 HG3 LYS A 82 6.045 7.259 12.629 1.00 14.14 H new ATOM 0 HD2 LYS A 82 8.382 7.821 11.832 1.00 45.13 H new ATOM 0 HD3 LYS A 82 7.699 8.270 10.282 1.00 45.13 H new ATOM 0 HE2 LYS A 82 8.010 10.260 11.677 1.00 62.10 H new ATOM 0 HE3 LYS A 82 6.305 9.998 11.367 1.00 62.10 H new ATOM 0 HZ1 LYS A 82 7.086 10.529 13.742 1.00 24.43 H new ATOM 0 HZ2 LYS A 82 5.918 9.316 13.521 1.00 24.43 H new ATOM 0 HZ3 LYS A 82 7.537 8.893 13.810 1.00 24.43 H new ATOM 1248 N GLN A 83 7.782 2.880 11.892 1.00 32.22 N ATOM 1249 CA GLN A 83 7.535 1.537 12.474 1.00 64.41 C ATOM 1250 C GLN A 83 6.082 1.344 12.917 1.00 3.43 C ATOM 1251 O GLN A 83 5.758 0.362 13.582 1.00 24.24 O ATOM 1252 CB GLN A 83 8.484 1.243 13.649 1.00 61.33 C ATOM 1253 CG GLN A 83 9.943 1.148 13.255 1.00 55.45 C ATOM 1254 CD GLN A 83 10.204 -0.030 12.356 1.00 24.24 C ATOM 1255 OE1 GLN A 83 10.487 -1.111 12.824 1.00 13.10 O ATOM 1256 NE2 GLN A 83 10.107 0.173 11.061 1.00 62.33 N ATOM 0 H GLN A 83 8.011 2.847 10.898 1.00 32.22 H new ATOM 0 HA GLN A 83 7.736 0.825 11.673 1.00 64.41 H new ATOM 0 HB2 GLN A 83 8.371 2.027 14.398 1.00 61.33 H new ATOM 0 HB3 GLN A 83 8.184 0.307 14.119 1.00 61.33 H new ATOM 0 HG2 GLN A 83 10.243 2.065 12.748 1.00 55.45 H new ATOM 0 HG3 GLN A 83 10.557 1.064 14.152 1.00 55.45 H new ATOM 0 HE21 GLN A 83 9.866 1.099 10.706 1.00 62.33 H new ATOM 0 HE22 GLN A 83 10.272 -0.595 10.411 1.00 62.33 H new ATOM 1265 N ASP A 84 5.209 2.254 12.504 1.00 3.44 N ATOM 1266 CA ASP A 84 3.834 2.256 12.943 1.00 3.04 C ATOM 1267 C ASP A 84 2.926 2.566 11.758 1.00 74.33 C ATOM 1268 O ASP A 84 3.031 3.640 11.156 1.00 54.04 O ATOM 1269 CB ASP A 84 3.643 3.285 14.066 1.00 44.15 C ATOM 1270 CG ASP A 84 2.339 3.104 14.814 1.00 42.10 C ATOM 1271 OD1 ASP A 84 2.269 2.218 15.682 1.00 51.15 O ATOM 1272 OD2 ASP A 84 1.388 3.848 14.550 1.00 70.31 O ATOM 0 H ASP A 84 5.441 3.007 11.856 1.00 3.44 H new ATOM 0 HA ASP A 84 3.572 1.274 13.337 1.00 3.04 H new ATOM 0 HB2 ASP A 84 4.473 3.207 14.768 1.00 44.15 H new ATOM 0 HB3 ASP A 84 3.677 4.289 13.642 1.00 44.15 H new ATOM 1277 N PRO A 85 2.034 1.616 11.390 1.00 0.45 N ATOM 1278 CA PRO A 85 1.135 1.754 10.227 1.00 13.02 C ATOM 1279 C PRO A 85 -0.061 2.700 10.445 1.00 44.55 C ATOM 1280 O PRO A 85 -0.924 2.810 9.579 1.00 44.42 O ATOM 1281 CB PRO A 85 0.640 0.325 10.013 1.00 13.33 C ATOM 1282 CG PRO A 85 0.674 -0.298 11.358 1.00 70.20 C ATOM 1283 CD PRO A 85 1.860 0.300 12.055 1.00 23.14 C ATOM 0 HA PRO A 85 1.661 2.198 9.382 1.00 13.02 H new ATOM 0 HB2 PRO A 85 -0.368 0.314 9.598 1.00 13.33 H new ATOM 0 HB3 PRO A 85 1.278 -0.213 9.312 1.00 13.33 H new ATOM 0 HG2 PRO A 85 -0.246 -0.095 11.907 1.00 70.20 H new ATOM 0 HG3 PRO A 85 0.769 -1.381 11.285 1.00 70.20 H new ATOM 0 HD2 PRO A 85 1.681 0.413 13.124 1.00 23.14 H new ATOM 0 HD3 PRO A 85 2.746 -0.325 11.944 1.00 23.14 H new ATOM 1291 N THR A 86 -0.120 3.375 11.588 1.00 2.24 N ATOM 1292 CA THR A 86 -1.192 4.324 11.854 1.00 0.44 C ATOM 1293 C THR A 86 -0.633 5.647 12.419 1.00 72.42 C ATOM 1294 O THR A 86 -1.391 6.535 12.825 1.00 14.41 O ATOM 1295 CB THR A 86 -2.295 3.695 12.773 1.00 51.25 C ATOM 1296 OG1 THR A 86 -3.411 4.582 12.914 1.00 41.11 O ATOM 1297 CG2 THR A 86 -1.775 3.327 14.150 1.00 2.15 C ATOM 0 H THR A 86 0.560 3.282 12.342 1.00 2.24 H new ATOM 0 HA THR A 86 -1.677 4.565 10.908 1.00 0.44 H new ATOM 0 HB THR A 86 -2.611 2.777 12.278 1.00 51.25 H new ATOM 0 HG1 THR A 86 -3.096 5.510 12.898 1.00 41.11 H new ATOM 0 HG21 THR A 86 -2.583 2.896 14.741 1.00 2.15 H new ATOM 0 HG22 THR A 86 -0.969 2.599 14.052 1.00 2.15 H new ATOM 0 HG23 THR A 86 -1.398 4.221 14.647 1.00 2.15 H new ATOM 1305 N ASP A 87 0.696 5.799 12.395 1.00 31.11 N ATOM 1306 CA ASP A 87 1.329 7.047 12.806 1.00 10.30 C ATOM 1307 C ASP A 87 1.445 7.961 11.600 1.00 13.31 C ATOM 1308 O ASP A 87 2.451 7.954 10.888 1.00 31.22 O ATOM 1309 CB ASP A 87 2.709 6.802 13.434 1.00 43.42 C ATOM 1310 CG ASP A 87 3.244 8.024 14.154 1.00 44.54 C ATOM 1311 OD1 ASP A 87 2.876 8.230 15.326 1.00 71.22 O ATOM 1312 OD2 ASP A 87 4.028 8.788 13.557 1.00 44.13 O ATOM 0 H ASP A 87 1.348 5.074 12.096 1.00 31.11 H new ATOM 0 HA ASP A 87 0.710 7.519 13.569 1.00 10.30 H new ATOM 0 HB2 ASP A 87 2.643 5.971 14.136 1.00 43.42 H new ATOM 0 HB3 ASP A 87 3.412 6.506 12.655 1.00 43.42 H new ATOM 1317 N ILE A 88 0.374 8.701 11.349 1.00 20.24 N ATOM 1318 CA ILE A 88 0.249 9.515 10.154 1.00 55.11 C ATOM 1319 C ILE A 88 -0.935 10.481 10.308 1.00 50.22 C ATOM 1320 O ILE A 88 -2.000 10.114 10.816 1.00 15.13 O ATOM 1321 CB ILE A 88 0.102 8.618 8.871 1.00 54.31 C ATOM 1322 CG1 ILE A 88 0.024 9.456 7.589 1.00 55.35 C ATOM 1323 CG2 ILE A 88 -1.097 7.681 8.966 1.00 31.13 C ATOM 1324 CD1 ILE A 88 1.298 10.190 7.250 1.00 52.43 C ATOM 0 H ILE A 88 -0.433 8.752 11.971 1.00 20.24 H new ATOM 0 HA ILE A 88 1.159 10.102 10.028 1.00 55.11 H new ATOM 0 HB ILE A 88 1.004 8.009 8.820 1.00 54.31 H new ATOM 0 HG12 ILE A 88 -0.238 8.803 6.757 1.00 55.35 H new ATOM 0 HG13 ILE A 88 -0.783 10.181 7.691 1.00 55.35 H new ATOM 0 HG21 ILE A 88 -1.162 7.080 8.059 1.00 31.13 H new ATOM 0 HG22 ILE A 88 -0.979 7.025 9.829 1.00 31.13 H new ATOM 0 HG23 ILE A 88 -2.009 8.267 9.078 1.00 31.13 H new ATOM 0 HD11 ILE A 88 1.157 10.758 6.330 1.00 52.43 H new ATOM 0 HD12 ILE A 88 1.552 10.872 8.062 1.00 52.43 H new ATOM 0 HD13 ILE A 88 2.106 9.472 7.113 1.00 52.43 H new ATOM 1336 N LYS A 89 -0.717 11.721 9.908 1.00 42.43 N ATOM 1337 CA LYS A 89 -1.732 12.748 9.978 1.00 43.41 C ATOM 1338 C LYS A 89 -2.063 13.242 8.574 1.00 2.20 C ATOM 1339 O LYS A 89 -1.171 13.380 7.731 1.00 22.22 O ATOM 1340 CB LYS A 89 -1.243 13.887 10.885 1.00 42.32 C ATOM 1341 CG LYS A 89 -2.270 14.984 11.128 1.00 11.35 C ATOM 1342 CD LYS A 89 -1.877 15.892 12.285 1.00 3.00 C ATOM 1343 CE LYS A 89 -1.953 15.173 13.631 1.00 1.24 C ATOM 1344 NZ LYS A 89 -3.322 14.658 13.910 1.00 34.23 N ATOM 0 H LYS A 89 0.172 12.041 9.525 1.00 42.43 H new ATOM 0 HA LYS A 89 -2.647 12.343 10.410 1.00 43.41 H new ATOM 0 HB2 LYS A 89 -0.944 13.467 11.845 1.00 42.32 H new ATOM 0 HB3 LYS A 89 -0.353 14.332 10.441 1.00 42.32 H new ATOM 0 HG2 LYS A 89 -2.384 15.580 10.223 1.00 11.35 H new ATOM 0 HG3 LYS A 89 -3.240 14.532 11.336 1.00 11.35 H new ATOM 0 HD2 LYS A 89 -0.863 16.260 12.128 1.00 3.00 H new ATOM 0 HD3 LYS A 89 -2.533 16.762 12.302 1.00 3.00 H new ATOM 0 HE2 LYS A 89 -1.245 14.344 13.640 1.00 1.24 H new ATOM 0 HE3 LYS A 89 -1.654 15.857 14.425 1.00 1.24 H new ATOM 0 HZ1 LYS A 89 -3.417 14.456 14.926 1.00 34.23 H new ATOM 0 HZ2 LYS A 89 -4.025 15.372 13.632 1.00 34.23 H new ATOM 0 HZ3 LYS A 89 -3.482 13.785 13.367 1.00 34.23 H new ATOM 1358 N TYR A 90 -3.352 13.456 8.313 1.00 34.14 N ATOM 1359 CA TYR A 90 -3.795 13.956 7.019 1.00 0.25 C ATOM 1360 C TYR A 90 -4.507 15.290 7.168 1.00 53.33 C ATOM 1361 O TYR A 90 -5.159 15.552 8.181 1.00 4.35 O ATOM 1362 CB TYR A 90 -4.744 12.976 6.314 1.00 65.31 C ATOM 1363 CG TYR A 90 -4.238 11.550 6.248 1.00 25.53 C ATOM 1364 CD1 TYR A 90 -3.136 11.221 5.467 1.00 74.04 C ATOM 1365 CD2 TYR A 90 -4.865 10.538 6.957 1.00 33.31 C ATOM 1366 CE1 TYR A 90 -2.675 9.925 5.391 1.00 52.43 C ATOM 1367 CE2 TYR A 90 -4.411 9.237 6.888 1.00 33.40 C ATOM 1368 CZ TYR A 90 -3.318 8.936 6.107 1.00 34.33 C ATOM 1369 OH TYR A 90 -2.870 7.641 6.035 1.00 21.35 O ATOM 0 H TYR A 90 -4.104 13.290 8.982 1.00 34.14 H new ATOM 0 HA TYR A 90 -2.897 14.075 6.413 1.00 0.25 H new ATOM 0 HB2 TYR A 90 -5.704 12.984 6.831 1.00 65.31 H new ATOM 0 HB3 TYR A 90 -4.925 13.331 5.300 1.00 65.31 H new ATOM 0 HD1 TYR A 90 -2.632 11.996 4.909 1.00 74.04 H new ATOM 0 HD2 TYR A 90 -5.721 10.771 7.572 1.00 33.31 H new ATOM 0 HE1 TYR A 90 -1.819 9.686 4.777 1.00 52.43 H new ATOM 0 HE2 TYR A 90 -4.911 8.458 7.444 1.00 33.40 H new ATOM 0 HH TYR A 90 -1.893 7.637 5.962 1.00 21.35 H new ATOM 1379 N LYS A 91 -4.358 16.121 6.149 1.00 22.43 N ATOM 1380 CA LYS A 91 -5.087 17.374 6.030 1.00 45.23 C ATOM 1381 C LYS A 91 -5.780 17.423 4.662 1.00 33.40 C ATOM 1382 O LYS A 91 -5.277 18.017 3.703 1.00 73.32 O ATOM 1383 CB LYS A 91 -4.142 18.591 6.267 1.00 20.40 C ATOM 1384 CG LYS A 91 -2.646 18.373 5.939 1.00 11.05 C ATOM 1385 CD LYS A 91 -2.318 18.470 4.449 1.00 60.43 C ATOM 1386 CE LYS A 91 -2.440 19.900 3.929 1.00 55.31 C ATOM 1387 NZ LYS A 91 -1.469 20.824 4.569 1.00 33.32 N ATOM 0 H LYS A 91 -3.721 15.943 5.373 1.00 22.43 H new ATOM 0 HA LYS A 91 -5.855 17.431 6.801 1.00 45.23 H new ATOM 0 HB2 LYS A 91 -4.505 19.427 5.669 1.00 20.40 H new ATOM 0 HB3 LYS A 91 -4.223 18.888 7.313 1.00 20.40 H new ATOM 0 HG2 LYS A 91 -2.054 19.111 6.480 1.00 11.05 H new ATOM 0 HG3 LYS A 91 -2.343 17.392 6.305 1.00 11.05 H new ATOM 0 HD2 LYS A 91 -1.305 18.107 4.276 1.00 60.43 H new ATOM 0 HD3 LYS A 91 -2.990 17.821 3.887 1.00 60.43 H new ATOM 0 HE2 LYS A 91 -2.284 19.905 2.850 1.00 55.31 H new ATOM 0 HE3 LYS A 91 -3.453 20.262 4.107 1.00 55.31 H new ATOM 0 HZ1 LYS A 91 -1.487 21.741 4.078 1.00 33.32 H new ATOM 0 HZ2 LYS A 91 -1.726 20.961 5.567 1.00 33.32 H new ATOM 0 HZ3 LYS A 91 -0.513 20.418 4.510 1.00 33.32 H new ATOM 1401 N ASP A 92 -6.951 16.788 4.563 1.00 64.14 N ATOM 1402 CA ASP A 92 -7.562 16.526 3.261 1.00 1.33 C ATOM 1403 C ASP A 92 -9.032 16.137 3.443 1.00 14.34 C ATOM 1404 O ASP A 92 -9.564 16.212 4.550 1.00 3.55 O ATOM 1405 CB ASP A 92 -6.785 15.401 2.575 1.00 33.15 C ATOM 1406 CG ASP A 92 -6.921 15.356 1.062 1.00 54.14 C ATOM 1407 OD1 ASP A 92 -6.540 16.328 0.391 1.00 31.20 O ATOM 1408 OD2 ASP A 92 -7.404 14.334 0.545 1.00 22.22 O ATOM 0 H ASP A 92 -7.489 16.450 5.361 1.00 64.14 H new ATOM 0 HA ASP A 92 -7.524 17.422 2.641 1.00 1.33 H new ATOM 0 HB2 ASP A 92 -5.729 15.503 2.827 1.00 33.15 H new ATOM 0 HB3 ASP A 92 -7.120 14.447 2.983 1.00 33.15 H new ATOM 1413 N ASN A 93 -9.678 15.728 2.354 1.00 4.11 N ATOM 1414 CA ASN A 93 -11.000 15.121 2.402 1.00 64.32 C ATOM 1415 C ASN A 93 -10.900 13.595 2.248 1.00 5.40 C ATOM 1416 O ASN A 93 -11.898 12.890 2.390 1.00 52.50 O ATOM 1417 CB ASN A 93 -11.895 15.697 1.297 1.00 63.12 C ATOM 1418 CG ASN A 93 -12.319 17.125 1.566 1.00 51.11 C ATOM 1419 OD1 ASN A 93 -13.352 17.366 2.181 1.00 53.34 O ATOM 1420 ND2 ASN A 93 -11.528 18.080 1.104 1.00 1.21 N ATOM 0 H ASN A 93 -9.296 15.810 1.412 1.00 4.11 H new ATOM 0 HA ASN A 93 -11.443 15.349 3.372 1.00 64.32 H new ATOM 0 HB2 ASN A 93 -11.363 15.654 0.347 1.00 63.12 H new ATOM 0 HB3 ASN A 93 -12.783 15.073 1.194 1.00 63.12 H new ATOM 0 HD21 ASN A 93 -11.769 19.060 1.255 1.00 1.21 H new ATOM 0 HD22 ASN A 93 -10.677 17.837 0.597 1.00 1.21 H new ATOM 1427 N ASP A 94 -9.692 13.090 1.970 1.00 34.12 N ATOM 1428 CA ASP A 94 -9.477 11.658 1.792 1.00 42.42 C ATOM 1429 C ASP A 94 -8.262 11.202 2.592 1.00 20.24 C ATOM 1430 O ASP A 94 -8.361 10.264 3.374 1.00 60.32 O ATOM 1431 CB ASP A 94 -9.254 11.295 0.322 1.00 71.02 C ATOM 1432 CG ASP A 94 -9.441 9.811 0.062 1.00 52.40 C ATOM 1433 OD1 ASP A 94 -10.591 9.386 -0.162 1.00 62.05 O ATOM 1434 OD2 ASP A 94 -8.448 9.064 0.072 1.00 63.23 O ATOM 0 H ASP A 94 -8.851 13.657 1.864 1.00 34.12 H new ATOM 0 HA ASP A 94 -10.376 11.155 2.147 1.00 42.42 H new ATOM 0 HB2 ASP A 94 -9.948 11.861 -0.299 1.00 71.02 H new ATOM 0 HB3 ASP A 94 -8.247 11.590 0.026 1.00 71.02 H new ATOM 1439 N GLY A 95 -7.127 11.890 2.417 1.00 25.22 N ATOM 1440 CA GLY A 95 -5.911 11.453 3.068 1.00 65.30 C ATOM 1441 C GLY A 95 -4.617 11.966 2.444 1.00 2.45 C ATOM 1442 O GLY A 95 -3.716 11.189 2.201 1.00 43.42 O ATOM 0 H GLY A 95 -7.036 12.729 1.843 1.00 25.22 H new ATOM 0 HA2 GLY A 95 -5.943 11.769 4.111 1.00 65.30 H new ATOM 0 HA3 GLY A 95 -5.889 10.363 3.066 1.00 65.30 H new ATOM 1446 N HIS A 96 -4.504 13.264 2.221 1.00 13.23 N ATOM 1447 CA HIS A 96 -3.234 13.874 1.817 1.00 41.13 C ATOM 1448 C HIS A 96 -2.425 14.194 3.062 1.00 4.51 C ATOM 1449 O HIS A 96 -2.931 14.788 4.002 1.00 74.30 O ATOM 1450 CB HIS A 96 -3.464 15.166 1.011 1.00 61.43 C ATOM 1451 CG HIS A 96 -2.218 15.832 0.502 1.00 74.51 C ATOM 1452 ND1 HIS A 96 -1.758 17.033 0.987 1.00 21.32 N ATOM 1453 CD2 HIS A 96 -1.338 15.451 -0.443 1.00 22.25 C ATOM 1454 CE1 HIS A 96 -0.642 17.359 0.368 1.00 34.15 C ATOM 1455 NE2 HIS A 96 -0.364 16.417 -0.506 1.00 43.30 N ATOM 0 H HIS A 96 -5.276 13.924 2.312 1.00 13.23 H new ATOM 0 HA HIS A 96 -2.697 13.170 1.181 1.00 41.13 H new ATOM 0 HB2 HIS A 96 -4.107 14.936 0.161 1.00 61.43 H new ATOM 0 HB3 HIS A 96 -4.006 15.875 1.638 1.00 61.43 H new ATOM 0 HD2 HIS A 96 -1.389 14.553 -1.040 1.00 22.25 H new ATOM 0 HE1 HIS A 96 -0.056 18.248 0.548 1.00 34.15 H new ATOM 0 HE2 HIS A 96 0.443 16.406 -1.129 1.00 43.30 H new ATOM 1464 N THR A 97 -1.166 13.847 3.026 1.00 63.54 N ATOM 1465 CA THR A 97 -0.285 14.100 4.139 1.00 72.01 C ATOM 1466 C THR A 97 0.709 15.203 3.787 1.00 71.25 C ATOM 1467 O THR A 97 1.184 15.299 2.649 1.00 12.15 O ATOM 1468 CB THR A 97 0.431 12.808 4.598 1.00 65.12 C ATOM 1469 OG1 THR A 97 1.433 13.102 5.579 1.00 71.45 O ATOM 1470 CG2 THR A 97 1.051 12.063 3.429 1.00 62.14 C ATOM 0 H THR A 97 -0.723 13.385 2.232 1.00 63.54 H new ATOM 0 HA THR A 97 -0.886 14.444 4.981 1.00 72.01 H new ATOM 0 HB THR A 97 -0.325 12.163 5.046 1.00 65.12 H new ATOM 0 HG1 THR A 97 1.036 13.063 6.474 1.00 71.45 H new ATOM 0 HG21 THR A 97 1.544 11.162 3.792 1.00 62.14 H new ATOM 0 HG22 THR A 97 0.272 11.789 2.718 1.00 62.14 H new ATOM 0 HG23 THR A 97 1.783 12.703 2.936 1.00 62.14 H new ATOM 1478 N ASP A 98 0.977 16.054 4.764 1.00 25.12 N ATOM 1479 CA ASP A 98 1.929 17.145 4.613 1.00 31.11 C ATOM 1480 C ASP A 98 3.309 16.713 5.126 1.00 1.13 C ATOM 1481 O ASP A 98 4.322 17.327 4.806 1.00 24.14 O ATOM 1482 CB ASP A 98 1.421 18.362 5.397 1.00 35.12 C ATOM 1483 CG ASP A 98 1.953 19.680 4.875 1.00 64.02 C ATOM 1484 OD1 ASP A 98 1.332 20.239 3.956 1.00 43.34 O ATOM 1485 OD2 ASP A 98 2.973 20.169 5.397 1.00 4.12 O ATOM 0 H ASP A 98 0.541 16.009 5.685 1.00 25.12 H new ATOM 0 HA ASP A 98 2.024 17.409 3.560 1.00 31.11 H new ATOM 0 HB2 ASP A 98 0.332 18.379 5.361 1.00 35.12 H new ATOM 0 HB3 ASP A 98 1.704 18.254 6.444 1.00 35.12 H new ATOM 1490 N ALA A 99 3.328 15.613 5.885 1.00 54.44 N ATOM 1491 CA ALA A 99 4.528 15.144 6.575 1.00 71.21 C ATOM 1492 C ALA A 99 5.498 14.404 5.653 1.00 45.04 C ATOM 1493 O ALA A 99 6.708 14.464 5.859 1.00 33.15 O ATOM 1494 CB ALA A 99 4.136 14.249 7.734 1.00 61.41 C ATOM 0 H ALA A 99 2.509 15.024 6.037 1.00 54.44 H new ATOM 0 HA ALA A 99 5.051 16.028 6.939 1.00 71.21 H new ATOM 0 HB1 ALA A 99 5.034 13.902 8.245 1.00 61.41 H new ATOM 0 HB2 ALA A 99 3.514 14.809 8.432 1.00 61.41 H new ATOM 0 HB3 ALA A 99 3.578 13.391 7.359 1.00 61.41 H new ATOM 1500 N ILE A 100 4.968 13.732 4.620 1.00 42.23 N ATOM 1501 CA ILE A 100 5.802 12.965 3.676 1.00 61.52 C ATOM 1502 C ILE A 100 6.187 13.859 2.454 1.00 70.33 C ATOM 1503 O ILE A 100 6.724 13.391 1.445 1.00 11.53 O ATOM 1504 CB ILE A 100 5.074 11.643 3.233 1.00 43.34 C ATOM 1505 CG1 ILE A 100 4.449 10.937 4.454 1.00 43.42 C ATOM 1506 CG2 ILE A 100 6.046 10.678 2.552 1.00 3.14 C ATOM 1507 CD1 ILE A 100 3.680 9.668 4.129 1.00 41.14 C ATOM 0 H ILE A 100 3.969 13.703 4.416 1.00 42.23 H new ATOM 0 HA ILE A 100 6.724 12.668 4.176 1.00 61.52 H new ATOM 0 HB ILE A 100 4.293 11.922 2.526 1.00 43.34 H new ATOM 0 HG12 ILE A 100 5.242 10.694 5.161 1.00 43.42 H new ATOM 0 HG13 ILE A 100 3.778 11.634 4.955 1.00 43.42 H new ATOM 0 HG21 ILE A 100 5.514 9.774 2.257 1.00 3.14 H new ATOM 0 HG22 ILE A 100 6.471 11.153 1.668 1.00 3.14 H new ATOM 0 HG23 ILE A 100 6.846 10.418 3.245 1.00 3.14 H new ATOM 0 HD11 ILE A 100 3.277 9.241 5.048 1.00 41.14 H new ATOM 0 HD12 ILE A 100 2.862 9.903 3.448 1.00 41.14 H new ATOM 0 HD13 ILE A 100 4.349 8.948 3.658 1.00 41.14 H new ATOM 1519 N SER A 101 5.955 15.175 2.623 1.00 21.41 N ATOM 1520 CA SER A 101 6.309 16.242 1.662 1.00 2.32 C ATOM 1521 C SER A 101 5.635 16.097 0.288 1.00 52.34 C ATOM 1522 O SER A 101 4.537 16.615 0.072 1.00 43.22 O ATOM 1523 CB SER A 101 7.839 16.370 1.524 1.00 33.41 C ATOM 1524 OG SER A 101 8.452 16.574 2.786 1.00 21.24 O ATOM 0 H SER A 101 5.500 15.539 3.460 1.00 21.41 H new ATOM 0 HA SER A 101 5.912 17.166 2.083 1.00 2.32 H new ATOM 0 HB2 SER A 101 8.242 15.468 1.062 1.00 33.41 H new ATOM 0 HB3 SER A 101 8.079 17.202 0.862 1.00 33.41 H new ATOM 0 HG SER A 101 9.422 16.650 2.670 1.00 21.24 H new ATOM 1530 N GLY A 102 6.288 15.365 -0.612 1.00 41.21 N ATOM 1531 CA GLY A 102 5.861 15.266 -1.998 1.00 22.22 C ATOM 1532 C GLY A 102 4.973 14.071 -2.297 1.00 43.33 C ATOM 1533 O GLY A 102 4.933 13.600 -3.434 1.00 52.54 O ATOM 0 H GLY A 102 7.127 14.826 -0.397 1.00 41.21 H new ATOM 0 HA2 GLY A 102 5.326 16.177 -2.267 1.00 22.22 H new ATOM 0 HA3 GLY A 102 6.744 15.215 -2.635 1.00 22.22 H new ATOM 1537 N ALA A 103 4.269 13.573 -1.289 1.00 33.03 N ATOM 1538 CA ALA A 103 3.261 12.546 -1.497 1.00 13.21 C ATOM 1539 C ALA A 103 1.920 13.207 -1.807 1.00 75.13 C ATOM 1540 O ALA A 103 1.155 13.541 -0.901 1.00 64.13 O ATOM 1541 CB ALA A 103 3.167 11.640 -0.278 1.00 42.33 C ATOM 0 H ALA A 103 4.379 13.865 -0.318 1.00 33.03 H new ATOM 0 HA ALA A 103 3.544 11.923 -2.346 1.00 13.21 H new ATOM 0 HB1 ALA A 103 2.408 10.877 -0.450 1.00 42.33 H new ATOM 0 HB2 ALA A 103 4.131 11.161 -0.105 1.00 42.33 H new ATOM 0 HB3 ALA A 103 2.895 12.232 0.595 1.00 42.33 H new ATOM 1547 N THR A 104 1.673 13.427 -3.101 1.00 52.40 N ATOM 1548 CA THR A 104 0.540 14.233 -3.561 1.00 43.33 C ATOM 1549 C THR A 104 -0.747 13.406 -3.671 1.00 62.23 C ATOM 1550 O THR A 104 -1.847 13.935 -3.505 1.00 74.13 O ATOM 1551 CB THR A 104 0.855 14.883 -4.926 1.00 54.00 C ATOM 1552 OG1 THR A 104 2.230 15.295 -4.958 1.00 23.24 O ATOM 1553 CG2 THR A 104 -0.029 16.102 -5.177 1.00 23.33 C ATOM 0 H THR A 104 2.249 13.054 -3.855 1.00 52.40 H new ATOM 0 HA THR A 104 0.379 15.011 -2.815 1.00 43.33 H new ATOM 0 HB THR A 104 0.661 14.143 -5.702 1.00 54.00 H new ATOM 0 HG1 THR A 104 2.428 15.706 -5.825 1.00 23.24 H new ATOM 0 HG21 THR A 104 0.217 16.537 -6.146 1.00 23.33 H new ATOM 0 HG22 THR A 104 -1.076 15.800 -5.171 1.00 23.33 H new ATOM 0 HG23 THR A 104 0.140 16.841 -4.394 1.00 23.33 H new ATOM 1561 N ILE A 105 -0.603 12.104 -3.934 1.00 22.40 N ATOM 1562 CA ILE A 105 -1.741 11.190 -3.987 1.00 23.52 C ATOM 1563 C ILE A 105 -2.211 10.921 -2.541 1.00 3.33 C ATOM 1564 O ILE A 105 -1.424 11.089 -1.600 1.00 41.02 O ATOM 1565 CB ILE A 105 -1.339 9.884 -4.775 1.00 3.23 C ATOM 1566 CG1 ILE A 105 -2.560 9.172 -5.437 1.00 32.34 C ATOM 1567 CG2 ILE A 105 -0.524 8.914 -3.913 1.00 4.20 C ATOM 1568 CD1 ILE A 105 -3.331 8.171 -4.580 1.00 10.11 C ATOM 0 H ILE A 105 0.297 11.660 -4.114 1.00 22.40 H new ATOM 0 HA ILE A 105 -2.580 11.623 -4.531 1.00 23.52 H new ATOM 0 HB ILE A 105 -0.695 10.217 -5.589 1.00 3.23 H new ATOM 0 HG12 ILE A 105 -3.258 9.939 -5.771 1.00 32.34 H new ATOM 0 HG13 ILE A 105 -2.206 8.653 -6.328 1.00 32.34 H new ATOM 0 HG21 ILE A 105 -0.271 8.031 -4.499 1.00 4.20 H new ATOM 0 HG22 ILE A 105 0.392 9.403 -3.581 1.00 4.20 H new ATOM 0 HG23 ILE A 105 -1.112 8.617 -3.045 1.00 4.20 H new ATOM 0 HD11 ILE A 105 -4.152 7.751 -5.161 1.00 10.11 H new ATOM 0 HD12 ILE A 105 -2.662 7.370 -4.266 1.00 10.11 H new ATOM 0 HD13 ILE A 105 -3.730 8.676 -3.701 1.00 10.11 H new ATOM 1580 N LYS A 106 -3.495 10.609 -2.360 1.00 12.52 N ATOM 1581 CA LYS A 106 -4.021 10.273 -1.051 1.00 22.24 C ATOM 1582 C LYS A 106 -3.406 8.974 -0.517 1.00 60.10 C ATOM 1583 O LYS A 106 -3.590 7.889 -1.070 1.00 33.31 O ATOM 1584 CB LYS A 106 -5.543 10.185 -1.073 1.00 74.52 C ATOM 1585 CG LYS A 106 -6.257 11.505 -1.337 1.00 42.23 C ATOM 1586 CD LYS A 106 -6.504 11.762 -2.818 1.00 60.10 C ATOM 1587 CE LYS A 106 -7.592 12.809 -3.045 1.00 45.44 C ATOM 1588 NZ LYS A 106 -7.284 14.112 -2.398 1.00 0.54 N ATOM 0 H LYS A 106 -4.186 10.584 -3.110 1.00 12.52 H new ATOM 0 HA LYS A 106 -3.741 11.078 -0.371 1.00 22.24 H new ATOM 0 HB2 LYS A 106 -5.840 9.468 -1.839 1.00 74.52 H new ATOM 0 HB3 LYS A 106 -5.884 9.789 -0.116 1.00 74.52 H new ATOM 0 HG2 LYS A 106 -7.211 11.508 -0.809 1.00 42.23 H new ATOM 0 HG3 LYS A 106 -5.663 12.322 -0.926 1.00 42.23 H new ATOM 0 HD2 LYS A 106 -5.578 12.094 -3.287 1.00 60.10 H new ATOM 0 HD3 LYS A 106 -6.791 10.830 -3.304 1.00 60.10 H new ATOM 0 HE2 LYS A 106 -7.724 12.963 -4.116 1.00 45.44 H new ATOM 0 HE3 LYS A 106 -8.539 12.432 -2.658 1.00 45.44 H new ATOM 0 HZ1 LYS A 106 -7.943 14.837 -2.747 1.00 0.54 H new ATOM 0 HZ2 LYS A 106 -7.385 14.020 -1.367 1.00 0.54 H new ATOM 0 HZ3 LYS A 106 -6.309 14.391 -2.627 1.00 0.54 H new ATOM 1602 N VAL A 107 -2.704 9.145 0.590 1.00 4.31 N ATOM 1603 CA VAL A 107 -1.861 8.140 1.226 1.00 35.23 C ATOM 1604 C VAL A 107 -2.660 7.296 2.249 1.00 70.12 C ATOM 1605 O VAL A 107 -2.168 6.284 2.766 1.00 1.42 O ATOM 1606 CB VAL A 107 -0.666 8.909 1.885 1.00 70.34 C ATOM 1607 CG1 VAL A 107 0.207 8.069 2.781 1.00 64.21 C ATOM 1608 CG2 VAL A 107 0.207 9.511 0.811 1.00 3.23 C ATOM 0 H VAL A 107 -2.705 10.030 1.096 1.00 4.31 H new ATOM 0 HA VAL A 107 -1.486 7.422 0.497 1.00 35.23 H new ATOM 0 HB VAL A 107 -1.128 9.669 2.514 1.00 70.34 H new ATOM 0 HG11 VAL A 107 1.007 8.685 3.192 1.00 64.21 H new ATOM 0 HG12 VAL A 107 -0.392 7.662 3.595 1.00 64.21 H new ATOM 0 HG13 VAL A 107 0.639 7.251 2.205 1.00 64.21 H new ATOM 0 HG21 VAL A 107 1.037 10.045 1.274 1.00 3.23 H new ATOM 0 HG22 VAL A 107 0.597 8.718 0.172 1.00 3.23 H new ATOM 0 HG23 VAL A 107 -0.381 10.205 0.211 1.00 3.23 H new ATOM 1618 N LYS A 108 -3.928 7.683 2.467 1.00 52.25 N ATOM 1619 CA LYS A 108 -4.809 7.041 3.455 1.00 50.43 C ATOM 1620 C LYS A 108 -4.979 5.542 3.176 1.00 4.22 C ATOM 1621 O LYS A 108 -4.996 4.752 4.104 1.00 52.33 O ATOM 1622 CB LYS A 108 -6.173 7.759 3.490 1.00 1.44 C ATOM 1623 CG LYS A 108 -6.992 7.508 4.756 1.00 14.11 C ATOM 1624 CD LYS A 108 -7.956 6.335 4.622 1.00 42.14 C ATOM 1625 CE LYS A 108 -8.570 5.978 5.964 1.00 54.31 C ATOM 1626 NZ LYS A 108 -9.572 4.893 5.841 1.00 13.11 N ATOM 0 H LYS A 108 -4.371 8.451 1.962 1.00 52.25 H new ATOM 0 HA LYS A 108 -4.341 7.130 4.435 1.00 50.43 H new ATOM 0 HB2 LYS A 108 -6.007 8.831 3.387 1.00 1.44 H new ATOM 0 HB3 LYS A 108 -6.758 7.443 2.626 1.00 1.44 H new ATOM 0 HG2 LYS A 108 -6.314 7.320 5.589 1.00 14.11 H new ATOM 0 HG3 LYS A 108 -7.556 8.408 5.001 1.00 14.11 H new ATOM 0 HD2 LYS A 108 -8.745 6.587 3.913 1.00 42.14 H new ATOM 0 HD3 LYS A 108 -7.429 5.471 4.218 1.00 42.14 H new ATOM 0 HE2 LYS A 108 -7.783 5.670 6.653 1.00 54.31 H new ATOM 0 HE3 LYS A 108 -9.042 6.861 6.394 1.00 54.31 H new ATOM 0 HZ1 LYS A 108 -9.856 4.574 6.789 1.00 13.11 H new ATOM 0 HZ2 LYS A 108 -10.406 5.247 5.331 1.00 13.11 H new ATOM 0 HZ3 LYS A 108 -9.158 4.096 5.317 1.00 13.11 H new ATOM 1640 N LYS A 109 -5.042 5.175 1.895 1.00 22.15 N ATOM 1641 CA LYS A 109 -5.195 3.784 1.460 1.00 1.45 C ATOM 1642 C LYS A 109 -3.989 2.911 1.859 1.00 64.03 C ATOM 1643 O LYS A 109 -4.167 1.765 2.255 1.00 23.13 O ATOM 1644 CB LYS A 109 -5.367 3.765 -0.058 1.00 73.13 C ATOM 1645 CG LYS A 109 -5.834 2.433 -0.626 1.00 23.03 C ATOM 1646 CD LYS A 109 -7.305 2.460 -1.034 1.00 54.22 C ATOM 1647 CE LYS A 109 -7.578 3.442 -2.179 1.00 2.40 C ATOM 1648 NZ LYS A 109 -6.694 3.215 -3.358 1.00 71.02 N ATOM 0 H LYS A 109 -4.988 5.840 1.123 1.00 22.15 H new ATOM 0 HA LYS A 109 -6.071 3.365 1.955 1.00 1.45 H new ATOM 0 HB2 LYS A 109 -6.084 4.536 -0.339 1.00 73.13 H new ATOM 0 HB3 LYS A 109 -4.417 4.030 -0.522 1.00 73.13 H new ATOM 0 HG2 LYS A 109 -5.224 2.176 -1.492 1.00 23.03 H new ATOM 0 HG3 LYS A 109 -5.680 1.650 0.116 1.00 23.03 H new ATOM 0 HD2 LYS A 109 -7.613 1.459 -1.337 1.00 54.22 H new ATOM 0 HD3 LYS A 109 -7.913 2.734 -0.172 1.00 54.22 H new ATOM 0 HE2 LYS A 109 -8.619 3.352 -2.489 1.00 2.40 H new ATOM 0 HE3 LYS A 109 -7.440 4.461 -1.818 1.00 2.40 H new ATOM 0 HZ1 LYS A 109 -7.078 3.720 -4.182 1.00 71.02 H new ATOM 0 HZ2 LYS A 109 -5.739 3.569 -3.149 1.00 71.02 H new ATOM 0 HZ3 LYS A 109 -6.648 2.197 -3.567 1.00 71.02 H new ATOM 1662 N PHE A 110 -2.776 3.473 1.768 1.00 33.03 N ATOM 1663 CA PHE A 110 -1.541 2.756 2.110 1.00 54.21 C ATOM 1664 C PHE A 110 -1.513 2.378 3.592 1.00 71.42 C ATOM 1665 O PHE A 110 -1.300 1.215 3.931 1.00 24.51 O ATOM 1666 CB PHE A 110 -0.302 3.609 1.746 1.00 12.41 C ATOM 1667 CG PHE A 110 1.006 3.049 2.247 1.00 23.31 C ATOM 1668 CD1 PHE A 110 1.605 1.959 1.639 1.00 41.43 C ATOM 1669 CD2 PHE A 110 1.615 3.609 3.353 1.00 71.04 C ATOM 1670 CE1 PHE A 110 2.785 1.437 2.139 1.00 34.24 C ATOM 1671 CE2 PHE A 110 2.791 3.100 3.851 1.00 21.11 C ATOM 1672 CZ PHE A 110 3.376 2.011 3.248 1.00 61.14 C ATOM 0 H PHE A 110 -2.624 4.432 1.457 1.00 33.03 H new ATOM 0 HA PHE A 110 -1.515 1.835 1.528 1.00 54.21 H new ATOM 0 HB2 PHE A 110 -0.250 3.708 0.662 1.00 12.41 H new ATOM 0 HB3 PHE A 110 -0.434 4.612 2.152 1.00 12.41 H new ATOM 0 HD1 PHE A 110 1.148 1.513 0.768 1.00 41.43 H new ATOM 0 HD2 PHE A 110 1.159 4.461 3.835 1.00 71.04 H new ATOM 0 HE1 PHE A 110 3.243 0.582 1.663 1.00 34.24 H new ATOM 0 HE2 PHE A 110 3.255 3.554 4.714 1.00 21.11 H new ATOM 0 HZ PHE A 110 4.296 1.605 3.641 1.00 61.14 H new ATOM 1682 N PHE A 111 -1.742 3.362 4.459 1.00 32.23 N ATOM 1683 CA PHE A 111 -1.677 3.140 5.900 1.00 13.31 C ATOM 1684 C PHE A 111 -2.869 2.343 6.408 1.00 52.44 C ATOM 1685 O PHE A 111 -2.739 1.609 7.374 1.00 24.50 O ATOM 1686 CB PHE A 111 -1.552 4.462 6.650 1.00 71.30 C ATOM 1687 CG PHE A 111 -0.160 5.027 6.620 1.00 71.25 C ATOM 1688 CD1 PHE A 111 0.782 4.620 7.550 1.00 24.44 C ATOM 1689 CD2 PHE A 111 0.209 5.960 5.675 1.00 62.40 C ATOM 1690 CE1 PHE A 111 2.060 5.130 7.533 1.00 22.53 C ATOM 1691 CE2 PHE A 111 1.490 6.472 5.653 1.00 73.02 C ATOM 1692 CZ PHE A 111 2.412 6.056 6.583 1.00 72.12 C ATOM 0 H PHE A 111 -1.974 4.318 4.189 1.00 32.23 H new ATOM 0 HA PHE A 111 -0.783 2.547 6.094 1.00 13.31 H new ATOM 0 HB2 PHE A 111 -2.241 5.186 6.215 1.00 71.30 H new ATOM 0 HB3 PHE A 111 -1.856 4.315 7.686 1.00 71.30 H new ATOM 0 HD1 PHE A 111 0.510 3.892 8.300 1.00 24.44 H new ATOM 0 HD2 PHE A 111 -0.512 6.294 4.944 1.00 62.40 H new ATOM 0 HE1 PHE A 111 2.784 4.803 8.265 1.00 22.53 H new ATOM 0 HE2 PHE A 111 1.768 7.200 4.905 1.00 73.02 H new ATOM 0 HZ PHE A 111 3.414 6.458 6.566 1.00 72.12 H new ATOM 1702 N ASP A 112 -4.008 2.468 5.716 1.00 0.23 N ATOM 1703 CA ASP A 112 -5.235 1.722 6.030 1.00 22.53 C ATOM 1704 C ASP A 112 -5.007 0.230 5.896 1.00 73.11 C ATOM 1705 O ASP A 112 -5.312 -0.544 6.796 1.00 30.51 O ATOM 1706 CB ASP A 112 -6.340 2.102 5.052 1.00 54.41 C ATOM 1707 CG ASP A 112 -7.730 2.005 5.637 1.00 4.02 C ATOM 1708 OD1 ASP A 112 -7.863 1.731 6.844 1.00 62.54 O ATOM 1709 OD2 ASP A 112 -8.702 2.224 4.890 1.00 42.10 O ATOM 0 H ASP A 112 -4.106 3.094 4.917 1.00 0.23 H new ATOM 0 HA ASP A 112 -5.517 1.969 7.054 1.00 22.53 H new ATOM 0 HB2 ASP A 112 -6.172 3.122 4.706 1.00 54.41 H new ATOM 0 HB3 ASP A 112 -6.278 1.454 4.178 1.00 54.41 H new ATOM 1714 N LEU A 113 -4.427 -0.138 4.761 1.00 53.43 N ATOM 1715 CA LEU A 113 -4.209 -1.525 4.401 1.00 1.14 C ATOM 1716 C LEU A 113 -2.999 -2.124 5.115 1.00 51.25 C ATOM 1717 O LEU A 113 -2.888 -3.339 5.225 1.00 12.25 O ATOM 1718 CB LEU A 113 -4.063 -1.655 2.882 1.00 3.41 C ATOM 1719 CG LEU A 113 -5.354 -1.933 2.098 1.00 15.22 C ATOM 1720 CD1 LEU A 113 -6.116 -3.073 2.739 1.00 13.01 C ATOM 1721 CD2 LEU A 113 -6.237 -0.701 1.989 1.00 15.21 C ATOM 0 H LEU A 113 -4.094 0.526 4.062 1.00 53.43 H new ATOM 0 HA LEU A 113 -5.081 -2.092 4.727 1.00 1.14 H new ATOM 0 HB2 LEU A 113 -3.622 -0.734 2.500 1.00 3.41 H new ATOM 0 HB3 LEU A 113 -3.356 -2.458 2.673 1.00 3.41 H new ATOM 0 HG LEU A 113 -5.067 -2.213 1.084 1.00 15.22 H new ATOM 0 HD11 LEU A 113 -7.030 -3.262 2.176 1.00 13.01 H new ATOM 0 HD12 LEU A 113 -5.497 -3.970 2.738 1.00 13.01 H new ATOM 0 HD13 LEU A 113 -6.371 -2.809 3.765 1.00 13.01 H new ATOM 0 HD21 LEU A 113 -7.137 -0.947 1.426 1.00 15.21 H new ATOM 0 HD22 LEU A 113 -6.514 -0.363 2.987 1.00 15.21 H new ATOM 0 HD23 LEU A 113 -5.694 0.092 1.475 1.00 15.21 H new ATOM 1733 N ALA A 114 -2.094 -1.263 5.574 1.00 21.11 N ATOM 1734 CA ALA A 114 -1.003 -1.674 6.452 1.00 61.22 C ATOM 1735 C ALA A 114 -1.524 -2.086 7.837 1.00 74.45 C ATOM 1736 O ALA A 114 -1.036 -3.049 8.418 1.00 34.34 O ATOM 1737 CB ALA A 114 0.018 -0.557 6.568 1.00 72.42 C ATOM 0 H ALA A 114 -2.096 -0.268 5.350 1.00 21.11 H new ATOM 0 HA ALA A 114 -0.520 -2.547 6.013 1.00 61.22 H new ATOM 0 HB1 ALA A 114 0.829 -0.872 7.225 1.00 72.42 H new ATOM 0 HB2 ALA A 114 0.419 -0.327 5.581 1.00 72.42 H new ATOM 0 HB3 ALA A 114 -0.460 0.331 6.981 1.00 72.42 H new ATOM 1743 N GLN A 115 -2.547 -1.374 8.337 1.00 5.23 N ATOM 1744 CA GLN A 115 -3.206 -1.713 9.613 1.00 21.33 C ATOM 1745 C GLN A 115 -4.017 -3.007 9.482 1.00 15.02 C ATOM 1746 O GLN A 115 -4.121 -3.786 10.429 1.00 55.34 O ATOM 1747 CB GLN A 115 -4.142 -0.585 10.052 1.00 10.15 C ATOM 1748 CG GLN A 115 -3.450 0.737 10.317 1.00 3.42 C ATOM 1749 CD GLN A 115 -4.416 1.909 10.343 1.00 2.21 C ATOM 1750 OE1 GLN A 115 -5.573 1.779 10.731 1.00 63.24 O ATOM 1751 NE2 GLN A 115 -3.949 3.064 9.899 1.00 2.43 N ATOM 0 H GLN A 115 -2.939 -0.554 7.874 1.00 5.23 H new ATOM 0 HA GLN A 115 -2.424 -1.851 10.360 1.00 21.33 H new ATOM 0 HB2 GLN A 115 -4.899 -0.437 9.281 1.00 10.15 H new ATOM 0 HB3 GLN A 115 -4.665 -0.895 10.957 1.00 10.15 H new ATOM 0 HG2 GLN A 115 -2.925 0.683 11.271 1.00 3.42 H new ATOM 0 HG3 GLN A 115 -2.697 0.909 9.548 1.00 3.42 H new ATOM 0 HE21 GLN A 115 -2.981 3.136 9.584 1.00 2.43 H new ATOM 0 HE22 GLN A 115 -4.556 3.883 9.871 1.00 2.43 H new ATOM 1760 N LYS A 116 -4.583 -3.216 8.288 1.00 21.45 N ATOM 1761 CA LYS A 116 -5.355 -4.414 7.961 1.00 41.25 C ATOM 1762 C LYS A 116 -4.448 -5.635 7.758 1.00 44.22 C ATOM 1763 O LYS A 116 -4.894 -6.773 7.887 1.00 34.30 O ATOM 1764 CB LYS A 116 -6.234 -4.161 6.726 1.00 0.35 C ATOM 1765 CG LYS A 116 -7.322 -3.119 6.977 1.00 34.24 C ATOM 1766 CD LYS A 116 -8.168 -2.829 5.743 1.00 42.43 C ATOM 1767 CE LYS A 116 -9.054 -4.006 5.357 1.00 62.30 C ATOM 1768 NZ LYS A 116 -9.947 -3.666 4.220 1.00 32.30 N ATOM 0 H LYS A 116 -4.516 -2.551 7.517 1.00 21.45 H new ATOM 0 HA LYS A 116 -6.005 -4.638 8.807 1.00 41.25 H new ATOM 0 HB2 LYS A 116 -5.605 -3.831 5.899 1.00 0.35 H new ATOM 0 HB3 LYS A 116 -6.699 -5.098 6.418 1.00 0.35 H new ATOM 0 HG2 LYS A 116 -7.971 -3.466 7.781 1.00 34.24 H new ATOM 0 HG3 LYS A 116 -6.858 -2.193 7.318 1.00 34.24 H new ATOM 0 HD2 LYS A 116 -8.791 -1.955 5.930 1.00 42.43 H new ATOM 0 HD3 LYS A 116 -7.514 -2.581 4.907 1.00 42.43 H new ATOM 0 HE2 LYS A 116 -8.431 -4.859 5.089 1.00 62.30 H new ATOM 0 HE3 LYS A 116 -9.655 -4.307 6.215 1.00 62.30 H new ATOM 0 HZ1 LYS A 116 -10.774 -4.297 4.227 1.00 32.30 H new ATOM 0 HZ2 LYS A 116 -10.264 -2.680 4.310 1.00 32.30 H new ATOM 0 HZ3 LYS A 116 -9.430 -3.783 3.325 1.00 32.30 H new ATOM 1782 N ALA A 117 -3.190 -5.393 7.391 1.00 22.10 N ATOM 1783 CA ALA A 117 -2.195 -6.454 7.259 1.00 65.05 C ATOM 1784 C ALA A 117 -1.760 -6.985 8.622 1.00 51.23 C ATOM 1785 O ALA A 117 -1.721 -8.186 8.848 1.00 15.22 O ATOM 1786 CB ALA A 117 -0.989 -5.954 6.475 1.00 61.43 C ATOM 0 H ALA A 117 -2.834 -4.461 7.178 1.00 22.10 H new ATOM 0 HA ALA A 117 -2.656 -7.277 6.713 1.00 65.05 H new ATOM 0 HB1 ALA A 117 -0.256 -6.756 6.385 1.00 61.43 H new ATOM 0 HB2 ALA A 117 -1.306 -5.639 5.481 1.00 61.43 H new ATOM 0 HB3 ALA A 117 -0.540 -5.109 6.997 1.00 61.43 H new ATOM 1792 N LEU A 118 -1.494 -6.081 9.553 1.00 72.14 N ATOM 1793 CA LEU A 118 -0.913 -6.450 10.841 1.00 52.34 C ATOM 1794 C LEU A 118 -1.964 -6.585 11.947 1.00 3.34 C ATOM 1795 O LEU A 118 -1.605 -6.684 13.116 1.00 41.32 O ATOM 1796 CB LEU A 118 0.112 -5.394 11.238 1.00 3.05 C ATOM 1797 CG LEU A 118 1.286 -5.248 10.282 1.00 50.15 C ATOM 1798 CD1 LEU A 118 1.603 -3.786 10.095 1.00 63.24 C ATOM 1799 CD2 LEU A 118 2.494 -5.990 10.812 1.00 2.33 C ATOM 0 H LEU A 118 -1.671 -5.083 9.443 1.00 72.14 H new ATOM 0 HA LEU A 118 -0.444 -7.427 10.726 1.00 52.34 H new ATOM 0 HB2 LEU A 118 -0.393 -4.431 11.320 1.00 3.05 H new ATOM 0 HB3 LEU A 118 0.497 -5.637 12.228 1.00 3.05 H new ATOM 0 HG LEU A 118 1.019 -5.681 9.318 1.00 50.15 H new ATOM 0 HD11 LEU A 118 2.444 -3.681 9.410 1.00 63.24 H new ATOM 0 HD12 LEU A 118 0.733 -3.275 9.682 1.00 63.24 H new ATOM 0 HD13 LEU A 118 1.861 -3.344 11.057 1.00 63.24 H new ATOM 0 HD21 LEU A 118 3.325 -5.876 10.116 1.00 2.33 H new ATOM 0 HD22 LEU A 118 2.775 -5.582 11.783 1.00 2.33 H new ATOM 0 HD23 LEU A 118 2.253 -7.048 10.919 1.00 2.33 H new ATOM 1811 N LYS A 119 -3.247 -6.628 11.560 1.00 10.42 N ATOM 1812 CA LYS A 119 -4.388 -6.599 12.503 1.00 40.02 C ATOM 1813 C LYS A 119 -4.368 -7.731 13.550 1.00 52.41 C ATOM 1814 O LYS A 119 -4.477 -7.466 14.746 1.00 31.11 O ATOM 1815 CB LYS A 119 -5.716 -6.609 11.733 1.00 32.33 C ATOM 1816 CG LYS A 119 -5.895 -7.773 10.757 1.00 63.13 C ATOM 1817 CD LYS A 119 -7.338 -7.938 10.311 1.00 33.14 C ATOM 1818 CE LYS A 119 -7.845 -6.727 9.551 1.00 22.11 C ATOM 1819 NZ LYS A 119 -9.289 -6.834 9.253 1.00 71.52 N ATOM 0 H LYS A 119 -3.530 -6.684 10.582 1.00 10.42 H new ATOM 0 HA LYS A 119 -4.288 -5.670 13.065 1.00 40.02 H new ATOM 0 HB2 LYS A 119 -6.534 -6.630 12.453 1.00 32.33 H new ATOM 0 HB3 LYS A 119 -5.803 -5.675 11.179 1.00 32.33 H new ATOM 0 HG2 LYS A 119 -5.264 -7.611 9.883 1.00 63.13 H new ATOM 0 HG3 LYS A 119 -5.556 -8.695 11.229 1.00 63.13 H new ATOM 0 HD2 LYS A 119 -7.422 -8.823 9.680 1.00 33.14 H new ATOM 0 HD3 LYS A 119 -7.969 -8.108 11.183 1.00 33.14 H new ATOM 0 HE2 LYS A 119 -7.660 -5.826 10.136 1.00 22.11 H new ATOM 0 HE3 LYS A 119 -7.288 -6.622 8.620 1.00 22.11 H new ATOM 0 HZ1 LYS A 119 -9.600 -5.989 8.733 1.00 71.52 H new ATOM 0 HZ2 LYS A 119 -9.462 -7.680 8.673 1.00 71.52 H new ATOM 0 HZ3 LYS A 119 -9.822 -6.909 10.143 1.00 71.52 H new ATOM 1833 N ASP A 120 -4.206 -8.974 13.103 1.00 11.53 N ATOM 1834 CA ASP A 120 -4.125 -10.117 14.009 1.00 65.33 C ATOM 1835 C ASP A 120 -2.680 -10.517 14.221 1.00 33.23 C ATOM 1836 O ASP A 120 -2.373 -11.313 15.108 1.00 73.32 O ATOM 1837 CB ASP A 120 -4.879 -11.323 13.452 1.00 25.13 C ATOM 1838 CG ASP A 120 -6.333 -11.055 13.181 1.00 72.01 C ATOM 1839 OD1 ASP A 120 -7.109 -10.922 14.146 1.00 23.11 O ATOM 1840 OD2 ASP A 120 -6.707 -10.978 11.995 1.00 75.32 O ATOM 0 H ASP A 120 -4.128 -9.216 12.115 1.00 11.53 H new ATOM 0 HA ASP A 120 -4.578 -9.814 14.953 1.00 65.33 H new ATOM 0 HB2 ASP A 120 -4.400 -11.645 12.527 1.00 25.13 H new ATOM 0 HB3 ASP A 120 -4.797 -12.149 14.158 1.00 25.13 H new ATOM 1845 N ALA A 121 -1.814 -9.932 13.380 1.00 44.14 N ATOM 1846 CA ALA A 121 -0.396 -10.280 13.258 1.00 64.34 C ATOM 1847 C ALA A 121 -0.179 -11.761 12.894 1.00 61.24 C ATOM 1848 O ALA A 121 0.814 -12.378 13.284 1.00 2.34 O ATOM 1849 CB ALA A 121 0.381 -9.874 14.501 1.00 51.30 C ATOM 0 H ALA A 121 -2.093 -9.181 12.748 1.00 44.14 H new ATOM 0 HA ALA A 121 0.002 -9.705 12.422 1.00 64.34 H new ATOM 0 HB1 ALA A 121 1.430 -10.146 14.379 1.00 51.30 H new ATOM 0 HB2 ALA A 121 0.300 -8.797 14.645 1.00 51.30 H new ATOM 0 HB3 ALA A 121 -0.029 -10.388 15.370 1.00 51.30 H new ATOM 1855 N GLU A 122 -1.089 -12.288 12.075 1.00 1.14 N ATOM 1856 CA GLU A 122 -1.010 -13.670 11.600 1.00 74.30 C ATOM 1857 C GLU A 122 -0.821 -13.735 10.082 1.00 64.25 C ATOM 1858 O GLU A 122 -0.596 -14.815 9.534 1.00 54.11 O ATOM 1859 CB GLU A 122 -2.282 -14.435 11.980 1.00 42.13 C ATOM 1860 CG GLU A 122 -3.555 -13.842 11.395 1.00 44.31 C ATOM 1861 CD GLU A 122 -4.766 -14.726 11.575 1.00 23.13 C ATOM 1862 OE1 GLU A 122 -4.933 -15.310 12.662 1.00 21.05 O ATOM 1863 OE2 GLU A 122 -5.551 -14.854 10.619 1.00 15.54 O ATOM 0 H GLU A 122 -1.897 -11.773 11.724 1.00 1.14 H new ATOM 0 HA GLU A 122 -0.144 -14.128 12.077 1.00 74.30 H new ATOM 0 HB2 GLU A 122 -2.187 -15.468 11.645 1.00 42.13 H new ATOM 0 HB3 GLU A 122 -2.369 -14.459 13.066 1.00 42.13 H new ATOM 0 HG2 GLU A 122 -3.746 -12.877 11.864 1.00 44.31 H new ATOM 0 HG3 GLU A 122 -3.405 -13.656 10.332 1.00 44.31 H new ATOM 1870 N LYS A 123 -0.934 -12.580 9.411 1.00 3.32 N ATOM 1871 CA LYS A 123 -0.909 -12.521 7.947 1.00 31.03 C ATOM 1872 C LYS A 123 0.484 -12.826 7.412 1.00 5.23 C ATOM 1873 O LYS A 123 1.444 -12.115 7.702 1.00 4.44 O ATOM 1874 CB LYS A 123 -1.363 -11.143 7.432 1.00 12.33 C ATOM 1875 CG LYS A 123 -2.871 -10.954 7.253 1.00 54.12 C ATOM 1876 CD LYS A 123 -3.643 -10.884 8.571 1.00 42.32 C ATOM 1877 CE LYS A 123 -5.110 -10.539 8.347 1.00 3.42 C ATOM 1878 NZ LYS A 123 -5.771 -11.451 7.375 1.00 42.25 N ATOM 0 H LYS A 123 -1.044 -11.672 9.863 1.00 3.32 H new ATOM 0 HA LYS A 123 -1.605 -13.277 7.585 1.00 31.03 H new ATOM 0 HB2 LYS A 123 -1.002 -10.382 8.124 1.00 12.33 H new ATOM 0 HB3 LYS A 123 -0.878 -10.958 6.473 1.00 12.33 H new ATOM 0 HG2 LYS A 123 -3.049 -10.038 6.689 1.00 54.12 H new ATOM 0 HG3 LYS A 123 -3.263 -11.777 6.656 1.00 54.12 H new ATOM 0 HD2 LYS A 123 -3.569 -11.841 9.087 1.00 42.32 H new ATOM 0 HD3 LYS A 123 -3.188 -10.136 9.220 1.00 42.32 H new ATOM 0 HE2 LYS A 123 -5.639 -10.584 9.299 1.00 3.42 H new ATOM 0 HE3 LYS A 123 -5.187 -9.513 7.987 1.00 3.42 H new ATOM 0 HZ1 LYS A 123 -6.791 -11.249 7.348 1.00 42.25 H new ATOM 0 HZ2 LYS A 123 -5.364 -11.305 6.429 1.00 42.25 H new ATOM 0 HZ3 LYS A 123 -5.621 -12.438 7.667 1.00 42.25 H new ATOM 1892 N LEU A 124 0.592 -13.911 6.671 1.00 2.20 N ATOM 1893 CA LEU A 124 1.847 -14.285 6.047 1.00 72.51 C ATOM 1894 C LEU A 124 1.536 -15.034 4.764 1.00 44.52 C ATOM 1895 O LEU A 124 0.924 -16.105 4.795 1.00 3.42 O ATOM 1896 CB LEU A 124 2.697 -15.140 7.009 1.00 23.33 C ATOM 1897 CG LEU A 124 4.223 -14.927 6.940 1.00 12.03 C ATOM 1898 CD1 LEU A 124 4.882 -15.500 8.184 1.00 44.23 C ATOM 1899 CD2 LEU A 124 4.832 -15.567 5.698 1.00 21.01 C ATOM 0 H LEU A 124 -0.179 -14.553 6.485 1.00 2.20 H new ATOM 0 HA LEU A 124 2.431 -13.395 5.812 1.00 72.51 H new ATOM 0 HB2 LEU A 124 2.368 -14.938 8.028 1.00 23.33 H new ATOM 0 HB3 LEU A 124 2.488 -16.191 6.809 1.00 23.33 H new ATOM 0 HG LEU A 124 4.402 -13.853 6.885 1.00 12.03 H new ATOM 0 HD11 LEU A 124 5.960 -15.346 8.129 1.00 44.23 H new ATOM 0 HD12 LEU A 124 4.489 -14.998 9.068 1.00 44.23 H new ATOM 0 HD13 LEU A 124 4.671 -16.567 8.249 1.00 44.23 H new ATOM 0 HD21 LEU A 124 5.908 -15.393 5.689 1.00 21.01 H new ATOM 0 HD22 LEU A 124 4.638 -16.640 5.709 1.00 21.01 H new ATOM 0 HD23 LEU A 124 4.386 -15.127 4.806 1.00 21.01 H new ATOM 1911 N GLU A 125 1.926 -14.448 3.639 1.00 44.23 N ATOM 1912 CA GLU A 125 1.726 -15.084 2.350 1.00 51.34 C ATOM 1913 C GLU A 125 2.922 -14.809 1.434 1.00 31.44 C ATOM 1914 O GLU A 125 3.790 -15.663 1.285 1.00 55.00 O ATOM 1915 CB GLU A 125 0.411 -14.608 1.703 1.00 62.31 C ATOM 1916 CG GLU A 125 -0.353 -15.694 0.946 1.00 4.34 C ATOM 1917 CD GLU A 125 0.467 -16.377 -0.131 1.00 55.05 C ATOM 1918 OE1 GLU A 125 0.637 -15.791 -1.212 1.00 75.24 O ATOM 1919 OE2 GLU A 125 0.972 -17.492 0.118 1.00 73.33 O ATOM 0 H GLU A 125 2.381 -13.536 3.596 1.00 44.23 H new ATOM 0 HA GLU A 125 1.650 -16.161 2.501 1.00 51.34 H new ATOM 0 HB2 GLU A 125 -0.236 -14.202 2.481 1.00 62.31 H new ATOM 0 HB3 GLU A 125 0.634 -13.792 1.016 1.00 62.31 H new ATOM 0 HG2 GLU A 125 -0.700 -16.444 1.657 1.00 4.34 H new ATOM 0 HG3 GLU A 125 -1.239 -15.252 0.490 1.00 4.34 H new ATOM 1926 N HIS A 126 2.964 -13.622 0.830 1.00 32.20 N ATOM 1927 CA HIS A 126 4.030 -13.272 -0.112 1.00 62.53 C ATOM 1928 C HIS A 126 5.191 -12.633 0.622 1.00 21.13 C ATOM 1929 O HIS A 126 5.017 -11.600 1.256 1.00 2.30 O ATOM 1930 CB HIS A 126 3.538 -12.283 -1.181 1.00 24.12 C ATOM 1931 CG HIS A 126 2.539 -12.831 -2.155 1.00 63.11 C ATOM 1932 ND1 HIS A 126 1.309 -12.248 -2.371 1.00 54.15 N ATOM 1933 CD2 HIS A 126 2.610 -13.879 -2.999 1.00 63.41 C ATOM 1934 CE1 HIS A 126 0.665 -12.920 -3.305 1.00 72.25 C ATOM 1935 NE2 HIS A 126 1.434 -13.912 -3.704 1.00 44.11 N ATOM 0 H HIS A 126 2.273 -12.886 0.975 1.00 32.20 H new ATOM 0 HA HIS A 126 4.345 -14.197 -0.596 1.00 62.53 H new ATOM 0 HB2 HIS A 126 3.096 -11.422 -0.679 1.00 24.12 H new ATOM 0 HB3 HIS A 126 4.401 -11.918 -1.738 1.00 24.12 H new ATOM 0 HD2 HIS A 126 3.438 -14.565 -3.101 1.00 63.41 H new ATOM 0 HE1 HIS A 126 -0.323 -12.696 -3.679 1.00 72.25 H new ATOM 0 HE2 HIS A 126 1.194 -14.595 -4.422 1.00 44.11 H new ATOM 1944 N HIS A 127 6.370 -13.245 0.540 1.00 43.51 N ATOM 1945 CA HIS A 127 7.581 -12.649 1.100 1.00 3.31 C ATOM 1946 C HIS A 127 8.304 -11.886 -0.006 1.00 44.42 C ATOM 1947 O HIS A 127 8.842 -12.487 -0.945 1.00 13.32 O ATOM 1948 CB HIS A 127 8.504 -13.731 1.716 1.00 4.44 C ATOM 1949 CG HIS A 127 9.652 -13.197 2.551 1.00 43.10 C ATOM 1950 ND1 HIS A 127 9.831 -13.523 3.878 1.00 11.21 N ATOM 1951 CD2 HIS A 127 10.674 -12.355 2.248 1.00 61.24 C ATOM 1952 CE1 HIS A 127 10.900 -12.903 4.348 1.00 71.45 C ATOM 1953 NE2 HIS A 127 11.433 -12.183 3.381 1.00 13.25 N ATOM 0 H HIS A 127 6.513 -14.151 0.093 1.00 43.51 H new ATOM 0 HA HIS A 127 7.309 -11.964 1.903 1.00 3.31 H new ATOM 0 HB2 HIS A 127 7.899 -14.391 2.338 1.00 4.44 H new ATOM 0 HB3 HIS A 127 8.914 -14.339 0.910 1.00 4.44 H new ATOM 0 HD2 HIS A 127 10.858 -11.900 1.286 1.00 61.24 H new ATOM 0 HE1 HIS A 127 11.275 -12.975 5.358 1.00 71.45 H new ATOM 0 HE2 HIS A 127 12.265 -11.599 3.460 1.00 13.25 H new ATOM 1962 N HIS A 128 8.316 -10.567 0.105 1.00 71.01 N ATOM 1963 CA HIS A 128 9.078 -9.751 -0.817 1.00 51.02 C ATOM 1964 C HIS A 128 9.892 -8.717 -0.049 1.00 13.52 C ATOM 1965 O HIS A 128 9.437 -8.164 0.954 1.00 71.05 O ATOM 1966 CB HIS A 128 8.170 -9.073 -1.853 1.00 22.54 C ATOM 1967 CG HIS A 128 8.904 -8.680 -3.100 1.00 41.41 C ATOM 1968 ND1 HIS A 128 9.549 -7.476 -3.239 1.00 72.12 N ATOM 1969 CD2 HIS A 128 9.138 -9.361 -4.242 1.00 14.43 C ATOM 1970 CE1 HIS A 128 10.152 -7.427 -4.404 1.00 45.33 C ATOM 1971 NE2 HIS A 128 9.919 -8.555 -5.034 1.00 0.12 N ATOM 0 H HIS A 128 7.810 -10.045 0.820 1.00 71.01 H new ATOM 0 HA HIS A 128 9.761 -10.402 -1.362 1.00 51.02 H new ATOM 0 HB2 HIS A 128 7.356 -9.749 -2.114 1.00 22.54 H new ATOM 0 HB3 HIS A 128 7.718 -8.186 -1.408 1.00 22.54 H new ATOM 0 HD2 HIS A 128 8.780 -10.350 -4.486 1.00 14.43 H new ATOM 0 HE1 HIS A 128 10.738 -6.601 -4.779 1.00 45.33 H new ATOM 0 HE2 HIS A 128 10.263 -8.795 -5.964 1.00 0.12 H new ATOM 1980 N HIS A 129 11.094 -8.485 -0.549 1.00 20.24 N ATOM 1981 CA HIS A 129 12.039 -7.561 0.039 1.00 35.21 C ATOM 1982 C HIS A 129 12.655 -6.687 -1.057 1.00 14.51 C ATOM 1983 O HIS A 129 13.031 -7.190 -2.116 1.00 15.42 O ATOM 1984 CB HIS A 129 13.136 -8.368 0.777 1.00 51.35 C ATOM 1985 CG HIS A 129 14.297 -7.569 1.312 1.00 74.31 C ATOM 1986 ND1 HIS A 129 14.254 -6.880 2.497 1.00 2.33 N ATOM 1987 CD2 HIS A 129 15.528 -7.353 0.799 1.00 23.52 C ATOM 1988 CE1 HIS A 129 15.403 -6.267 2.688 1.00 63.14 C ATOM 1989 NE2 HIS A 129 16.201 -6.539 1.676 1.00 0.42 N ATOM 0 H HIS A 129 11.443 -8.944 -1.390 1.00 20.24 H new ATOM 0 HA HIS A 129 11.534 -6.910 0.753 1.00 35.21 H new ATOM 0 HB2 HIS A 129 12.672 -8.898 1.608 1.00 51.35 H new ATOM 0 HB3 HIS A 129 13.525 -9.124 0.094 1.00 51.35 H new ATOM 0 HD1 HIS A 129 13.456 -6.848 3.131 1.00 2.33 H new ATOM 0 HD2 HIS A 129 15.912 -7.748 -0.130 1.00 23.52 H new ATOM 0 HE1 HIS A 129 15.651 -5.644 3.535 1.00 63.14 H new ATOM 1998 N HIS A 130 12.743 -5.387 -0.793 1.00 71.41 N ATOM 1999 CA HIS A 130 13.612 -4.514 -1.575 1.00 52.13 C ATOM 2000 C HIS A 130 14.347 -3.543 -0.650 1.00 44.10 C ATOM 2001 O HIS A 130 13.965 -3.370 0.510 1.00 53.04 O ATOM 2002 CB HIS A 130 12.857 -3.789 -2.729 1.00 32.04 C ATOM 2003 CG HIS A 130 11.801 -2.770 -2.361 1.00 31.44 C ATOM 2004 ND1 HIS A 130 10.463 -2.948 -2.629 1.00 32.01 N ATOM 2005 CD2 HIS A 130 11.904 -1.525 -1.848 1.00 62.43 C ATOM 2006 CE1 HIS A 130 9.798 -1.855 -2.305 1.00 24.23 C ATOM 2007 NE2 HIS A 130 10.647 -0.982 -1.829 1.00 51.31 N ATOM 0 H HIS A 130 12.227 -4.917 -0.049 1.00 71.41 H new ATOM 0 HA HIS A 130 14.356 -5.137 -2.072 1.00 52.13 H new ATOM 0 HB2 HIS A 130 13.600 -3.289 -3.351 1.00 32.04 H new ATOM 0 HB3 HIS A 130 12.383 -4.551 -3.348 1.00 32.04 H new ATOM 0 HD1 HIS A 130 10.049 -3.795 -3.018 1.00 32.01 H new ATOM 0 HD2 HIS A 130 12.812 -1.045 -1.514 1.00 62.43 H new ATOM 0 HE1 HIS A 130 8.734 -1.707 -2.414 1.00 24.23 H new ATOM 2016 N HIS A 131 15.407 -2.931 -1.160 1.00 61.15 N ATOM 2017 CA HIS A 131 16.140 -1.911 -0.413 1.00 34.03 C ATOM 2018 C HIS A 131 15.682 -0.515 -0.814 1.00 32.15 C ATOM 2019 O HIS A 131 15.005 -0.333 -1.829 1.00 65.13 O ATOM 2020 CB HIS A 131 17.650 -2.042 -0.631 1.00 73.30 C ATOM 2021 CG HIS A 131 18.353 -2.833 0.430 1.00 3.11 C ATOM 2022 ND1 HIS A 131 19.016 -4.008 0.184 1.00 50.22 N ATOM 2023 CD2 HIS A 131 18.525 -2.579 1.745 1.00 54.32 C ATOM 2024 CE1 HIS A 131 19.566 -4.444 1.298 1.00 31.02 C ATOM 2025 NE2 HIS A 131 19.287 -3.594 2.265 1.00 43.04 N ATOM 0 H HIS A 131 15.781 -3.122 -2.090 1.00 61.15 H new ATOM 0 HA HIS A 131 15.928 -2.065 0.645 1.00 34.03 H new ATOM 0 HB2 HIS A 131 17.828 -2.513 -1.598 1.00 73.30 H new ATOM 0 HB3 HIS A 131 18.088 -1.045 -0.676 1.00 73.30 H new ATOM 0 HD2 HIS A 131 18.134 -1.731 2.288 1.00 54.32 H new ATOM 0 HE1 HIS A 131 20.149 -5.348 1.402 1.00 31.02 H new ATOM 0 HE2 HIS A 131 19.587 -3.677 3.236 1.00 43.04 H new TER 2034 HIS A 131