USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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 11 ASN : amide:sc= -0.216 K(o=1.4,f=-9.9!) USER MOD Set 1.2: A 13 ASN : amide:sc= 0.616 K(o=1.4,f=-5!) USER MOD Set 1.3: A 65 LYS NZ :NH3+ 146:sc= 0.958 (180deg=0.919) USER MOD Set 2.1: A 37 SER OG : rot -18:sc= 1.12 USER MOD Set 2.2: A 38 GLN : amide:sc= -1.94! C(o=-0.82!,f=-19!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -94:sc= 0.715 USER MOD Single : A 12 HIS : no HD1:sc= 0.00583 X(o=0.0058,f=-0.33) USER MOD Single : A 14 THR OG1 : rot 27:sc= 0.339 USER MOD Single : A 15 MET CE :methyl -124:sc=-0.00152 (180deg=-0.695) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -37:sc= 0.027 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 66:sc= 0.974 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.853 K(o=-0.85,f=-4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.636 X(o=-0.64,f=-1.1) USER MOD Single : A 58 MET CE :methyl -166:sc= -0.0115 (180deg=-0.247) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0368 K(o=-0.037,f=-1.3!) USER MOD Single : A 70 ASN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -10.232 3.562 3.938 1.00 50.00 N ATOM 21 CA LYS A 2 -9.680 4.904 4.080 1.00 50.00 C ATOM 22 C LYS A 2 -8.656 4.960 5.205 1.00 50.00 C ATOM 23 O LYS A 2 -8.712 4.175 6.151 1.00 50.00 O ATOM 24 CB LYS A 2 -10.796 5.918 4.335 1.00 50.00 C ATOM 25 CG LYS A 2 -11.476 5.779 5.692 1.00 50.00 C ATOM 26 CD LYS A 2 -12.501 6.881 5.912 1.00 50.00 C ATOM 27 CE LYS A 2 -13.185 6.738 7.264 1.00 75.00 C ATOM 28 NZ LYS A 2 -14.207 7.797 7.485 1.00 75.00 N ATOM 0 HA LYS A 2 -9.177 5.159 3.147 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -10.383 6.923 4.251 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.549 5.816 3.553 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -11.964 4.807 5.759 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.726 5.814 6.482 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -12.012 7.853 5.851 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -13.248 6.849 5.119 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -13.658 5.758 7.329 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -12.437 6.785 8.056 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -14.649 7.664 8.417 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -13.752 8.732 7.448 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -14.935 7.737 6.745 1.00 75.00 H new ATOM 42 N ILE A 3 -7.716 5.895 5.095 1.00 50.00 N ATOM 43 CA ILE A 3 -6.583 5.953 6.010 1.00 50.00 C ATOM 44 C ILE A 3 -6.971 6.610 7.329 1.00 50.00 C ATOM 45 O ILE A 3 -7.589 7.675 7.344 1.00 50.00 O ATOM 46 CB ILE A 3 -5.398 6.719 5.394 1.00 50.00 C ATOM 47 CG1 ILE A 3 -4.877 5.991 4.154 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.288 6.895 6.419 1.00 50.00 C ATOM 49 CD1 ILE A 3 -3.903 6.804 3.332 1.00 50.00 C ATOM 0 H ILE A 3 -7.718 6.623 4.380 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.279 4.923 6.198 1.00 50.00 H new ATOM 0 HB ILE A 3 -5.744 7.707 5.091 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.392 5.066 4.465 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -5.723 5.712 3.526 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -3.458 7.438 5.967 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -4.667 7.456 7.273 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -3.942 5.917 6.753 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -3.579 6.221 2.470 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -4.390 7.717 2.989 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.038 7.061 3.943 1.00 50.00 H new ATOM 61 N ILE A 4 -6.607 5.968 8.434 1.00 10.00 N ATOM 62 CA ILE A 4 -6.660 6.607 9.743 1.00 10.00 C ATOM 63 C ILE A 4 -5.286 7.113 10.165 1.00 10.00 C ATOM 64 O ILE A 4 -5.152 8.229 10.667 1.00 50.00 O ATOM 65 CB ILE A 4 -7.196 5.646 10.820 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.657 5.290 10.538 1.00 50.00 C ATOM 67 CG2 ILE A 4 -7.053 6.263 12.203 1.00 50.00 C ATOM 68 CD1 ILE A 4 -9.226 4.253 11.480 1.00 50.00 C ATOM 0 H ILE A 4 -6.272 5.005 8.449 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.342 7.452 9.652 1.00 10.00 H new ATOM 0 HB ILE A 4 -6.606 4.730 10.791 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -9.261 6.195 10.602 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.741 4.923 9.515 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -7.437 5.570 12.952 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -6.001 6.468 12.403 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.618 7.194 12.246 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -10.265 4.053 11.217 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -8.648 3.332 11.400 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -9.176 4.625 12.503 1.00 50.00 H new ATOM 80 N SER A 5 -4.268 6.285 9.960 1.00 10.00 N ATOM 81 CA SER A 5 -2.900 6.651 10.305 1.00 10.00 C ATOM 82 C SER A 5 -1.893 5.749 9.605 1.00 10.00 C ATOM 83 O SER A 5 -2.101 4.540 9.495 1.00 50.00 O ATOM 84 CB SER A 5 -2.708 6.592 11.809 1.00 50.00 C ATOM 85 OG SER A 5 -1.390 6.885 12.184 1.00 50.00 O ATOM 0 H SER A 5 -4.365 5.354 9.556 1.00 10.00 H new ATOM 0 HA SER A 5 -2.726 7.672 9.964 1.00 10.00 H new ATOM 0 HB2 SER A 5 -3.386 7.298 12.289 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.975 5.598 12.169 1.00 50.00 H new ATOM 0 HG SER A 5 -1.309 6.838 13.160 1.00 50.00 H new ATOM 91 N ILE A 6 -0.802 6.340 9.134 1.00 10.00 N ATOM 92 CA ILE A 6 0.286 5.578 8.533 1.00 10.00 C ATOM 93 C ILE A 6 1.525 5.595 9.419 1.00 10.00 C ATOM 94 O ILE A 6 1.969 6.654 9.862 1.00 50.00 O ATOM 95 CB ILE A 6 0.655 6.122 7.141 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.532 5.986 6.184 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.871 5.392 6.591 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.290 6.595 4.821 1.00 50.00 C ATOM 0 H ILE A 6 -0.647 7.348 9.157 1.00 10.00 H new ATOM 0 HA ILE A 6 -0.069 4.553 8.429 1.00 10.00 H new ATOM 0 HB ILE A 6 0.902 7.179 7.236 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.769 4.929 6.062 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.405 6.459 6.633 1.00 50.00 H new ATOM 0 HG21 ILE A 6 2.119 5.788 5.606 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.717 5.536 7.263 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.650 4.328 6.509 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.175 6.459 4.199 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.083 7.660 4.930 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.563 6.106 4.350 1.00 50.00 H new ATOM 110 N SER A 7 2.080 4.414 9.674 1.00 10.00 N ATOM 111 CA SER A 7 3.251 4.287 10.532 1.00 10.00 C ATOM 112 C SER A 7 4.436 3.716 9.764 1.00 10.00 C ATOM 113 O SER A 7 4.264 3.039 8.751 1.00 50.00 O ATOM 114 CB SER A 7 2.928 3.416 11.731 1.00 50.00 C ATOM 115 OG SER A 7 1.916 3.968 12.524 1.00 50.00 O ATOM 0 H SER A 7 1.736 3.531 9.298 1.00 10.00 H new ATOM 0 HA SER A 7 3.526 5.282 10.881 1.00 10.00 H new ATOM 0 HB2 SER A 7 2.621 2.428 11.389 1.00 50.00 H new ATOM 0 HB3 SER A 7 3.827 3.280 12.333 1.00 50.00 H new ATOM 0 HG SER A 7 1.737 3.376 13.284 1.00 50.00 H new ATOM 121 N GLU A 8 5.640 3.995 10.252 1.00 10.00 N ATOM 122 CA GLU A 8 6.852 3.443 9.660 1.00 50.00 C ATOM 123 C GLU A 8 7.223 2.111 10.303 1.00 10.00 C ATOM 124 O GLU A 8 6.684 1.744 11.347 1.00 50.00 O ATOM 125 CB GLU A 8 8.014 4.432 9.795 1.00 50.00 C ATOM 126 CG GLU A 8 7.823 5.733 9.028 1.00 50.00 C ATOM 127 CD GLU A 8 8.992 6.656 9.221 1.00 50.00 C ATOM 128 OE1 GLU A 8 9.849 6.343 10.012 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.088 7.620 8.497 1.00 50.00 O ATOM 0 H GLU A 8 5.802 4.601 11.057 1.00 10.00 H new ATOM 0 HA GLU A 8 6.655 3.269 8.602 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.157 4.664 10.850 1.00 50.00 H new ATOM 0 HB3 GLU A 8 8.928 3.950 9.448 1.00 50.00 H new ATOM 0 HG2 GLU A 8 7.698 5.517 7.967 1.00 50.00 H new ATOM 0 HG3 GLU A 8 6.910 6.224 9.363 1.00 50.00 H new ATOM 136 N THR A 9 8.144 1.392 9.671 1.00 50.00 N ATOM 137 CA THR A 9 8.542 0.071 10.144 1.00 10.00 C ATOM 138 C THR A 9 10.058 -0.067 10.182 1.00 10.00 C ATOM 139 O THR A 9 10.780 0.764 9.632 1.00 50.00 O ATOM 140 CB THR A 9 7.956 -1.045 9.261 1.00 50.00 C ATOM 141 OG1 THR A 9 8.654 -1.080 8.008 1.00 50.00 O ATOM 142 CG2 THR A 9 6.476 -0.805 9.007 1.00 50.00 C ATOM 0 H THR A 9 8.629 1.702 8.829 1.00 50.00 H new ATOM 0 HA THR A 9 8.146 -0.033 11.154 1.00 10.00 H new ATOM 0 HB THR A 9 8.074 -1.997 9.778 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.174 -0.534 7.351 1.00 50.00 H new ATOM 0 HG21 THR A 9 6.080 -1.605 8.381 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.942 -0.789 9.957 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.344 0.151 8.501 1.00 50.00 H new ATOM 150 N PRO A 10 10.535 -1.119 10.836 1.00 50.00 N ATOM 151 CA PRO A 10 11.966 -1.372 10.942 1.00 50.00 C ATOM 152 C PRO A 10 12.623 -1.397 9.568 1.00 50.00 C ATOM 153 O PRO A 10 13.787 -1.024 9.417 1.00 50.00 O ATOM 154 CB PRO A 10 12.056 -2.729 11.648 1.00 50.00 C ATOM 155 CG PRO A 10 10.803 -2.813 12.450 1.00 50.00 C ATOM 156 CD PRO A 10 9.749 -2.134 11.617 1.00 50.00 C ATOM 0 HA PRO A 10 12.493 -0.592 11.492 1.00 50.00 H new ATOM 0 HB2 PRO A 10 12.124 -3.547 10.930 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.939 -2.788 12.284 1.00 50.00 H new ATOM 0 HG2 PRO A 10 10.535 -3.850 12.653 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.920 -2.319 13.415 1.00 50.00 H new ATOM 0 HD2 PRO A 10 9.237 -2.839 10.962 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.986 -1.663 12.237 1.00 50.00 H new ATOM 164 N ASN A 11 11.872 -1.841 8.566 1.00 50.00 N ATOM 165 CA ASN A 11 12.309 -1.746 7.178 1.00 50.00 C ATOM 166 C ASN A 11 11.734 -0.509 6.501 1.00 50.00 C ATOM 167 O ASN A 11 10.533 -0.435 6.241 1.00 50.00 O ATOM 168 CB ASN A 11 11.941 -2.992 6.394 1.00 50.00 C ATOM 169 CG ASN A 11 12.470 -3.000 4.987 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.863 -1.960 4.444 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.407 -4.150 4.366 1.00 50.00 N ATOM 0 H ASN A 11 10.955 -2.271 8.690 1.00 50.00 H new ATOM 0 HA ASN A 11 13.395 -1.659 7.189 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.322 -3.867 6.921 1.00 50.00 H new ATOM 0 HB3 ASN A 11 10.855 -3.085 6.365 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.690 -4.218 3.388 1.00 50.00 H new ATOM 0 HD22 ASN A 11 12.075 -4.979 4.860 1.00 50.00 H new ATOM 178 N HIS A 12 12.597 0.459 6.219 1.00 50.00 N ATOM 179 CA HIS A 12 12.152 1.776 5.776 1.00 50.00 C ATOM 180 C HIS A 12 11.573 1.716 4.368 1.00 50.00 C ATOM 181 O HIS A 12 10.981 2.683 3.890 1.00 50.00 O ATOM 182 CB HIS A 12 13.307 2.782 5.826 1.00 50.00 C ATOM 183 CG HIS A 12 14.371 2.528 4.803 1.00 50.00 C ATOM 184 ND1 HIS A 12 15.365 1.588 4.981 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.596 3.090 3.593 1.00 50.00 C ATOM 186 CE1 HIS A 12 16.156 1.583 3.922 1.00 75.00 C ATOM 187 NE2 HIS A 12 15.712 2.485 3.066 1.00 75.00 N ATOM 0 H HIS A 12 13.610 0.358 6.289 1.00 50.00 H new ATOM 0 HA HIS A 12 11.367 2.106 6.456 1.00 50.00 H new ATOM 0 HB2 HIS A 12 12.909 3.786 5.682 1.00 50.00 H new ATOM 0 HB3 HIS A 12 13.756 2.757 6.819 1.00 50.00 H new ATOM 0 HD2 HIS A 12 14.009 3.868 3.128 1.00 50.00 H new ATOM 0 HE1 HIS A 12 17.019 0.949 3.781 1.00 75.00 H new ATOM 0 HE2 HIS A 12 16.130 2.698 2.160 1.00 75.00 H new ATOM 195 N ASN A 13 11.749 0.577 3.709 1.00 10.00 N ATOM 196 CA ASN A 13 11.302 0.411 2.332 1.00 10.00 C ATOM 197 C ASN A 13 9.861 -0.080 2.274 1.00 10.00 C ATOM 198 O ASN A 13 9.313 -0.301 1.195 1.00 50.00 O ATOM 199 CB ASN A 13 12.209 -0.532 1.562 1.00 50.00 C ATOM 200 CG ASN A 13 13.576 0.030 1.290 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.725 1.054 0.612 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.579 -0.675 1.745 1.00 50.00 N ATOM 0 H ASN A 13 12.199 -0.247 4.107 1.00 10.00 H new ATOM 0 HA ASN A 13 11.351 1.392 1.859 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.313 -1.461 2.123 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.735 -0.784 0.614 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.537 -0.387 1.545 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.403 -1.513 2.300 1.00 50.00 H new ATOM 209 N THR A 14 9.252 -0.250 3.443 1.00 10.00 N ATOM 210 CA THR A 14 7.840 -0.600 3.527 1.00 10.00 C ATOM 211 C THR A 14 7.159 0.126 4.679 1.00 10.00 C ATOM 212 O THR A 14 7.747 0.306 5.746 1.00 50.00 O ATOM 213 CB THR A 14 7.645 -2.117 3.704 1.00 50.00 C ATOM 214 OG1 THR A 14 6.245 -2.419 3.748 1.00 50.00 O ATOM 215 CG2 THR A 14 8.302 -2.593 4.991 1.00 50.00 C ATOM 0 H THR A 14 9.716 -0.151 4.346 1.00 10.00 H new ATOM 0 HA THR A 14 7.384 -0.290 2.587 1.00 10.00 H new ATOM 0 HB THR A 14 8.109 -2.628 2.860 1.00 50.00 H new ATOM 0 HG1 THR A 14 5.748 -1.738 3.250 1.00 50.00 H new ATOM 0 HG21 THR A 14 8.154 -3.667 5.099 1.00 50.00 H new ATOM 0 HG22 THR A 14 9.370 -2.375 4.957 1.00 50.00 H new ATOM 0 HG23 THR A 14 7.854 -2.078 5.840 1.00 50.00 H new ATOM 223 N MET A 15 5.917 0.543 4.459 1.00 10.00 N ATOM 224 CA MET A 15 5.186 1.333 5.443 1.00 10.00 C ATOM 225 C MET A 15 3.844 0.696 5.774 1.00 10.00 C ATOM 226 O MET A 15 3.264 -0.018 4.955 1.00 50.00 O ATOM 227 CB MET A 15 4.985 2.757 4.930 1.00 50.00 C ATOM 228 CG MET A 15 6.269 3.558 4.774 1.00 50.00 C ATOM 229 SD MET A 15 5.988 5.188 4.051 1.00 50.00 S ATOM 230 CE MET A 15 5.275 6.057 5.446 1.00 50.00 C ATOM 0 H MET A 15 5.394 0.346 3.606 1.00 10.00 H new ATOM 0 HA MET A 15 5.777 1.365 6.358 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.479 2.714 3.966 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.322 3.286 5.615 1.00 50.00 H new ATOM 0 HG2 MET A 15 6.741 3.674 5.750 1.00 50.00 H new ATOM 0 HG3 MET A 15 6.966 3.002 4.147 1.00 50.00 H new ATOM 0 HE1 MET A 15 4.305 6.465 5.163 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.149 5.366 6.279 1.00 50.00 H new ATOM 0 HE3 MET A 15 5.937 6.870 5.745 1.00 50.00 H new ATOM 240 N LYS A 16 3.351 0.958 6.980 1.00 10.00 N ATOM 241 CA LYS A 16 2.115 0.349 7.451 1.00 10.00 C ATOM 242 C LYS A 16 0.957 1.340 7.397 1.00 10.00 C ATOM 243 O LYS A 16 1.050 2.445 7.929 1.00 50.00 O ATOM 244 CB LYS A 16 2.286 -0.181 8.876 1.00 50.00 C ATOM 245 CG LYS A 16 1.024 -0.776 9.483 1.00 50.00 C ATOM 246 CD LYS A 16 1.244 -1.183 10.931 1.00 50.00 C ATOM 247 CE LYS A 16 -0.054 -1.634 11.584 1.00 50.00 C ATOM 248 NZ LYS A 16 0.146 -2.034 13.004 1.00 50.00 N ATOM 0 H LYS A 16 3.791 1.590 7.649 1.00 10.00 H new ATOM 0 HA LYS A 16 1.882 -0.485 6.789 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.067 -0.941 8.876 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.632 0.632 9.514 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.214 -0.049 9.427 1.00 50.00 H new ATOM 0 HG3 LYS A 16 0.714 -1.645 8.902 1.00 50.00 H new ATOM 0 HD2 LYS A 16 1.976 -1.990 10.977 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.660 -0.343 11.487 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.785 -0.827 11.534 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.468 -2.474 11.026 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.763 -2.334 13.411 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 0.824 -2.822 13.051 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.517 -1.226 13.543 1.00 50.00 H new ATOM 262 N ILE A 17 -0.131 0.935 6.751 1.00 10.00 N ATOM 263 CA ILE A 17 -1.264 1.825 6.528 1.00 10.00 C ATOM 264 C ILE A 17 -2.499 1.345 7.280 1.00 10.00 C ATOM 265 O ILE A 17 -3.166 0.401 6.859 1.00 50.00 O ATOM 266 CB ILE A 17 -1.602 1.944 5.031 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.377 2.424 4.245 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.774 2.890 4.823 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.533 2.313 2.746 1.00 50.00 C ATOM 0 H ILE A 17 -0.252 -0.004 6.372 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.972 2.805 6.905 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.887 0.959 4.660 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.175 3.463 4.504 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.492 1.844 4.555 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -2.999 2.962 3.759 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.647 2.510 5.354 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.517 3.877 5.207 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.374 2.671 2.258 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.704 1.271 2.474 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.381 2.916 2.423 1.00 50.00 H new ATOM 281 N THR A 18 -2.798 2.002 8.395 1.00 10.00 N ATOM 282 CA THR A 18 -3.961 1.651 9.202 1.00 10.00 C ATOM 283 C THR A 18 -5.241 2.212 8.597 1.00 10.00 C ATOM 284 O THR A 18 -5.361 3.419 8.383 1.00 50.00 O ATOM 285 CB THR A 18 -3.822 2.166 10.648 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.662 1.583 11.255 1.00 50.00 O ATOM 287 CG2 THR A 18 -5.054 1.803 11.464 1.00 50.00 C ATOM 0 H THR A 18 -2.251 2.781 8.761 1.00 10.00 H new ATOM 0 HA THR A 18 -4.015 0.562 9.216 1.00 10.00 H new ATOM 0 HB THR A 18 -3.722 3.251 10.624 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.573 1.912 12.174 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.938 2.174 12.482 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.937 2.255 11.011 1.00 50.00 H new ATOM 0 HG23 THR A 18 -5.171 0.719 11.484 1.00 50.00 H new ATOM 295 N LEU A 19 -6.194 1.329 8.321 1.00 10.00 N ATOM 296 CA LEU A 19 -7.421 1.716 7.635 1.00 50.00 C ATOM 297 C LEU A 19 -8.619 1.664 8.574 1.00 10.00 C ATOM 298 O LEU A 19 -8.585 0.986 9.602 1.00 50.00 O ATOM 299 CB LEU A 19 -7.657 0.811 6.418 1.00 50.00 C ATOM 300 CG LEU A 19 -6.539 0.824 5.369 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.855 -0.171 4.259 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.386 2.228 4.806 1.00 50.00 C ATOM 0 H LEU A 19 -6.140 0.339 8.562 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.307 2.745 7.295 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.794 -0.212 6.767 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.588 1.111 5.937 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.599 0.529 5.835 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.056 -0.155 3.518 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.939 -1.172 4.681 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.797 0.102 3.783 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.591 2.236 4.060 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.322 2.538 4.342 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.135 2.918 5.612 1.00 50.00 H new ATOM 314 N SER A 20 -9.677 2.383 8.217 1.00 10.00 N ATOM 315 CA SER A 20 -10.924 2.341 8.974 1.00 10.00 C ATOM 316 C SER A 20 -11.725 1.088 8.645 1.00 50.00 C ATOM 317 O SER A 20 -12.077 0.314 9.535 1.00 50.00 O ATOM 318 CB SER A 20 -11.747 3.583 8.694 1.00 50.00 C ATOM 319 OG SER A 20 -12.964 3.575 9.387 1.00 50.00 O ATOM 0 H SER A 20 -9.697 3.003 7.407 1.00 10.00 H new ATOM 0 HA SER A 20 -10.677 2.312 10.035 1.00 10.00 H new ATOM 0 HB2 SER A 20 -11.176 4.467 8.976 1.00 50.00 H new ATOM 0 HB3 SER A 20 -11.940 3.656 7.624 1.00 50.00 H new ATOM 0 HG SER A 20 -13.463 4.393 9.181 1.00 50.00 H new ATOM 414 N THR A 27 -8.564 -11.264 7.014 1.00 50.00 N ATOM 415 CA THR A 27 -7.511 -12.268 6.917 1.00 50.00 C ATOM 416 C THR A 27 -6.370 -11.786 6.030 1.00 50.00 C ATOM 417 O THR A 27 -6.506 -10.797 5.310 1.00 50.00 O ATOM 418 CB THR A 27 -8.049 -13.600 6.366 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.531 -13.409 5.032 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.178 -14.123 7.241 1.00 75.00 C ATOM 0 HA THR A 27 -7.137 -12.429 7.928 1.00 50.00 H new ATOM 0 HB THR A 27 -7.238 -14.329 6.365 1.00 50.00 H new ATOM 0 HG1 THR A 27 -8.965 -12.533 4.963 1.00 50.00 H new ATOM 0 HG21 THR A 27 -9.546 -15.066 6.836 1.00 75.00 H new ATOM 0 HG22 THR A 27 -8.809 -14.283 8.254 1.00 75.00 H new ATOM 0 HG23 THR A 27 -9.990 -13.396 7.261 1.00 75.00 H new ATOM 428 N SER A 28 -5.246 -12.491 6.085 1.00 10.00 N ATOM 429 CA SER A 28 -4.048 -12.083 5.359 1.00 10.00 C ATOM 430 C SER A 28 -4.198 -12.333 3.864 1.00 10.00 C ATOM 431 O SER A 28 -4.968 -13.196 3.444 1.00 50.00 O ATOM 432 CB SER A 28 -2.836 -12.817 5.898 1.00 50.00 C ATOM 433 OG SER A 28 -2.890 -14.191 5.630 1.00 50.00 O ATOM 0 H SER A 28 -5.139 -13.349 6.626 1.00 10.00 H new ATOM 0 HA SER A 28 -3.909 -11.012 5.507 1.00 10.00 H new ATOM 0 HB2 SER A 28 -1.932 -12.397 5.456 1.00 50.00 H new ATOM 0 HB3 SER A 28 -2.767 -12.660 6.974 1.00 50.00 H new ATOM 0 HG SER A 28 -2.090 -14.627 5.992 1.00 50.00 H new ATOM 439 N ASP A 29 -3.458 -11.572 3.066 1.00 10.00 N ATOM 440 CA ASP A 29 -3.479 -11.736 1.617 1.00 10.00 C ATOM 441 C ASP A 29 -2.272 -11.069 0.970 1.00 10.00 C ATOM 442 O ASP A 29 -1.663 -10.170 1.549 1.00 50.00 O ATOM 443 CB ASP A 29 -4.773 -11.164 1.030 1.00 50.00 C ATOM 444 CG ASP A 29 -5.159 -11.743 -0.322 1.00 50.00 C ATOM 445 OD1 ASP A 29 -4.419 -12.548 -0.836 1.00 50.00 O ATOM 446 OD2 ASP A 29 -6.261 -11.501 -0.756 1.00 50.00 O ATOM 0 H ASP A 29 -2.836 -10.835 3.398 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.435 -12.804 1.402 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.586 -11.342 1.733 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.667 -10.084 0.932 1.00 50.00 H new ATOM 451 N THR A 30 -1.931 -11.515 -0.234 1.00 10.00 N ATOM 452 CA THR A 30 -0.760 -11.004 -0.936 1.00 10.00 C ATOM 453 C THR A 30 -1.149 -10.372 -2.267 1.00 10.00 C ATOM 454 O THR A 30 -1.821 -10.996 -3.088 1.00 50.00 O ATOM 455 CB THR A 30 0.275 -12.115 -1.190 1.00 50.00 C ATOM 456 OG1 THR A 30 0.707 -12.664 0.062 1.00 50.00 O ATOM 457 CG2 THR A 30 1.479 -11.561 -1.937 1.00 50.00 C ATOM 0 H THR A 30 -2.450 -12.230 -0.744 1.00 10.00 H new ATOM 0 HA THR A 30 -0.314 -10.245 -0.293 1.00 10.00 H new ATOM 0 HB THR A 30 -0.190 -12.893 -1.796 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.364 -13.372 -0.101 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.200 -12.360 -2.108 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.157 -11.152 -2.895 1.00 50.00 H new ATOM 0 HG23 THR A 30 1.944 -10.773 -1.344 1.00 50.00 H new ATOM 465 N TYR A 31 -0.720 -9.132 -2.475 1.00 10.00 N ATOM 466 CA TYR A 31 -1.064 -8.396 -3.685 1.00 10.00 C ATOM 467 C TYR A 31 0.184 -7.888 -4.395 1.00 10.00 C ATOM 468 O TYR A 31 0.811 -6.923 -3.956 1.00 50.00 O ATOM 469 CB TYR A 31 -1.991 -7.224 -3.353 1.00 50.00 C ATOM 470 CG TYR A 31 -3.293 -7.638 -2.703 1.00 50.00 C ATOM 471 CD1 TYR A 31 -4.210 -8.428 -3.383 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.601 -7.240 -1.411 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.400 -8.807 -2.795 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.788 -7.614 -0.812 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.686 -8.400 -1.508 1.00 50.00 C ATOM 476 OH TYR A 31 -6.870 -8.777 -0.915 1.00 50.00 O ATOM 0 H TYR A 31 -0.133 -8.615 -1.820 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.583 -9.081 -4.355 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.467 -6.536 -2.689 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -2.212 -6.677 -4.270 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.989 -8.752 -4.389 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.901 -6.627 -0.863 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -6.104 -9.419 -3.340 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -5.013 -7.294 0.195 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.873 -9.747 -0.778 1.00 50.00 H new ATOM 486 N THR A 32 0.541 -8.542 -5.494 1.00 10.00 N ATOM 487 CA THR A 32 1.702 -8.142 -6.281 1.00 10.00 C ATOM 488 C THR A 32 1.310 -7.823 -7.718 1.00 10.00 C ATOM 489 O THR A 32 1.992 -7.062 -8.404 1.00 50.00 O ATOM 490 CB THR A 32 2.783 -9.239 -6.287 1.00 50.00 C ATOM 491 OG1 THR A 32 2.257 -10.432 -6.885 1.00 50.00 O ATOM 492 CG2 THR A 32 3.239 -9.545 -4.870 1.00 50.00 C ATOM 0 H THR A 32 0.043 -9.353 -5.861 1.00 10.00 H new ATOM 0 HA THR A 32 2.107 -7.246 -5.811 1.00 10.00 H new ATOM 0 HB THR A 32 3.636 -8.883 -6.864 1.00 50.00 H new ATOM 0 HG1 THR A 32 2.947 -11.128 -6.889 1.00 50.00 H new ATOM 0 HG21 THR A 32 4.003 -10.322 -4.893 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.653 -8.643 -4.418 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.389 -9.889 -4.281 1.00 50.00 H new ATOM 500 N LYS A 33 0.206 -8.410 -8.170 1.00 10.00 N ATOM 501 CA LYS A 33 -0.262 -8.214 -9.537 1.00 50.00 C ATOM 502 C LYS A 33 -1.617 -7.518 -9.562 1.00 50.00 C ATOM 503 O LYS A 33 -2.372 -7.576 -8.592 1.00 50.00 O ATOM 504 CB LYS A 33 -0.344 -9.553 -10.271 1.00 50.00 C ATOM 505 CG LYS A 33 1.001 -10.231 -10.496 1.00 50.00 C ATOM 506 CD LYS A 33 0.849 -11.506 -11.313 1.00 50.00 C ATOM 507 CE LYS A 33 2.194 -12.174 -11.556 1.00 75.00 C ATOM 508 NZ LYS A 33 2.064 -13.407 -12.376 1.00 75.00 N ATOM 0 H LYS A 33 -0.382 -9.026 -7.608 1.00 10.00 H new ATOM 0 HA LYS A 33 0.458 -7.574 -10.047 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -0.986 -10.226 -9.703 1.00 50.00 H new ATOM 0 HB3 LYS A 33 -0.824 -9.395 -11.237 1.00 50.00 H new ATOM 0 HG2 LYS A 33 1.675 -9.545 -11.010 1.00 50.00 H new ATOM 0 HG3 LYS A 33 1.458 -10.465 -9.534 1.00 50.00 H new ATOM 0 HD2 LYS A 33 0.187 -12.197 -10.791 1.00 50.00 H new ATOM 0 HD3 LYS A 33 0.379 -11.274 -12.268 1.00 50.00 H new ATOM 0 HE2 LYS A 33 2.861 -11.473 -12.058 1.00 75.00 H new ATOM 0 HE3 LYS A 33 2.654 -12.422 -10.599 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 3.003 -13.830 -12.518 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 1.448 -14.087 -11.886 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 1.649 -13.168 -13.299 1.00 75.00 H new ATOM 522 N VAL A 34 -1.919 -6.861 -10.676 1.00 50.00 N ATOM 523 CA VAL A 34 -3.203 -6.194 -10.848 1.00 50.00 C ATOM 524 C VAL A 34 -4.231 -7.129 -11.472 1.00 50.00 C ATOM 525 O VAL A 34 -4.008 -7.680 -12.551 1.00 50.00 O ATOM 526 CB VAL A 34 -3.072 -4.933 -11.723 1.00 50.00 C ATOM 527 CG1 VAL A 34 -4.441 -4.317 -11.977 1.00 50.00 C ATOM 528 CG2 VAL A 34 -2.148 -3.922 -11.065 1.00 50.00 C ATOM 0 H VAL A 34 -1.290 -6.776 -11.475 1.00 50.00 H new ATOM 0 HA VAL A 34 -3.540 -5.901 -9.854 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.640 -5.222 -12.681 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -4.330 -3.427 -12.597 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -5.076 -5.040 -12.490 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.899 -4.043 -11.026 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -2.067 -3.038 -11.697 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.552 -3.638 -10.093 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -1.161 -4.364 -10.932 1.00 50.00 H new ATOM 538 N ASP A 35 -5.357 -7.304 -10.789 1.00 50.00 N ATOM 539 CA ASP A 35 -6.440 -8.138 -11.297 1.00 50.00 C ATOM 540 C ASP A 35 -7.748 -7.841 -10.573 1.00 50.00 C ATOM 541 O ASP A 35 -7.794 -7.005 -9.672 1.00 50.00 O ATOM 542 CB ASP A 35 -6.087 -9.621 -11.158 1.00 50.00 C ATOM 543 CG ASP A 35 -6.734 -10.521 -12.202 1.00 50.00 C ATOM 544 OD1 ASP A 35 -7.547 -10.037 -12.954 1.00 50.00 O ATOM 545 OD2 ASP A 35 -6.301 -11.640 -12.343 1.00 50.00 O ATOM 0 H ASP A 35 -5.544 -6.879 -9.881 1.00 50.00 H new ATOM 0 HA ASP A 35 -6.573 -7.905 -12.353 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -5.004 -9.732 -11.221 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -6.385 -9.962 -10.167 1.00 50.00 H new ATOM 550 N ASP A 36 -8.809 -8.533 -10.974 1.00 50.00 N ATOM 551 CA ASP A 36 -10.148 -8.233 -10.483 1.00 50.00 C ATOM 552 C ASP A 36 -10.252 -8.475 -8.983 1.00 50.00 C ATOM 553 O ASP A 36 -10.919 -7.727 -8.269 1.00 50.00 O ATOM 554 CB ASP A 36 -11.192 -9.073 -11.224 1.00 50.00 C ATOM 555 CG ASP A 36 -11.455 -8.630 -12.657 1.00 50.00 C ATOM 556 OD1 ASP A 36 -11.028 -7.557 -13.014 1.00 50.00 O ATOM 557 OD2 ASP A 36 -11.939 -9.427 -13.425 1.00 50.00 O ATOM 0 H ASP A 36 -8.767 -9.306 -11.638 1.00 50.00 H new ATOM 0 HA ASP A 36 -10.343 -7.177 -10.673 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.864 -10.113 -11.232 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -12.129 -9.039 -10.668 1.00 50.00 H new ATOM 562 N SER A 37 -9.589 -9.525 -8.510 1.00 50.00 N ATOM 563 CA SER A 37 -9.748 -9.975 -7.134 1.00 50.00 C ATOM 564 C SER A 37 -9.064 -9.024 -6.159 1.00 50.00 C ATOM 565 O SER A 37 -9.353 -9.031 -4.962 1.00 50.00 O ATOM 566 CB SER A 37 -9.197 -11.379 -6.976 1.00 50.00 C ATOM 567 OG SER A 37 -7.801 -11.411 -7.084 1.00 50.00 O ATOM 0 H SER A 37 -8.935 -10.081 -9.062 1.00 50.00 H new ATOM 0 HA SER A 37 -10.813 -9.983 -6.902 1.00 50.00 H new ATOM 0 HB2 SER A 37 -9.495 -11.778 -6.006 1.00 50.00 H new ATOM 0 HB3 SER A 37 -9.634 -12.027 -7.735 1.00 50.00 H new ATOM 0 HG SER A 37 -7.487 -10.588 -7.514 1.00 50.00 H new ATOM 573 N GLN A 38 -8.154 -8.207 -6.679 1.00 50.00 N ATOM 574 CA GLN A 38 -7.507 -7.174 -5.878 1.00 50.00 C ATOM 575 C GLN A 38 -8.387 -5.936 -5.761 1.00 50.00 C ATOM 576 O GLN A 38 -9.065 -5.552 -6.714 1.00 50.00 O ATOM 577 CB GLN A 38 -6.156 -6.790 -6.489 1.00 50.00 C ATOM 578 CG GLN A 38 -5.146 -7.925 -6.529 1.00 50.00 C ATOM 579 CD GLN A 38 -5.378 -8.866 -7.695 1.00 50.00 C ATOM 580 OE1 GLN A 38 -6.520 -9.162 -8.055 1.00 75.00 O ATOM 581 NE2 GLN A 38 -4.292 -9.347 -8.291 1.00 50.00 N ATOM 0 H GLN A 38 -7.848 -8.240 -7.651 1.00 50.00 H new ATOM 0 HA GLN A 38 -7.347 -7.581 -4.879 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.319 -6.427 -7.504 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -5.734 -5.963 -5.919 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -4.140 -7.510 -6.595 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -5.198 -8.487 -5.596 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.366 -9.075 -7.960 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -4.384 -9.988 -9.079 1.00 50.00 H new ATOM 590 N PRO A 39 -8.372 -5.315 -4.586 1.00 50.00 N ATOM 591 CA PRO A 39 -9.034 -4.032 -4.389 1.00 50.00 C ATOM 592 C PRO A 39 -8.631 -3.032 -5.465 1.00 50.00 C ATOM 593 O PRO A 39 -7.455 -2.921 -5.811 1.00 50.00 O ATOM 594 CB PRO A 39 -8.585 -3.590 -2.993 1.00 50.00 C ATOM 595 CG PRO A 39 -8.236 -4.859 -2.295 1.00 50.00 C ATOM 596 CD PRO A 39 -7.659 -5.754 -3.359 1.00 50.00 C ATOM 0 HA PRO A 39 -10.119 -4.101 -4.464 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -7.729 -2.917 -3.046 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.379 -3.055 -2.471 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.515 -4.683 -1.496 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.116 -5.310 -1.837 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -6.580 -5.628 -3.452 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -7.839 -6.807 -3.142 1.00 50.00 H new ATOM 604 N ALA A 40 -9.612 -2.307 -5.990 1.00 50.00 N ATOM 605 CA ALA A 40 -9.347 -1.222 -6.926 1.00 50.00 C ATOM 606 C ALA A 40 -8.250 -0.302 -6.408 1.00 50.00 C ATOM 607 O ALA A 40 -7.358 0.100 -7.156 1.00 50.00 O ATOM 608 CB ALA A 40 -10.619 -0.432 -7.198 1.00 50.00 C ATOM 0 H ALA A 40 -10.600 -2.452 -5.782 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.001 -1.663 -7.861 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.404 0.375 -7.899 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.373 -1.093 -7.626 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -10.993 -0.011 -6.264 1.00 50.00 H new ATOM 614 N PHE A 41 -8.317 0.024 -5.121 1.00 50.00 N ATOM 615 CA PHE A 41 -7.275 0.813 -4.476 1.00 50.00 C ATOM 616 C PHE A 41 -5.915 0.139 -4.604 1.00 50.00 C ATOM 617 O PHE A 41 -4.925 0.779 -4.960 1.00 50.00 O ATOM 618 CB PHE A 41 -7.613 1.039 -3.001 1.00 50.00 C ATOM 619 CG PHE A 41 -8.703 2.048 -2.776 1.00 50.00 C ATOM 620 CD1 PHE A 41 -9.299 2.695 -3.847 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.132 2.353 -1.494 1.00 75.00 C ATOM 622 CE1 PHE A 41 -10.301 3.624 -3.642 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.134 3.281 -1.285 1.00 75.00 C ATOM 624 CZ PHE A 41 -10.718 3.918 -2.362 1.00 75.00 C ATOM 0 H PHE A 41 -9.083 -0.247 -4.504 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.225 1.778 -4.981 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -7.912 0.090 -2.557 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -6.714 1.366 -2.478 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -8.977 2.471 -4.853 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -8.677 1.859 -0.648 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -10.758 4.120 -4.486 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -10.460 3.508 -0.281 1.00 75.00 H new ATOM 0 HZ PHE A 41 -11.500 4.645 -2.201 1.00 75.00 H new ATOM 634 N ILE A 42 -5.872 -1.156 -4.313 1.00 50.00 N ATOM 635 CA ILE A 42 -4.652 -1.938 -4.474 1.00 50.00 C ATOM 636 C ILE A 42 -4.162 -1.904 -5.916 1.00 10.00 C ATOM 637 O ILE A 42 -2.958 -1.896 -6.172 1.00 50.00 O ATOM 638 CB ILE A 42 -4.858 -3.403 -4.046 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.015 -3.497 -2.526 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.699 -4.264 -4.520 1.00 50.00 C ATOM 641 CD1 ILE A 42 -3.784 -3.070 -1.757 1.00 50.00 C ATOM 0 H ILE A 42 -6.669 -1.687 -3.964 1.00 50.00 H new ATOM 0 HA ILE A 42 -3.901 -1.484 -3.828 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.772 -3.775 -4.510 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -5.857 -2.877 -2.218 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.261 -4.525 -2.258 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.861 -5.296 -4.209 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.633 -4.219 -5.607 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -2.770 -3.896 -4.085 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -3.972 -3.164 -0.688 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -2.943 -3.705 -2.035 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -3.549 -2.032 -1.994 1.00 50.00 H new ATOM 653 N ASN A 43 -5.102 -1.884 -6.855 1.00 10.00 N ATOM 654 CA ASN A 43 -4.768 -1.839 -8.273 1.00 10.00 C ATOM 655 C ASN A 43 -4.065 -0.536 -8.631 1.00 10.00 C ATOM 656 O ASN A 43 -3.013 -0.542 -9.271 1.00 50.00 O ATOM 657 CB ASN A 43 -5.998 -2.027 -9.139 1.00 50.00 C ATOM 658 CG ASN A 43 -6.554 -3.423 -9.108 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.856 -4.383 -8.760 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.782 -3.554 -9.545 1.00 50.00 N ATOM 0 H ASN A 43 -6.103 -1.898 -6.659 1.00 10.00 H new ATOM 0 HA ASN A 43 -4.085 -2.665 -8.470 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.771 -1.331 -8.813 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.749 -1.768 -10.168 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -8.204 -4.480 -9.610 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.316 -2.730 -9.820 1.00 50.00 H new ATOM 667 N ASP A 44 -4.652 0.581 -8.216 1.00 10.00 N ATOM 668 CA ASP A 44 -4.039 1.888 -8.414 1.00 10.00 C ATOM 669 C ASP A 44 -2.655 1.949 -7.779 1.00 10.00 C ATOM 670 O ASP A 44 -1.693 2.394 -8.407 1.00 50.00 O ATOM 671 CB ASP A 44 -4.930 2.992 -7.838 1.00 50.00 C ATOM 672 CG ASP A 44 -6.188 3.273 -8.650 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.274 2.799 -9.758 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.114 3.820 -8.101 1.00 50.00 O ATOM 0 H ASP A 44 -5.553 0.607 -7.739 1.00 10.00 H new ATOM 0 HA ASP A 44 -3.930 2.045 -9.487 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.221 2.716 -6.824 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.348 3.910 -7.764 1.00 50.00 H new ATOM 679 N ILE A 45 -2.562 1.499 -6.534 1.00 10.00 N ATOM 680 CA ILE A 45 -1.310 1.566 -5.787 1.00 10.00 C ATOM 681 C ILE A 45 -0.210 0.772 -6.481 1.00 10.00 C ATOM 682 O ILE A 45 0.920 1.241 -6.610 1.00 50.00 O ATOM 683 CB ILE A 45 -1.481 1.041 -4.350 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.387 1.975 -3.545 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.126 0.894 -3.673 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.856 1.388 -2.232 1.00 50.00 C ATOM 0 H ILE A 45 -3.338 1.083 -6.019 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.024 2.617 -5.748 1.00 10.00 H new ATOM 0 HB ILE A 45 -1.951 0.059 -4.393 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.852 2.903 -3.347 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.257 2.232 -4.149 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.265 0.522 -2.658 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.488 0.191 -4.236 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.371 1.864 -3.639 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.493 2.108 -1.719 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.420 0.475 -2.422 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -1.993 1.157 -1.608 1.00 50.00 H new ATOM 698 N LEU A 46 -0.551 -0.431 -6.928 1.00 10.00 N ATOM 699 CA LEU A 46 0.374 -1.248 -7.706 1.00 10.00 C ATOM 700 C LEU A 46 0.835 -0.515 -8.958 1.00 10.00 C ATOM 701 O LEU A 46 1.996 -0.619 -9.358 1.00 50.00 O ATOM 702 CB LEU A 46 -0.285 -2.582 -8.081 1.00 50.00 C ATOM 703 CG LEU A 46 -0.450 -3.575 -6.923 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.299 -4.760 -7.368 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.920 -4.041 -6.452 1.00 50.00 C ATOM 0 H LEU A 46 -1.461 -0.863 -6.765 1.00 10.00 H new ATOM 0 HA LEU A 46 1.251 -1.447 -7.091 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.268 -2.377 -8.506 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.308 -3.055 -8.863 1.00 50.00 H new ATOM 0 HG LEU A 46 -0.958 -3.084 -6.093 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.410 -5.459 -6.539 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.282 -4.407 -7.679 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.812 -5.263 -8.204 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.801 -4.746 -5.629 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.442 -4.529 -7.276 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.500 -3.182 -6.113 1.00 50.00 H new ATOM 717 N LYS A 47 -0.078 0.225 -9.576 1.00 10.00 N ATOM 718 CA LYS A 47 0.217 0.929 -10.818 1.00 10.00 C ATOM 719 C LYS A 47 1.085 2.154 -10.564 1.00 10.00 C ATOM 720 O LYS A 47 1.758 2.650 -11.467 1.00 50.00 O ATOM 721 CB LYS A 47 -1.077 1.339 -11.522 1.00 50.00 C ATOM 722 CG LYS A 47 -1.854 0.179 -12.134 1.00 50.00 C ATOM 723 CD LYS A 47 -3.172 0.650 -12.731 1.00 50.00 C ATOM 724 CE LYS A 47 -3.952 -0.508 -13.333 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.223 -0.057 -13.964 1.00 50.00 N ATOM 0 H LYS A 47 -1.031 0.353 -9.236 1.00 10.00 H new ATOM 0 HA LYS A 47 0.770 0.247 -11.464 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.719 1.853 -10.807 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.838 2.055 -12.308 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.251 -0.297 -12.908 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.047 -0.575 -11.371 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.771 1.132 -11.959 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.979 1.399 -13.499 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.336 -1.011 -14.078 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.173 -1.239 -12.555 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.723 -0.877 -14.362 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.823 0.401 -13.248 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -5.012 0.621 -14.724 1.00 50.00 H new ATOM 739 N VAL A 48 1.064 2.643 -9.327 1.00 10.00 N ATOM 740 CA VAL A 48 1.938 3.735 -8.920 1.00 10.00 C ATOM 741 C VAL A 48 3.405 3.344 -9.054 1.00 10.00 C ATOM 742 O VAL A 48 3.852 2.360 -8.467 1.00 50.00 O ATOM 743 CB VAL A 48 1.665 4.166 -7.466 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.714 5.164 -7.000 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.271 4.763 -7.342 1.00 50.00 C ATOM 0 H VAL A 48 0.450 2.298 -8.589 1.00 10.00 H new ATOM 0 HA VAL A 48 1.724 4.572 -9.584 1.00 10.00 H new ATOM 0 HB VAL A 48 1.722 3.284 -6.828 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.505 5.457 -5.971 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.701 4.706 -7.054 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.688 6.045 -7.641 1.00 50.00 H new ATOM 0 HG21 VAL A 48 0.094 5.062 -6.309 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.189 5.635 -7.991 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.470 4.020 -7.637 1.00 50.00 H new ATOM 755 N GLU A 49 4.149 4.124 -9.832 1.00 10.00 N ATOM 756 CA GLU A 49 5.560 3.845 -10.071 1.00 10.00 C ATOM 757 C GLU A 49 6.349 3.843 -8.767 1.00 10.00 C ATOM 758 O GLU A 49 6.320 4.815 -8.012 1.00 50.00 O ATOM 759 CB GLU A 49 6.151 4.867 -11.042 1.00 50.00 C ATOM 760 CG GLU A 49 7.597 4.595 -11.438 1.00 50.00 C ATOM 761 CD GLU A 49 8.094 5.616 -12.424 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.320 6.451 -12.827 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.273 5.632 -12.688 1.00 50.00 O ATOM 0 H GLU A 49 3.797 4.955 -10.308 1.00 10.00 H new ATOM 0 HA GLU A 49 5.633 2.852 -10.515 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.538 4.890 -11.943 1.00 50.00 H new ATOM 0 HB3 GLU A 49 6.091 5.857 -10.590 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.228 4.607 -10.549 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.676 3.598 -11.872 1.00 50.00 H new ATOM 770 N GLY A 50 7.053 2.748 -8.508 1.00 10.00 N ATOM 771 CA GLY A 50 7.925 2.654 -7.344 1.00 10.00 C ATOM 772 C GLY A 50 7.465 1.550 -6.400 1.00 10.00 C ATOM 773 O GLY A 50 8.259 1.007 -5.631 1.00 50.00 O ATOM 0 H GLY A 50 7.037 1.911 -9.090 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.947 2.458 -7.667 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.935 3.607 -6.816 1.00 10.00 H new ATOM 777 N VAL A 51 6.180 1.222 -6.462 1.00 10.00 N ATOM 778 CA VAL A 51 5.609 0.192 -5.603 1.00 10.00 C ATOM 779 C VAL A 51 6.017 -1.199 -6.067 1.00 10.00 C ATOM 780 O VAL A 51 5.810 -1.564 -7.224 1.00 50.00 O ATOM 781 CB VAL A 51 4.071 0.279 -5.561 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.494 -0.869 -4.746 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.627 1.614 -4.984 1.00 50.00 C ATOM 0 H VAL A 51 5.512 1.656 -7.100 1.00 10.00 H new ATOM 0 HA VAL A 51 6.000 0.366 -4.601 1.00 10.00 H new ATOM 0 HB VAL A 51 3.695 0.202 -6.581 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.407 -0.791 -4.727 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.782 -1.818 -5.199 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.879 -0.821 -3.727 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.538 1.657 -4.962 1.00 50.00 H new ATOM 0 HG22 VAL A 51 4.015 1.719 -3.971 1.00 50.00 H new ATOM 0 HG23 VAL A 51 4.010 2.424 -5.605 1.00 50.00 H new ATOM 793 N LYS A 52 6.598 -1.974 -5.157 1.00 10.00 N ATOM 794 CA LYS A 52 7.121 -3.293 -5.495 1.00 10.00 C ATOM 795 C LYS A 52 6.099 -4.383 -5.195 1.00 10.00 C ATOM 796 O LYS A 52 5.701 -5.137 -6.083 1.00 50.00 O ATOM 797 CB LYS A 52 8.420 -3.564 -4.736 1.00 50.00 C ATOM 798 CG LYS A 52 9.073 -4.901 -5.065 1.00 50.00 C ATOM 799 CD LYS A 52 10.374 -5.083 -4.299 1.00 50.00 C ATOM 800 CE LYS A 52 11.043 -6.405 -4.649 1.00 50.00 C ATOM 801 NZ LYS A 52 12.349 -6.570 -3.957 1.00 50.00 N ATOM 0 H LYS A 52 6.719 -1.711 -4.179 1.00 10.00 H new ATOM 0 HA LYS A 52 7.329 -3.307 -6.565 1.00 10.00 H new ATOM 0 HB2 LYS A 52 9.128 -2.764 -4.954 1.00 50.00 H new ATOM 0 HB3 LYS A 52 8.216 -3.526 -3.666 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.388 -5.713 -4.821 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.268 -4.960 -6.136 1.00 50.00 H new ATOM 0 HD2 LYS A 52 11.051 -4.259 -4.527 1.00 50.00 H new ATOM 0 HD3 LYS A 52 10.176 -5.046 -3.228 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.382 -7.228 -4.377 1.00 50.00 H new ATOM 0 HE3 LYS A 52 11.195 -6.460 -5.727 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.770 -7.483 -4.223 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.989 -5.799 -4.235 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 12.202 -6.544 -2.928 1.00 50.00 H new ATOM 815 N SER A 53 5.678 -4.461 -3.937 1.00 10.00 N ATOM 816 CA SER A 53 4.737 -5.488 -3.507 1.00 10.00 C ATOM 817 C SER A 53 3.883 -5.001 -2.344 1.00 10.00 C ATOM 818 O SER A 53 4.310 -4.153 -1.559 1.00 50.00 O ATOM 819 CB SER A 53 5.482 -6.751 -3.121 1.00 50.00 C ATOM 820 OG SER A 53 6.289 -6.563 -1.991 1.00 50.00 O ATOM 0 H SER A 53 5.974 -3.824 -3.197 1.00 10.00 H new ATOM 0 HA SER A 53 4.072 -5.709 -4.342 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.765 -7.549 -2.925 1.00 50.00 H new ATOM 0 HB3 SER A 53 6.100 -7.076 -3.957 1.00 50.00 H new ATOM 0 HG SER A 53 6.750 -7.401 -1.775 1.00 50.00 H new ATOM 826 N ILE A 54 2.672 -5.539 -2.237 1.00 10.00 N ATOM 827 CA ILE A 54 1.769 -5.183 -1.150 1.00 10.00 C ATOM 828 C ILE A 54 1.341 -6.415 -0.365 1.00 10.00 C ATOM 829 O ILE A 54 1.016 -7.451 -0.945 1.00 50.00 O ATOM 830 CB ILE A 54 0.515 -4.457 -1.674 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.912 -3.200 -2.453 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.413 -4.104 -0.524 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.223 -2.587 -3.241 1.00 50.00 C ATOM 0 H ILE A 54 2.294 -6.224 -2.891 1.00 10.00 H new ATOM 0 HA ILE A 54 2.318 -4.510 -0.491 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.017 -5.126 -2.350 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.299 -2.458 -1.755 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.724 -3.449 -3.137 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.294 -3.592 -0.911 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -0.720 -5.016 -0.011 1.00 50.00 H new ATOM 0 HG23 ILE A 54 0.108 -3.451 0.176 1.00 50.00 H new ATOM 0 HD11 ILE A 54 0.135 -1.701 -3.766 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.596 -3.311 -3.965 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.027 -2.306 -2.561 1.00 50.00 H new ATOM 845 N PHE A 55 1.342 -6.297 0.957 1.00 10.00 N ATOM 846 CA PHE A 55 0.811 -7.344 1.822 1.00 10.00 C ATOM 847 C PHE A 55 -0.325 -6.819 2.691 1.00 10.00 C ATOM 848 O PHE A 55 -0.188 -5.790 3.352 1.00 50.00 O ATOM 849 CB PHE A 55 1.921 -7.924 2.700 1.00 50.00 C ATOM 850 CG PHE A 55 1.443 -8.969 3.669 1.00 50.00 C ATOM 851 CD1 PHE A 55 1.063 -10.227 3.223 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.370 -8.695 5.026 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.623 -11.189 4.113 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.932 -9.655 5.918 1.00 50.00 C ATOM 855 CZ PHE A 55 0.558 -10.903 5.461 1.00 50.00 C ATOM 0 H PHE A 55 1.706 -5.484 1.455 1.00 10.00 H new ATOM 0 HA PHE A 55 0.413 -8.134 1.185 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.688 -8.359 2.060 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.392 -7.114 3.257 1.00 50.00 H new ATOM 0 HD1 PHE A 55 1.112 -10.457 2.169 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.659 -7.720 5.390 1.00 50.00 H new ATOM 0 HE1 PHE A 55 0.330 -12.164 3.753 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.882 -9.429 6.973 1.00 50.00 H new ATOM 0 HZ PHE A 55 0.215 -11.654 6.157 1.00 50.00 H new ATOM 865 N HIS A 56 -1.445 -7.531 2.685 1.00 10.00 N ATOM 866 CA HIS A 56 -2.600 -7.149 3.487 1.00 10.00 C ATOM 867 C HIS A 56 -2.809 -8.112 4.648 1.00 10.00 C ATOM 868 O HIS A 56 -2.650 -9.324 4.499 1.00 50.00 O ATOM 869 CB HIS A 56 -3.865 -7.091 2.622 1.00 50.00 C ATOM 870 CG HIS A 56 -5.109 -6.787 3.397 1.00 50.00 C ATOM 871 ND1 HIS A 56 -5.792 -7.747 4.115 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.796 -5.633 3.565 1.00 50.00 C ATOM 873 CE1 HIS A 56 -6.844 -7.194 4.693 1.00 50.00 C ATOM 874 NE2 HIS A 56 -6.870 -5.913 4.373 1.00 50.00 N ATOM 0 H HIS A 56 -1.578 -8.378 2.132 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.404 -6.157 3.895 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.733 -6.332 1.851 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -3.990 -8.046 2.111 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.546 -4.671 3.142 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -7.561 -7.703 5.320 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.574 -5.240 4.677 1.00 50.00 H new ATOM 882 N VAL A 57 -3.165 -7.567 5.807 1.00 10.00 N ATOM 883 CA VAL A 57 -3.511 -8.385 6.964 1.00 10.00 C ATOM 884 C VAL A 57 -4.281 -7.576 7.999 1.00 10.00 C ATOM 885 O VAL A 57 -4.058 -6.374 8.155 1.00 50.00 O ATOM 886 CB VAL A 57 -2.257 -8.985 7.627 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.421 -7.891 8.275 1.00 50.00 C ATOM 888 CG2 VAL A 57 -2.648 -10.034 8.656 1.00 50.00 C ATOM 0 H VAL A 57 -3.221 -6.562 5.970 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.141 -9.196 6.598 1.00 10.00 H new ATOM 0 HB VAL A 57 -1.657 -9.466 6.855 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -0.539 -8.333 8.738 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.110 -7.173 7.516 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.014 -7.382 9.035 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -1.749 -10.447 9.114 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.269 -9.575 9.425 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.206 -10.833 8.167 1.00 50.00 H new ATOM 898 N MET A 58 -5.190 -8.239 8.705 1.00 10.00 N ATOM 899 CA MET A 58 -6.117 -7.555 9.599 1.00 10.00 C ATOM 900 C MET A 58 -6.838 -6.422 8.882 1.00 10.00 C ATOM 901 O MET A 58 -7.363 -6.604 7.783 1.00 50.00 O ATOM 902 CB MET A 58 -5.372 -7.018 10.819 1.00 50.00 C ATOM 903 CG MET A 58 -4.625 -8.078 11.618 1.00 50.00 C ATOM 904 SD MET A 58 -5.714 -9.371 12.247 1.00 75.00 S ATOM 905 CE MET A 58 -6.664 -8.454 13.455 1.00 75.00 C ATOM 0 H MET A 58 -5.305 -9.252 8.675 1.00 10.00 H new ATOM 0 HA MET A 58 -6.865 -8.277 9.927 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.661 -6.260 10.490 1.00 50.00 H new ATOM 0 HB3 MET A 58 -6.086 -6.522 11.476 1.00 50.00 H new ATOM 0 HG2 MET A 58 -3.858 -8.529 10.988 1.00 50.00 H new ATOM 0 HG3 MET A 58 -4.112 -7.603 12.454 1.00 50.00 H new ATOM 0 HE1 MET A 58 -7.201 -9.150 14.100 1.00 75.00 H new ATOM 0 HE2 MET A 58 -5.992 -7.844 14.059 1.00 75.00 H new ATOM 0 HE3 MET A 58 -7.378 -7.809 12.943 1.00 75.00 H new ATOM 915 N ASP A 59 -6.862 -5.250 9.509 1.00 10.00 N ATOM 916 CA ASP A 59 -7.517 -4.084 8.930 1.00 10.00 C ATOM 917 C ASP A 59 -6.506 -2.995 8.593 1.00 10.00 C ATOM 918 O ASP A 59 -6.727 -1.820 8.882 1.00 50.00 O ATOM 919 CB ASP A 59 -8.580 -3.537 9.887 1.00 50.00 C ATOM 920 CG ASP A 59 -9.402 -2.387 9.321 1.00 50.00 C ATOM 921 OD1 ASP A 59 -9.823 -2.482 8.193 1.00 75.00 O ATOM 922 OD2 ASP A 59 -9.737 -1.499 10.068 1.00 50.00 O ATOM 0 H ASP A 59 -6.434 -5.083 10.420 1.00 10.00 H new ATOM 0 HA ASP A 59 -8.001 -4.398 8.005 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -9.254 -4.348 10.164 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -8.091 -3.202 10.802 1.00 50.00 H new ATOM 927 N PHE A 60 -5.399 -3.393 7.977 1.00 10.00 N ATOM 928 CA PHE A 60 -4.408 -2.442 7.492 1.00 10.00 C ATOM 929 C PHE A 60 -3.620 -3.014 6.322 1.00 10.00 C ATOM 930 O PHE A 60 -3.617 -4.226 6.095 1.00 50.00 O ATOM 931 CB PHE A 60 -3.455 -2.040 8.621 1.00 50.00 C ATOM 932 CG PHE A 60 -2.581 -3.162 9.105 1.00 50.00 C ATOM 933 CD1 PHE A 60 -1.356 -3.414 8.504 1.00 50.00 C ATOM 934 CD2 PHE A 60 -2.981 -3.969 10.158 1.00 50.00 C ATOM 935 CE1 PHE A 60 -0.551 -4.446 8.949 1.00 50.00 C ATOM 936 CE2 PHE A 60 -2.179 -5.001 10.605 1.00 50.00 C ATOM 937 CZ PHE A 60 -0.963 -5.239 9.999 1.00 50.00 C ATOM 0 H PHE A 60 -5.165 -4.370 7.802 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.939 -1.556 7.143 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.822 -1.222 8.276 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -4.039 -1.660 9.459 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -1.028 -2.798 7.680 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -3.933 -3.789 10.636 1.00 50.00 H new ATOM 0 HE1 PHE A 60 0.401 -4.631 8.474 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -2.504 -5.621 11.428 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.334 -6.046 10.347 1.00 50.00 H new ATOM 947 N ILE A 61 -2.950 -2.139 5.579 1.00 10.00 N ATOM 948 CA ILE A 61 -2.175 -2.554 4.416 1.00 10.00 C ATOM 949 C ILE A 61 -0.702 -2.203 4.583 1.00 10.00 C ATOM 950 O ILE A 61 -0.361 -1.098 5.009 1.00 50.00 O ATOM 951 CB ILE A 61 -2.704 -1.908 3.123 1.00 50.00 C ATOM 952 CG1 ILE A 61 -4.135 -2.370 2.843 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.794 -2.240 1.952 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.804 -1.632 1.704 1.00 50.00 C ATOM 0 H ILE A 61 -2.928 -1.136 5.763 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.281 -3.636 4.338 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.712 -0.826 3.254 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.125 -3.436 2.616 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.731 -2.242 3.746 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.183 -1.775 1.046 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.791 -1.862 2.152 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.754 -3.321 1.817 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.815 -2.015 1.566 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.848 -0.568 1.936 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.232 -1.781 0.788 1.00 50.00 H new ATOM 966 N SER A 62 0.169 -3.149 4.247 1.00 10.00 N ATOM 967 CA SER A 62 1.605 -2.902 4.248 1.00 10.00 C ATOM 968 C SER A 62 2.144 -2.774 2.828 1.00 10.00 C ATOM 969 O SER A 62 2.100 -3.727 2.050 1.00 50.00 O ATOM 970 CB SER A 62 2.326 -4.014 4.987 1.00 50.00 C ATOM 971 OG SER A 62 3.715 -3.844 4.969 1.00 50.00 O ATOM 0 H SER A 62 -0.096 -4.094 3.970 1.00 10.00 H new ATOM 0 HA SER A 62 1.786 -1.958 4.762 1.00 10.00 H new ATOM 0 HB2 SER A 62 1.979 -4.047 6.020 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.073 -4.973 4.535 1.00 50.00 H new ATOM 0 HG SER A 62 4.141 -4.580 5.456 1.00 50.00 H new ATOM 977 N VAL A 63 2.648 -1.592 2.496 1.00 10.00 N ATOM 978 CA VAL A 63 3.110 -1.307 1.143 1.00 10.00 C ATOM 979 C VAL A 63 4.630 -1.230 1.085 1.00 10.00 C ATOM 980 O VAL A 63 5.250 -0.455 1.812 1.00 50.00 O ATOM 981 CB VAL A 63 2.518 0.009 0.609 1.00 50.00 C ATOM 982 CG1 VAL A 63 3.065 0.315 -0.777 1.00 50.00 C ATOM 983 CG2 VAL A 63 0.999 -0.063 0.577 1.00 50.00 C ATOM 0 H VAL A 63 2.747 -0.813 3.147 1.00 10.00 H new ATOM 0 HA VAL A 63 2.767 -2.129 0.515 1.00 10.00 H new ATOM 0 HB VAL A 63 2.810 0.815 1.282 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.636 1.249 -1.139 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.150 0.409 -0.727 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.802 -0.494 -1.459 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.598 0.877 0.197 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.687 -0.880 -0.073 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.622 -0.237 1.585 1.00 50.00 H new ATOM 993 N ASP A 64 5.226 -2.039 0.215 1.00 10.00 N ATOM 994 CA ASP A 64 6.677 -2.108 0.103 1.00 10.00 C ATOM 995 C ASP A 64 7.147 -1.639 -1.268 1.00 10.00 C ATOM 996 O ASP A 64 6.707 -2.155 -2.295 1.00 50.00 O ATOM 997 CB ASP A 64 7.170 -3.532 0.366 1.00 50.00 C ATOM 998 CG ASP A 64 8.684 -3.692 0.338 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.354 -2.741 0.013 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.163 -4.705 0.786 1.00 50.00 O ATOM 0 H ASP A 64 4.725 -2.657 -0.423 1.00 10.00 H new ATOM 0 HA ASP A 64 7.099 -1.442 0.856 1.00 10.00 H new ATOM 0 HB2 ASP A 64 6.801 -3.857 1.339 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.733 -4.197 -0.379 1.00 50.00 H new ATOM 1005 N LYS A 65 8.041 -0.656 -1.277 1.00 10.00 N ATOM 1006 CA LYS A 65 8.519 -0.066 -2.521 1.00 10.00 C ATOM 1007 C LYS A 65 9.827 -0.706 -2.969 1.00 10.00 C ATOM 1008 O LYS A 65 10.360 -1.587 -2.293 1.00 50.00 O ATOM 1009 CB LYS A 65 8.701 1.444 -2.363 1.00 50.00 C ATOM 1010 CG LYS A 65 9.830 1.847 -1.423 1.00 50.00 C ATOM 1011 CD LYS A 65 10.069 3.349 -1.457 1.00 50.00 C ATOM 1012 CE LYS A 65 11.146 3.760 -0.464 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.488 3.250 -0.854 1.00 50.00 N ATOM 0 H LYS A 65 8.450 -0.251 -0.435 1.00 10.00 H new ATOM 0 HA LYS A 65 7.768 -0.254 -3.288 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.889 1.880 -3.344 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.769 1.874 -1.997 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.587 1.538 -0.406 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.744 1.325 -1.705 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.364 3.650 -2.462 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.141 3.872 -1.227 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.178 4.847 -0.393 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.889 3.384 0.526 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.216 3.938 -0.574 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.667 2.344 -0.377 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.521 3.111 -1.884 1.00 50.00 H new ATOM 1027 N GLU A 66 10.338 -0.259 -4.111 1.00 10.00 N ATOM 1028 CA GLU A 66 11.652 -0.684 -4.579 1.00 10.00 C ATOM 1029 C GLU A 66 12.760 0.135 -3.931 1.00 10.00 C ATOM 1030 O GLU A 66 12.517 1.227 -3.416 1.00 50.00 O ATOM 1031 CB GLU A 66 11.740 -0.573 -6.103 1.00 50.00 C ATOM 1032 CG GLU A 66 10.805 -1.508 -6.856 1.00 50.00 C ATOM 1033 CD GLU A 66 11.042 -1.443 -8.338 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.829 -0.627 -8.759 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.528 -2.279 -9.041 1.00 50.00 O ATOM 0 H GLU A 66 9.862 0.398 -4.730 1.00 10.00 H new ATOM 0 HA GLU A 66 11.786 -1.727 -4.291 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.519 0.454 -6.394 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.765 -0.778 -6.412 1.00 50.00 H new ATOM 0 HG2 GLU A 66 10.951 -2.530 -6.507 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.770 -1.242 -6.639 1.00 50.00 H new ATOM 1042 N ASN A 67 13.977 -0.397 -3.958 1.00 10.00 N ATOM 1043 CA ASN A 67 15.119 0.268 -3.343 1.00 10.00 C ATOM 1044 C ASN A 67 15.422 1.591 -4.033 1.00 10.00 C ATOM 1045 O ASN A 67 15.765 2.579 -3.381 1.00 50.00 O ATOM 1046 CB ASN A 67 16.349 -0.619 -3.347 1.00 50.00 C ATOM 1047 CG ASN A 67 16.276 -1.760 -2.369 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.501 -1.730 -1.407 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.136 -2.727 -2.565 1.00 50.00 N ATOM 0 H ASN A 67 14.198 -1.289 -4.400 1.00 10.00 H new ATOM 0 HA ASN A 67 14.851 0.471 -2.306 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.493 -1.021 -4.350 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.225 -0.012 -3.118 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.188 -3.504 -1.906 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.754 -2.703 -3.376 1.00 50.00 H new ATOM 1056 N ASP A 68 15.297 1.605 -5.355 1.00 10.00 N ATOM 1057 CA ASP A 68 15.512 2.820 -6.131 1.00 10.00 C ATOM 1058 C ASP A 68 14.401 3.833 -5.891 1.00 10.00 C ATOM 1059 O ASP A 68 14.653 5.033 -5.785 1.00 50.00 O ATOM 1060 CB ASP A 68 15.609 2.492 -7.624 1.00 50.00 C ATOM 1061 CG ASP A 68 16.904 1.802 -8.033 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.819 1.784 -7.246 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.914 1.164 -9.060 1.00 50.00 O ATOM 0 H ASP A 68 15.048 0.788 -5.912 1.00 10.00 H new ATOM 0 HA ASP A 68 16.453 3.262 -5.802 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.769 1.854 -7.899 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.508 3.416 -8.194 1.00 50.00 H new ATOM 1068 N ALA A 69 13.169 3.343 -5.804 1.00 10.00 N ATOM 1069 CA ALA A 69 12.011 4.209 -5.614 1.00 10.00 C ATOM 1070 C ALA A 69 12.106 4.977 -4.303 1.00 10.00 C ATOM 1071 O ALA A 69 12.820 4.572 -3.384 1.00 50.00 O ATOM 1072 CB ALA A 69 10.727 3.395 -5.663 1.00 50.00 C ATOM 0 H ALA A 69 12.946 2.349 -5.862 1.00 10.00 H new ATOM 0 HA ALA A 69 11.997 4.935 -6.427 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.872 4.055 -5.520 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.646 2.901 -6.631 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.742 2.644 -4.873 1.00 50.00 H new ATOM 1078 N ASN A 70 11.384 6.088 -4.219 1.00 10.00 N ATOM 1079 CA ASN A 70 11.314 6.867 -2.990 1.00 10.00 C ATOM 1080 C ASN A 70 9.870 7.081 -2.552 1.00 10.00 C ATOM 1081 O ASN A 70 8.955 7.069 -3.375 1.00 50.00 O ATOM 1082 CB ASN A 70 12.021 8.202 -3.137 1.00 50.00 C ATOM 1083 CG ASN A 70 13.492 8.081 -3.416 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.280 7.689 -2.548 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.879 8.493 -4.598 1.00 50.00 N ATOM 0 H ASN A 70 10.837 6.470 -4.991 1.00 10.00 H new ATOM 0 HA ASN A 70 11.827 6.293 -2.218 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.552 8.764 -3.945 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.880 8.780 -2.224 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.871 8.500 -4.836 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.189 8.807 -5.280 1.00 50.00 H new ATOM 1092 N TRP A 71 9.674 7.274 -1.253 1.00 10.00 N ATOM 1093 CA TRP A 71 8.346 7.537 -0.710 1.00 10.00 C ATOM 1094 C TRP A 71 7.869 8.937 -1.073 1.00 10.00 C ATOM 1095 O TRP A 71 6.672 9.222 -1.048 1.00 50.00 O ATOM 1096 CB TRP A 71 8.348 7.362 0.809 1.00 50.00 C ATOM 1097 CG TRP A 71 8.404 5.928 1.246 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.380 5.343 1.995 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.444 4.903 0.962 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.092 4.016 2.194 1.00 50.00 N ATOM 1101 CE2 TRP A 71 7.905 3.722 1.571 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.237 4.871 0.253 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.210 2.525 1.491 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.540 3.672 0.175 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.011 2.533 0.776 1.00 50.00 C ATOM 0 H TRP A 71 10.418 7.253 -0.556 1.00 10.00 H new ATOM 0 HA TRP A 71 7.656 6.817 -1.151 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.202 7.895 1.227 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.451 7.824 1.221 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.254 5.850 2.377 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.666 3.356 2.719 1.00 50.00 H new ATOM 0 HE3 TRP A 71 5.855 5.762 -0.224 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.580 1.626 1.961 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.608 3.636 -0.370 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.440 1.620 0.694 1.00 50.00 H new ATOM 1116 N GLU A 72 8.813 9.810 -1.411 1.00 10.00 N ATOM 1117 CA GLU A 72 8.485 11.161 -1.848 1.00 10.00 C ATOM 1118 C GLU A 72 7.473 11.142 -2.986 1.00 10.00 C ATOM 1119 O GLU A 72 6.559 11.967 -3.029 1.00 50.00 O ATOM 1120 CB GLU A 72 9.751 11.904 -2.282 1.00 50.00 C ATOM 1121 CG GLU A 72 9.517 13.344 -2.716 1.00 50.00 C ATOM 1122 CD GLU A 72 10.809 14.025 -3.073 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.838 13.403 -2.957 1.00 50.00 O ATOM 1124 OE2 GLU A 72 10.760 15.126 -3.567 1.00 75.00 O ATOM 0 H GLU A 72 9.812 9.605 -1.390 1.00 10.00 H new ATOM 0 HA GLU A 72 8.037 11.686 -1.004 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.463 11.897 -1.456 1.00 50.00 H new ATOM 0 HB3 GLU A 72 10.213 11.360 -3.106 1.00 50.00 H new ATOM 0 HG2 GLU A 72 8.845 13.363 -3.574 1.00 50.00 H new ATOM 0 HG3 GLU A 72 9.024 13.892 -1.913 1.00 50.00 H new ATOM 1131 N THR A 73 7.641 10.198 -3.906 1.00 10.00 N ATOM 1132 CA THR A 73 6.700 10.023 -5.005 1.00 10.00 C ATOM 1133 C THR A 73 5.557 9.095 -4.609 1.00 10.00 C ATOM 1134 O THR A 73 4.385 9.430 -4.780 1.00 50.00 O ATOM 1135 CB THR A 73 7.393 9.461 -6.259 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.397 10.382 -6.706 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.382 9.240 -7.374 1.00 50.00 C ATOM 0 H THR A 73 8.422 9.542 -3.912 1.00 10.00 H new ATOM 0 HA THR A 73 6.300 11.010 -5.235 1.00 10.00 H new ATOM 0 HB THR A 73 7.852 8.506 -6.004 1.00 50.00 H new ATOM 0 HG1 THR A 73 8.839 10.023 -7.503 1.00 50.00 H new ATOM 0 HG21 THR A 73 6.890 8.842 -8.252 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.623 8.531 -7.042 1.00 50.00 H new ATOM 0 HG23 THR A 73 5.907 10.188 -7.628 1.00 50.00 H new ATOM 1145 N VAL A 74 5.907 7.928 -4.080 1.00 10.00 N ATOM 1146 CA VAL A 74 4.944 6.848 -3.901 1.00 10.00 C ATOM 1147 C VAL A 74 3.902 7.210 -2.849 1.00 10.00 C ATOM 1148 O VAL A 74 2.702 7.038 -3.066 1.00 50.00 O ATOM 1149 CB VAL A 74 5.635 5.534 -3.494 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.602 4.480 -3.126 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.529 5.032 -4.617 1.00 50.00 C ATOM 0 H VAL A 74 6.852 7.706 -3.767 1.00 10.00 H new ATOM 0 HA VAL A 74 4.452 6.704 -4.863 1.00 10.00 H new ATOM 0 HB VAL A 74 6.256 5.729 -2.619 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.109 3.558 -2.841 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.000 4.837 -2.290 1.00 50.00 H new ATOM 0 HG13 VAL A 74 3.956 4.289 -3.983 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.009 4.102 -4.312 1.00 50.00 H new ATOM 0 HG22 VAL A 74 5.928 4.854 -5.509 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.292 5.779 -4.837 1.00 50.00 H new ATOM 1161 N LEU A 75 4.368 7.709 -1.710 1.00 10.00 N ATOM 1162 CA LEU A 75 3.540 7.783 -0.512 1.00 10.00 C ATOM 1163 C LEU A 75 2.310 8.650 -0.744 1.00 50.00 C ATOM 1164 O LEU A 75 1.183 8.223 -0.497 1.00 50.00 O ATOM 1165 CB LEU A 75 4.361 8.327 0.664 1.00 50.00 C ATOM 1166 CG LEU A 75 3.590 8.481 1.982 1.00 50.00 C ATOM 1167 CD1 LEU A 75 3.074 7.126 2.446 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.498 9.102 3.034 1.00 50.00 C ATOM 0 H LEU A 75 5.315 8.068 -1.591 1.00 10.00 H new ATOM 0 HA LEU A 75 3.199 6.776 -0.273 1.00 10.00 H new ATOM 0 HB2 LEU A 75 5.209 7.663 0.833 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.768 9.299 0.384 1.00 50.00 H new ATOM 0 HG LEU A 75 2.734 9.137 1.827 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.528 7.246 3.382 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.409 6.711 1.689 1.00 50.00 H new ATOM 0 HD13 LEU A 75 3.915 6.450 2.600 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.949 9.211 3.970 1.00 50.00 H new ATOM 0 HD22 LEU A 75 5.363 8.459 3.193 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.832 10.082 2.693 1.00 50.00 H new ATOM 1180 N PRO A 76 2.533 9.871 -1.221 1.00 50.00 N ATOM 1181 CA PRO A 76 1.448 10.821 -1.430 1.00 50.00 C ATOM 1182 C PRO A 76 0.450 10.299 -2.455 1.00 50.00 C ATOM 1183 O PRO A 76 -0.751 10.547 -2.347 1.00 50.00 O ATOM 1184 CB PRO A 76 2.153 12.093 -1.911 1.00 50.00 C ATOM 1185 CG PRO A 76 3.479 11.622 -2.401 1.00 50.00 C ATOM 1186 CD PRO A 76 3.870 10.499 -1.476 1.00 50.00 C ATOM 0 HA PRO A 76 0.861 10.997 -0.529 1.00 50.00 H new ATOM 0 HB2 PRO A 76 1.589 12.584 -2.704 1.00 50.00 H new ATOM 0 HB3 PRO A 76 2.262 12.816 -1.103 1.00 50.00 H new ATOM 0 HG2 PRO A 76 3.417 11.277 -3.433 1.00 50.00 H new ATOM 0 HG3 PRO A 76 4.215 12.426 -2.377 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.571 9.806 -1.940 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.339 10.861 -0.561 1.00 50.00 H new ATOM 1194 N LYS A 77 0.953 9.574 -3.449 1.00 50.00 N ATOM 1195 CA LYS A 77 0.099 8.965 -4.461 1.00 50.00 C ATOM 1196 C LYS A 77 -0.767 7.865 -3.860 1.00 50.00 C ATOM 1197 O LYS A 77 -1.958 7.765 -4.159 1.00 50.00 O ATOM 1198 CB LYS A 77 0.943 8.403 -5.606 1.00 50.00 C ATOM 1199 CG LYS A 77 1.565 9.461 -6.505 1.00 50.00 C ATOM 1200 CD LYS A 77 2.336 8.828 -7.654 1.00 50.00 C ATOM 1201 CE LYS A 77 2.916 9.885 -8.582 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.620 9.280 -9.745 1.00 50.00 N ATOM 0 H LYS A 77 1.949 9.394 -3.575 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.558 9.741 -4.854 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.738 7.787 -5.187 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.319 7.748 -6.214 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.783 10.109 -6.902 1.00 50.00 H new ATOM 0 HG3 LYS A 77 2.234 10.091 -5.919 1.00 50.00 H new ATOM 0 HD2 LYS A 77 3.141 8.209 -7.257 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.676 8.169 -8.218 1.00 50.00 H new ATOM 0 HE2 LYS A 77 2.115 10.532 -8.940 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.610 10.515 -8.025 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 4.000 10.034 -10.352 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.401 8.682 -9.406 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.952 8.700 -10.292 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.163 7.040 -3.012 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.900 6.010 -2.288 1.00 50.00 C ATOM 1218 C VAL A 78 -1.979 6.625 -1.405 1.00 50.00 C ATOM 1219 O VAL A 78 -3.114 6.151 -1.375 1.00 50.00 O ATOM 1220 CB VAL A 78 0.036 5.154 -1.415 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.771 4.237 -0.507 1.00 50.00 C ATOM 1222 CG2 VAL A 78 0.980 4.339 -2.285 1.00 50.00 C ATOM 0 H VAL A 78 0.836 7.064 -2.809 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.367 5.371 -3.038 1.00 50.00 H new ATOM 0 HB VAL A 78 0.630 5.823 -0.792 1.00 50.00 H new ATOM 0 HG11 VAL A 78 -0.093 3.640 0.102 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.409 4.837 0.142 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.390 3.577 -1.114 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.634 3.740 -1.651 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.401 3.681 -2.933 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.583 5.011 -2.896 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.618 7.683 -0.686 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.570 8.401 0.151 1.00 50.00 C ATOM 1234 C GLU A 79 -3.772 8.871 -0.659 1.00 50.00 C ATOM 1235 O GLU A 79 -4.915 8.762 -0.213 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.893 9.595 0.827 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.808 10.402 1.740 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.075 11.557 2.364 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.905 11.702 2.107 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.710 12.359 3.008 1.00 50.00 O ATOM 0 H GLU A 79 -0.671 8.062 -0.667 1.00 50.00 H new ATOM 0 HA GLU A 79 -2.925 7.713 0.918 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.045 9.235 1.409 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.494 10.255 0.057 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.659 10.774 1.169 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.207 9.756 2.522 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.507 9.395 -1.851 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.568 9.863 -2.735 1.00 50.00 C ATOM 1249 C ALA A 80 -5.572 8.754 -3.025 1.00 50.00 C ATOM 1250 O ALA A 80 -6.776 8.999 -3.101 1.00 50.00 O ATOM 1251 CB ALA A 80 -3.979 10.402 -4.030 1.00 50.00 C ATOM 0 H ALA A 80 -2.566 9.506 -2.227 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.098 10.670 -2.229 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -4.783 10.747 -4.679 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.310 11.233 -3.807 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.421 9.612 -4.532 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.069 7.535 -3.187 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.916 6.395 -3.519 1.00 50.00 C ATOM 1259 C VAL A 81 -7.032 6.222 -2.499 1.00 50.00 C ATOM 1260 O VAL A 81 -8.202 6.084 -2.860 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.101 5.091 -3.602 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -6.027 3.891 -3.727 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.132 5.140 -4.774 1.00 50.00 C ATOM 0 H VAL A 81 -4.078 7.311 -3.094 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.352 6.602 -4.496 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.524 4.987 -2.683 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.434 2.978 -3.784 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.682 3.844 -2.857 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.630 3.989 -4.630 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.565 4.210 -4.816 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.689 5.268 -5.702 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.446 5.977 -4.644 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.666 6.230 -1.222 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.622 5.980 -0.148 1.00 50.00 C ATOM 1275 C PHE A 82 -8.522 7.187 0.077 1.00 50.00 C ATOM 1276 O PHE A 82 -9.556 7.088 0.739 1.00 50.00 O ATOM 1277 CB PHE A 82 -6.890 5.620 1.144 1.00 50.00 C ATOM 1278 CG PHE A 82 -6.117 4.335 1.066 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -6.754 3.114 1.222 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.749 4.345 0.833 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -6.044 1.931 1.151 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -4.035 3.163 0.760 1.00 50.00 C ATOM 1283 CZ PHE A 82 -4.684 1.956 0.918 1.00 50.00 C ATOM 0 H PHE A 82 -5.713 6.407 -0.904 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.249 5.139 -0.445 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.206 6.429 1.401 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -7.616 5.548 1.954 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -7.819 3.087 1.401 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -4.236 5.287 0.707 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -6.553 0.987 1.278 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.970 3.185 0.579 1.00 50.00 H new ATOM 0 HZ PHE A 82 -4.128 1.032 0.859 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.125 8.328 -0.477 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.891 9.560 -0.327 1.00 50.00 C ATOM 1295 C GLU A 83 -10.306 9.398 -0.869 1.00 50.00 C ATOM 1296 O GLU A 83 -11.230 10.086 -0.434 1.00 50.00 O ATOM 1297 CB GLU A 83 -8.186 10.719 -1.036 1.00 50.00 C ATOM 1298 CG GLU A 83 -8.783 12.089 -0.747 1.00 50.00 C ATOM 1299 CD GLU A 83 -7.971 13.183 -1.384 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -7.004 12.875 -2.038 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -8.381 14.318 -1.312 1.00 75.00 O ATOM 0 H GLU A 83 -7.276 8.425 -1.034 1.00 50.00 H new ATOM 0 HA GLU A 83 -8.957 9.784 0.738 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.136 10.724 -0.742 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.215 10.543 -2.111 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -9.806 12.128 -1.120 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -8.830 12.248 0.330 1.00 50.00 H new