USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 686 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 32 THR OG1 : rot -81:sc= 0.729 USER MOD Set 1.2: A 61 TYR OH : rot 153:sc= 1.13 USER MOD Set 2.1: A 18 TYR OH : rot 30:sc= 0.562 USER MOD Set 2.2: A 43 TYR OH : rot -177:sc= 0.627 USER MOD Set 3.1: A 36 TYR OH : rot 180:sc= 0.452 USER MOD Set 3.2: A 41 GLN : amide:sc= 0.291 X(o=0.74,f=0.32) USER MOD Set 4.1: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 9 GLN : amide:sc= -0.805 K(o=-0.87,f=1.5) USER MOD Set 5.2: A 60 THR OG1 : rot -150:sc= -0.0636 USER MOD Set 6.1: A 4 GLN : amide:sc= 0.889 X(o=0.89,f=0.68) USER MOD Set 6.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00593 X(o=-0.0059,f=0) USER MOD Single : A 3 MET CE :methyl 175:sc=-0.00145 (180deg=-0.0544) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -77:sc= 1.21 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -113:sc= 1.2 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0715 USER MOD Single : A 31 GLN : amide:sc= -0.0764 X(o=-0.076,f=-0.076) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc=-0.00495 K(o=-0.0049,f=-0.93) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -166:sc= 0.788 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0026 USER MOD Single : A 45 ASN : amide:sc= -0.763 K(o=-0.76,f=-3.3!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0374 K(o=-0.037,f=-0.66) USER MOD Single : A 50 GLN : amide:sc= 0.328 K(o=0.33,f=-2.4!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.939 K(o=-0.94,f=-0.095) USER MOD Single : A 73 LYS NZ :NH3+ 150:sc= 0.153 (180deg=-0.796!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 79 SER OG : rot -70:sc= 0.167 USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0462) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= -0.0105 (180deg=-0.171) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -156:sc= 0.599 (180deg=0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.008 22.008 -12.317 1.00 0.00 N ATOM 2 CA GLY A 1 24.896 22.916 -12.035 1.00 0.00 C ATOM 3 C GLY A 1 23.702 22.150 -11.510 1.00 0.00 C ATOM 4 O GLY A 1 22.727 21.966 -12.235 1.00 0.00 O ATOM 0 H1 GLY A 1 26.818 22.552 -12.676 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.283 21.514 -11.444 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.715 21.311 -13.031 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.206 23.663 -11.304 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.620 23.454 -12.942 1.00 0.00 H new ATOM 8 N HIS A 2 23.752 21.717 -10.251 1.00 0.00 N ATOM 9 CA HIS A 2 22.606 21.205 -9.509 1.00 0.00 C ATOM 10 C HIS A 2 22.566 21.908 -8.151 1.00 0.00 C ATOM 11 O HIS A 2 23.559 22.515 -7.729 1.00 0.00 O ATOM 12 CB HIS A 2 22.711 19.684 -9.303 1.00 0.00 C ATOM 13 CG HIS A 2 22.964 18.851 -10.535 1.00 0.00 C ATOM 14 ND1 HIS A 2 23.825 17.778 -10.597 1.00 0.00 N ATOM 15 CD2 HIS A 2 22.334 18.951 -11.748 1.00 0.00 C ATOM 16 CE1 HIS A 2 23.733 17.248 -11.827 1.00 0.00 C ATOM 17 NE2 HIS A 2 22.827 17.919 -12.555 1.00 0.00 N ATOM 0 H HIS A 2 24.615 21.713 -9.707 1.00 0.00 H new ATOM 0 HA HIS A 2 21.694 21.401 -10.074 1.00 0.00 H new ATOM 0 HB2 HIS A 2 23.513 19.491 -8.591 1.00 0.00 H new ATOM 0 HB3 HIS A 2 21.786 19.338 -8.842 1.00 0.00 H new ATOM 0 HD2 HIS A 2 21.596 19.688 -12.029 1.00 0.00 H new ATOM 0 HE1 HIS A 2 24.306 16.403 -12.180 1.00 0.00 H new ATOM 0 HE2 HIS A 2 22.550 17.715 -13.515 1.00 0.00 H new ATOM 25 N MET A 3 21.451 21.768 -7.442 1.00 0.00 N ATOM 26 CA MET A 3 21.235 22.261 -6.092 1.00 0.00 C ATOM 27 C MET A 3 20.611 21.131 -5.268 1.00 0.00 C ATOM 28 O MET A 3 20.532 19.985 -5.726 1.00 0.00 O ATOM 29 CB MET A 3 20.388 23.550 -6.151 1.00 0.00 C ATOM 30 CG MET A 3 20.663 24.534 -5.005 1.00 0.00 C ATOM 31 SD MET A 3 22.396 25.042 -4.773 1.00 0.00 S ATOM 32 CE MET A 3 22.753 25.772 -6.398 1.00 0.00 C ATOM 0 H MET A 3 20.635 21.283 -7.814 1.00 0.00 H new ATOM 0 HA MET A 3 22.166 22.540 -5.598 1.00 0.00 H new ATOM 0 HB2 MET A 3 20.576 24.052 -7.100 1.00 0.00 H new ATOM 0 HB3 MET A 3 19.332 23.279 -6.138 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.064 25.429 -5.172 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.312 24.084 -4.076 1.00 0.00 H new ATOM 0 HE1 MET A 3 23.751 26.211 -6.388 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.705 24.997 -7.163 1.00 0.00 H new ATOM 0 HE3 MET A 3 22.018 26.546 -6.619 1.00 0.00 H new ATOM 42 N GLN A 4 20.212 21.430 -4.034 1.00 0.00 N ATOM 43 CA GLN A 4 19.791 20.452 -3.047 1.00 0.00 C ATOM 44 C GLN A 4 18.370 20.765 -2.600 1.00 0.00 C ATOM 45 O GLN A 4 18.105 21.878 -2.142 1.00 0.00 O ATOM 46 CB GLN A 4 20.809 20.392 -1.900 1.00 0.00 C ATOM 47 CG GLN A 4 21.100 21.719 -1.184 1.00 0.00 C ATOM 48 CD GLN A 4 20.548 21.729 0.237 1.00 0.00 C ATOM 49 OE1 GLN A 4 21.276 21.485 1.191 1.00 0.00 O ATOM 50 NE2 GLN A 4 19.279 22.052 0.412 1.00 0.00 N ATOM 0 H GLN A 4 20.173 22.389 -3.688 1.00 0.00 H new ATOM 0 HA GLN A 4 19.767 19.451 -3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 4 20.451 19.675 -1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 4 21.747 20.002 -2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 4 22.176 21.889 -1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 4 20.662 22.541 -1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 4 18.688 22.252 -0.395 1.00 0.00 H new ATOM 0 HE22 GLN A 4 18.891 22.101 1.354 1.00 0.00 H new ATOM 59 N GLU A 5 17.458 19.809 -2.759 1.00 0.00 N ATOM 60 CA GLU A 5 16.078 19.919 -2.289 1.00 0.00 C ATOM 61 C GLU A 5 15.929 19.372 -0.860 1.00 0.00 C ATOM 62 O GLU A 5 14.973 19.719 -0.172 1.00 0.00 O ATOM 63 CB GLU A 5 15.165 19.183 -3.285 1.00 0.00 C ATOM 64 CG GLU A 5 13.686 19.526 -3.075 1.00 0.00 C ATOM 65 CD GLU A 5 12.749 18.845 -4.076 1.00 0.00 C ATOM 66 OE1 GLU A 5 12.592 17.598 -4.029 1.00 0.00 O ATOM 67 OE2 GLU A 5 12.091 19.584 -4.843 1.00 0.00 O ATOM 0 H GLU A 5 17.659 18.924 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 5 15.785 20.968 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.456 19.443 -4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.306 18.107 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.395 19.238 -2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.559 20.606 -3.148 1.00 0.00 H new ATOM 74 N SER A 6 16.882 18.550 -0.394 1.00 0.00 N ATOM 75 CA SER A 6 16.855 17.901 0.920 1.00 0.00 C ATOM 76 C SER A 6 15.481 17.259 1.184 1.00 0.00 C ATOM 77 O SER A 6 14.797 17.563 2.163 1.00 0.00 O ATOM 78 CB SER A 6 17.299 18.907 1.993 1.00 0.00 C ATOM 79 OG SER A 6 18.552 19.476 1.642 1.00 0.00 O ATOM 0 H SER A 6 17.713 18.314 -0.937 1.00 0.00 H new ATOM 0 HA SER A 6 17.565 17.075 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.551 19.693 2.097 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.375 18.409 2.960 1.00 0.00 H new ATOM 0 HG SER A 6 18.825 20.117 2.331 1.00 0.00 H new ATOM 85 N TYR A 7 15.073 16.376 0.271 1.00 0.00 N ATOM 86 CA TYR A 7 13.747 15.766 0.206 1.00 0.00 C ATOM 87 C TYR A 7 13.882 14.259 0.008 1.00 0.00 C ATOM 88 O TYR A 7 15.006 13.762 -0.096 1.00 0.00 O ATOM 89 CB TYR A 7 12.960 16.403 -0.951 1.00 0.00 C ATOM 90 CG TYR A 7 11.665 17.051 -0.522 1.00 0.00 C ATOM 91 CD1 TYR A 7 11.660 18.396 -0.110 1.00 0.00 C ATOM 92 CD2 TYR A 7 10.464 16.317 -0.553 1.00 0.00 C ATOM 93 CE1 TYR A 7 10.450 19.022 0.227 1.00 0.00 C ATOM 94 CE2 TYR A 7 9.258 16.924 -0.168 1.00 0.00 C ATOM 95 CZ TYR A 7 9.251 18.282 0.216 1.00 0.00 C ATOM 96 OH TYR A 7 8.096 18.891 0.582 1.00 0.00 O ATOM 0 H TYR A 7 15.687 16.053 -0.477 1.00 0.00 H new ATOM 0 HA TYR A 7 13.209 15.939 1.138 1.00 0.00 H new ATOM 0 HB2 TYR A 7 13.587 17.151 -1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 7 12.743 15.637 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 7 12.587 18.947 -0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.470 15.286 -0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.438 20.068 0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.340 16.355 -0.166 1.00 0.00 H new ATOM 0 HH TYR A 7 7.356 18.252 0.522 1.00 0.00 H new ATOM 106 N SER A 8 12.750 13.555 -0.095 1.00 0.00 N ATOM 107 CA SER A 8 12.654 12.119 -0.310 1.00 0.00 C ATOM 108 C SER A 8 13.006 11.411 0.998 1.00 0.00 C ATOM 109 O SER A 8 14.174 11.193 1.312 1.00 0.00 O ATOM 110 CB SER A 8 13.489 11.667 -1.530 1.00 0.00 C ATOM 111 OG SER A 8 12.735 10.838 -2.395 1.00 0.00 O ATOM 0 H SER A 8 11.834 13.999 -0.026 1.00 0.00 H new ATOM 0 HA SER A 8 11.634 11.837 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.840 12.542 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.373 11.129 -1.188 1.00 0.00 H new ATOM 0 HG SER A 8 12.671 9.938 -2.012 1.00 0.00 H new ATOM 117 N GLN A 9 11.985 11.055 1.785 1.00 0.00 N ATOM 118 CA GLN A 9 12.182 10.218 2.964 1.00 0.00 C ATOM 119 C GLN A 9 12.789 8.854 2.596 1.00 0.00 C ATOM 120 O GLN A 9 13.443 8.230 3.438 1.00 0.00 O ATOM 121 CB GLN A 9 10.864 10.016 3.729 1.00 0.00 C ATOM 122 CG GLN A 9 10.390 11.293 4.444 1.00 0.00 C ATOM 123 CD GLN A 9 9.240 11.088 5.440 1.00 0.00 C ATOM 124 OE1 GLN A 9 8.588 12.031 5.869 1.00 0.00 O ATOM 125 NE2 GLN A 9 9.001 9.881 5.932 1.00 0.00 N ATOM 0 H GLN A 9 11.017 11.335 1.624 1.00 0.00 H new ATOM 0 HA GLN A 9 12.886 10.742 3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.092 9.686 3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.993 9.220 4.463 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.236 11.731 4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.075 12.017 3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.530 9.078 5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.288 9.755 6.651 1.00 0.00 H new ATOM 134 N TYR A 10 12.579 8.381 1.368 1.00 0.00 N ATOM 135 CA TYR A 10 13.120 7.146 0.814 1.00 0.00 C ATOM 136 C TYR A 10 13.544 7.384 -0.643 1.00 0.00 C ATOM 137 O TYR A 10 13.117 8.383 -1.243 1.00 0.00 O ATOM 138 CB TYR A 10 12.041 6.055 0.899 1.00 0.00 C ATOM 139 CG TYR A 10 11.872 5.500 2.296 1.00 0.00 C ATOM 140 CD1 TYR A 10 10.997 6.131 3.197 1.00 0.00 C ATOM 141 CD2 TYR A 10 12.627 4.386 2.708 1.00 0.00 C ATOM 142 CE1 TYR A 10 10.883 5.661 4.514 1.00 0.00 C ATOM 143 CE2 TYR A 10 12.548 3.930 4.036 1.00 0.00 C ATOM 144 CZ TYR A 10 11.680 4.577 4.944 1.00 0.00 C ATOM 145 OH TYR A 10 11.602 4.160 6.233 1.00 0.00 O ATOM 0 H TYR A 10 11.994 8.879 0.698 1.00 0.00 H new ATOM 0 HA TYR A 10 13.996 6.825 1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.090 6.465 0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 10 12.299 5.243 0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 10 10.411 6.979 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.269 3.880 2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.188 6.127 5.197 1.00 0.00 H new ATOM 0 HE2 TYR A 10 13.147 3.091 4.360 1.00 0.00 H new ATOM 0 HH TYR A 10 12.211 3.405 6.370 1.00 0.00 H new ATOM 155 N PRO A 11 14.343 6.468 -1.222 1.00 0.00 N ATOM 156 CA PRO A 11 14.506 6.334 -2.666 1.00 0.00 C ATOM 157 C PRO A 11 13.195 5.835 -3.296 1.00 0.00 C ATOM 158 O PRO A 11 12.183 5.690 -2.613 1.00 0.00 O ATOM 159 CB PRO A 11 15.648 5.324 -2.835 1.00 0.00 C ATOM 160 CG PRO A 11 15.439 4.397 -1.642 1.00 0.00 C ATOM 161 CD PRO A 11 15.043 5.378 -0.546 1.00 0.00 C ATOM 0 HA PRO A 11 14.738 7.276 -3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.581 4.789 -3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.625 5.806 -2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.659 3.659 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.345 3.846 -1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.401 4.900 0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.921 5.747 -0.015 1.00 0.00 H new ATOM 169 N VAL A 12 13.204 5.568 -4.601 1.00 0.00 N ATOM 170 CA VAL A 12 12.037 5.208 -5.392 1.00 0.00 C ATOM 171 C VAL A 12 12.250 3.777 -5.922 1.00 0.00 C ATOM 172 O VAL A 12 12.854 3.610 -6.989 1.00 0.00 O ATOM 173 CB VAL A 12 11.758 6.290 -6.456 1.00 0.00 C ATOM 174 CG1 VAL A 12 10.410 6.041 -7.139 1.00 0.00 C ATOM 175 CG2 VAL A 12 11.699 7.700 -5.836 1.00 0.00 C ATOM 0 H VAL A 12 14.060 5.599 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 12 11.121 5.184 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 12 12.577 6.233 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.232 6.815 -7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.423 5.065 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.615 6.066 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.501 8.433 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.903 7.738 -5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.652 7.928 -5.358 1.00 0.00 H new ATOM 185 N PRO A 13 11.892 2.737 -5.145 1.00 0.00 N ATOM 186 CA PRO A 13 12.080 1.326 -5.499 1.00 0.00 C ATOM 187 C PRO A 13 11.095 0.879 -6.580 1.00 0.00 C ATOM 188 O PRO A 13 10.180 1.621 -6.939 1.00 0.00 O ATOM 189 CB PRO A 13 11.824 0.562 -4.196 1.00 0.00 C ATOM 190 CG PRO A 13 10.718 1.410 -3.577 1.00 0.00 C ATOM 191 CD PRO A 13 11.182 2.824 -3.877 1.00 0.00 C ATOM 0 HA PRO A 13 13.075 1.145 -5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.505 -0.465 -4.375 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.711 0.515 -3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.746 1.198 -4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.622 1.233 -2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 13 10.337 3.509 -3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.833 3.200 -3.087 1.00 0.00 H new ATOM 199 N ASP A 14 11.244 -0.357 -7.055 1.00 0.00 N ATOM 200 CA ASP A 14 10.492 -0.945 -8.140 1.00 0.00 C ATOM 201 C ASP A 14 10.207 -2.419 -7.868 1.00 0.00 C ATOM 202 O ASP A 14 11.108 -3.192 -7.555 1.00 0.00 O ATOM 203 CB ASP A 14 11.280 -0.829 -9.444 1.00 0.00 C ATOM 204 CG ASP A 14 12.799 -0.676 -9.410 1.00 0.00 C ATOM 205 OD1 ASP A 14 13.484 -1.252 -8.532 1.00 0.00 O ATOM 206 OD2 ASP A 14 13.295 -0.007 -10.349 1.00 0.00 O ATOM 0 H ASP A 14 11.932 -1.002 -6.666 1.00 0.00 H new ATOM 0 HA ASP A 14 9.547 -0.408 -8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.057 -1.716 -10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.881 0.027 -9.988 1.00 0.00 H new ATOM 211 N VAL A 15 8.958 -2.853 -8.044 1.00 0.00 N ATOM 212 CA VAL A 15 8.572 -4.245 -7.823 1.00 0.00 C ATOM 213 C VAL A 15 9.270 -5.211 -8.792 1.00 0.00 C ATOM 214 O VAL A 15 9.476 -6.377 -8.439 1.00 0.00 O ATOM 215 CB VAL A 15 7.032 -4.372 -7.811 1.00 0.00 C ATOM 216 CG1 VAL A 15 6.366 -3.884 -9.106 1.00 0.00 C ATOM 217 CG2 VAL A 15 6.553 -5.794 -7.499 1.00 0.00 C ATOM 0 H VAL A 15 8.190 -2.252 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 15 8.925 -4.552 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 15 6.719 -3.712 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.285 -4.003 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.605 -2.832 -9.264 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.734 -4.470 -9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.463 -5.820 -7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.936 -6.481 -8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.918 -6.094 -6.517 1.00 0.00 H new ATOM 227 N SER A 16 9.680 -4.778 -9.993 1.00 0.00 N ATOM 228 CA SER A 16 10.369 -5.685 -10.914 1.00 0.00 C ATOM 229 C SER A 16 11.802 -6.039 -10.473 1.00 0.00 C ATOM 230 O SER A 16 12.453 -6.828 -11.165 1.00 0.00 O ATOM 231 CB SER A 16 10.269 -5.210 -12.366 1.00 0.00 C ATOM 232 OG SER A 16 10.893 -3.967 -12.597 1.00 0.00 O ATOM 0 H SER A 16 9.550 -3.828 -10.341 1.00 0.00 H new ATOM 0 HA SER A 16 9.834 -6.634 -10.869 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.719 -5.960 -13.017 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.218 -5.137 -12.644 1.00 0.00 H new ATOM 0 HG SER A 16 10.795 -3.722 -13.541 1.00 0.00 H new ATOM 238 N THR A 17 12.272 -5.522 -9.328 1.00 0.00 N ATOM 239 CA THR A 17 13.536 -5.899 -8.711 1.00 0.00 C ATOM 240 C THR A 17 13.328 -6.671 -7.391 1.00 0.00 C ATOM 241 O THR A 17 14.304 -7.029 -6.734 1.00 0.00 O ATOM 242 CB THR A 17 14.437 -4.656 -8.550 1.00 0.00 C ATOM 243 OG1 THR A 17 13.929 -3.766 -7.576 1.00 0.00 O ATOM 244 CG2 THR A 17 14.641 -3.895 -9.870 1.00 0.00 C ATOM 0 H THR A 17 11.765 -4.813 -8.798 1.00 0.00 H new ATOM 0 HA THR A 17 14.053 -6.595 -9.372 1.00 0.00 H new ATOM 0 HB THR A 17 15.404 -5.037 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.643 -2.935 -8.010 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.282 -3.031 -9.696 1.00 0.00 H new ATOM 0 HG22 THR A 17 15.110 -4.554 -10.601 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.676 -3.560 -10.250 1.00 0.00 H new ATOM 252 N TYR A 18 12.082 -6.942 -6.976 1.00 0.00 N ATOM 253 CA TYR A 18 11.751 -7.646 -5.728 1.00 0.00 C ATOM 254 C TYR A 18 12.147 -9.129 -5.785 1.00 0.00 C ATOM 255 O TYR A 18 12.520 -9.636 -6.845 1.00 0.00 O ATOM 256 CB TYR A 18 10.268 -7.400 -5.395 1.00 0.00 C ATOM 257 CG TYR A 18 9.914 -6.012 -4.894 1.00 0.00 C ATOM 258 CD1 TYR A 18 10.865 -4.980 -4.832 1.00 0.00 C ATOM 259 CD2 TYR A 18 8.609 -5.771 -4.438 1.00 0.00 C ATOM 260 CE1 TYR A 18 10.496 -3.699 -4.397 1.00 0.00 C ATOM 261 CE2 TYR A 18 8.222 -4.488 -4.013 1.00 0.00 C ATOM 262 CZ TYR A 18 9.173 -3.445 -3.987 1.00 0.00 C ATOM 263 OH TYR A 18 8.834 -2.212 -3.529 1.00 0.00 O ATOM 0 H TYR A 18 11.257 -6.671 -7.511 1.00 0.00 H new ATOM 0 HA TYR A 18 12.342 -7.244 -4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.678 -7.602 -6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 18 9.962 -8.125 -4.641 1.00 0.00 H new ATOM 0 HD1 TYR A 18 11.887 -5.174 -5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.894 -6.580 -4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 18 11.228 -2.905 -4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.203 -4.301 -3.708 1.00 0.00 H new ATOM 0 HH TYR A 18 9.396 -1.536 -3.962 1.00 0.00 H new ATOM 273 N GLN A 19 12.041 -9.846 -4.658 1.00 0.00 N ATOM 274 CA GLN A 19 12.357 -11.284 -4.534 1.00 0.00 C ATOM 275 C GLN A 19 11.157 -12.176 -4.178 1.00 0.00 C ATOM 276 O GLN A 19 10.678 -12.119 -3.047 1.00 0.00 O ATOM 277 CB GLN A 19 13.436 -11.466 -3.459 1.00 0.00 C ATOM 278 CG GLN A 19 14.820 -10.972 -3.872 1.00 0.00 C ATOM 279 CD GLN A 19 15.830 -12.105 -4.001 1.00 0.00 C ATOM 280 OE1 GLN A 19 15.824 -12.855 -4.977 1.00 0.00 O ATOM 281 NE2 GLN A 19 16.722 -12.236 -3.036 1.00 0.00 N ATOM 0 H GLN A 19 11.725 -9.434 -3.780 1.00 0.00 H new ATOM 0 HA GLN A 19 12.695 -11.603 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.128 -10.937 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 19 13.502 -12.523 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.745 -10.446 -4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.179 -10.251 -3.137 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.706 -11.602 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 19 17.427 -12.971 -3.089 1.00 0.00 H new ATOM 290 N TYR A 20 10.579 -12.887 -5.155 1.00 0.00 N ATOM 291 CA TYR A 20 9.381 -13.691 -4.946 1.00 0.00 C ATOM 292 C TYR A 20 9.633 -14.832 -3.958 1.00 0.00 C ATOM 293 O TYR A 20 10.724 -15.408 -3.957 1.00 0.00 O ATOM 294 CB TYR A 20 8.957 -14.238 -6.310 1.00 0.00 C ATOM 295 CG TYR A 20 7.652 -14.997 -6.309 1.00 0.00 C ATOM 296 CD1 TYR A 20 6.466 -14.316 -5.994 1.00 0.00 C ATOM 297 CD2 TYR A 20 7.614 -16.363 -6.643 1.00 0.00 C ATOM 298 CE1 TYR A 20 5.231 -14.972 -6.074 1.00 0.00 C ATOM 299 CE2 TYR A 20 6.380 -17.035 -6.705 1.00 0.00 C ATOM 300 CZ TYR A 20 5.182 -16.334 -6.441 1.00 0.00 C ATOM 301 OH TYR A 20 3.974 -16.949 -6.540 1.00 0.00 O ATOM 0 H TYR A 20 10.934 -12.917 -6.111 1.00 0.00 H new ATOM 0 HA TYR A 20 8.592 -13.077 -4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.877 -13.407 -7.010 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.743 -14.895 -6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.506 -13.281 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.531 -16.895 -6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.319 -14.437 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.348 -18.085 -6.954 1.00 0.00 H new ATOM 0 HH TYR A 20 4.104 -17.884 -6.802 1.00 0.00 H new ATOM 311 N ASP A 21 8.613 -15.217 -3.182 1.00 0.00 N ATOM 312 CA ASP A 21 8.696 -16.342 -2.240 1.00 0.00 C ATOM 313 C ASP A 21 7.586 -17.338 -2.530 1.00 0.00 C ATOM 314 O ASP A 21 6.512 -17.288 -1.932 1.00 0.00 O ATOM 315 CB ASP A 21 8.670 -15.895 -0.764 1.00 0.00 C ATOM 316 CG ASP A 21 9.533 -16.772 0.151 1.00 0.00 C ATOM 317 OD1 ASP A 21 10.185 -17.730 -0.327 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.549 -16.509 1.374 1.00 0.00 O ATOM 0 H ASP A 21 7.703 -14.756 -3.189 1.00 0.00 H new ATOM 0 HA ASP A 21 9.663 -16.823 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.015 -14.863 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.641 -15.910 -0.405 1.00 0.00 H new ATOM 323 N GLU A 22 7.815 -18.240 -3.477 1.00 0.00 N ATOM 324 CA GLU A 22 6.807 -19.166 -3.995 1.00 0.00 C ATOM 325 C GLU A 22 6.190 -20.106 -2.954 1.00 0.00 C ATOM 326 O GLU A 22 5.116 -20.656 -3.186 1.00 0.00 O ATOM 327 CB GLU A 22 7.391 -20.013 -5.119 1.00 0.00 C ATOM 328 CG GLU A 22 8.771 -20.632 -4.938 1.00 0.00 C ATOM 329 CD GLU A 22 8.689 -22.158 -4.935 1.00 0.00 C ATOM 330 OE1 GLU A 22 8.187 -22.750 -5.917 1.00 0.00 O ATOM 331 OE2 GLU A 22 9.057 -22.788 -3.917 1.00 0.00 O ATOM 0 H GLU A 22 8.728 -18.353 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 22 6.003 -18.521 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.690 -20.824 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.424 -19.393 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.430 -20.301 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.209 -20.286 -4.002 1.00 0.00 H new ATOM 338 N THR A 23 6.849 -20.300 -1.816 1.00 0.00 N ATOM 339 CA THR A 23 6.242 -20.927 -0.643 1.00 0.00 C ATOM 340 C THR A 23 4.887 -20.276 -0.332 1.00 0.00 C ATOM 341 O THR A 23 3.914 -21.012 -0.134 1.00 0.00 O ATOM 342 CB THR A 23 7.219 -20.946 0.552 1.00 0.00 C ATOM 343 OG1 THR A 23 6.618 -21.496 1.708 1.00 0.00 O ATOM 344 CG2 THR A 23 7.774 -19.566 0.893 1.00 0.00 C ATOM 0 H THR A 23 7.822 -20.027 -1.679 1.00 0.00 H new ATOM 0 HA THR A 23 6.036 -21.975 -0.860 1.00 0.00 H new ATOM 0 HB THR A 23 8.049 -21.577 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.264 -21.494 2.445 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.454 -19.647 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.312 -19.168 0.033 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.953 -18.897 1.149 1.00 0.00 H new ATOM 352 N SER A 24 4.793 -18.937 -0.318 1.00 0.00 N ATOM 353 CA SER A 24 3.577 -18.271 0.148 1.00 0.00 C ATOM 354 C SER A 24 3.040 -17.200 -0.810 1.00 0.00 C ATOM 355 O SER A 24 1.899 -16.767 -0.635 1.00 0.00 O ATOM 356 CB SER A 24 3.809 -17.781 1.579 1.00 0.00 C ATOM 357 OG SER A 24 3.932 -18.899 2.448 1.00 0.00 O ATOM 0 H SER A 24 5.535 -18.306 -0.620 1.00 0.00 H new ATOM 0 HA SER A 24 2.763 -18.995 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.711 -17.171 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.980 -17.149 1.897 1.00 0.00 H new ATOM 0 HG SER A 24 4.082 -18.586 3.364 1.00 0.00 H new ATOM 363 N GLY A 25 3.777 -16.846 -1.868 1.00 0.00 N ATOM 364 CA GLY A 25 3.208 -16.266 -3.081 1.00 0.00 C ATOM 365 C GLY A 25 3.272 -14.742 -3.136 1.00 0.00 C ATOM 366 O GLY A 25 2.563 -14.133 -3.936 1.00 0.00 O ATOM 0 H GLY A 25 4.790 -16.956 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.734 -16.672 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.167 -16.578 -3.166 1.00 0.00 H new ATOM 370 N TYR A 26 4.069 -14.112 -2.274 1.00 0.00 N ATOM 371 CA TYR A 26 4.175 -12.656 -2.177 1.00 0.00 C ATOM 372 C TYR A 26 5.550 -12.221 -2.687 1.00 0.00 C ATOM 373 O TYR A 26 6.412 -13.069 -2.937 1.00 0.00 O ATOM 374 CB TYR A 26 3.917 -12.220 -0.729 1.00 0.00 C ATOM 375 CG TYR A 26 2.444 -12.184 -0.356 1.00 0.00 C ATOM 376 CD1 TYR A 26 1.698 -13.377 -0.311 1.00 0.00 C ATOM 377 CD2 TYR A 26 1.798 -10.957 -0.111 1.00 0.00 C ATOM 378 CE1 TYR A 26 0.336 -13.364 0.021 1.00 0.00 C ATOM 379 CE2 TYR A 26 0.427 -10.929 0.203 1.00 0.00 C ATOM 380 CZ TYR A 26 -0.305 -12.134 0.279 1.00 0.00 C ATOM 381 OH TYR A 26 -1.621 -12.112 0.626 1.00 0.00 O ATOM 0 H TYR A 26 4.669 -14.606 -1.613 1.00 0.00 H new ATOM 0 HA TYR A 26 3.423 -12.169 -2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.437 -12.901 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.346 -11.230 -0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.182 -14.316 -0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.357 -10.034 -0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.219 -14.289 0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.066 -9.986 0.386 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.906 -11.185 0.769 1.00 0.00 H new ATOM 391 N TYR A 27 5.753 -10.909 -2.829 1.00 0.00 N ATOM 392 CA TYR A 27 6.959 -10.313 -3.391 1.00 0.00 C ATOM 393 C TYR A 27 7.687 -9.549 -2.285 1.00 0.00 C ATOM 394 O TYR A 27 7.087 -8.672 -1.667 1.00 0.00 O ATOM 395 CB TYR A 27 6.604 -9.399 -4.588 1.00 0.00 C ATOM 396 CG TYR A 27 6.267 -10.164 -5.869 1.00 0.00 C ATOM 397 CD1 TYR A 27 5.045 -10.854 -6.000 1.00 0.00 C ATOM 398 CD2 TYR A 27 7.218 -10.276 -6.902 1.00 0.00 C ATOM 399 CE1 TYR A 27 4.779 -11.635 -7.146 1.00 0.00 C ATOM 400 CE2 TYR A 27 7.025 -11.162 -7.969 1.00 0.00 C ATOM 401 CZ TYR A 27 5.786 -11.818 -8.125 1.00 0.00 C ATOM 402 OH TYR A 27 5.574 -12.578 -9.235 1.00 0.00 O ATOM 0 H TYR A 27 5.060 -10.215 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 27 7.621 -11.090 -3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.755 -8.773 -4.316 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.443 -8.731 -4.785 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.305 -10.785 -5.216 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.111 -9.669 -6.871 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.809 -12.092 -7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.824 -11.343 -8.672 1.00 0.00 H new ATOM 0 HH TYR A 27 6.383 -12.582 -9.788 1.00 0.00 H new ATOM 412 N TYR A 28 8.942 -9.883 -1.990 1.00 0.00 N ATOM 413 CA TYR A 28 9.735 -9.269 -0.919 1.00 0.00 C ATOM 414 C TYR A 28 10.531 -8.074 -1.452 1.00 0.00 C ATOM 415 O TYR A 28 11.102 -8.168 -2.537 1.00 0.00 O ATOM 416 CB TYR A 28 10.696 -10.319 -0.355 1.00 0.00 C ATOM 417 CG TYR A 28 11.585 -9.838 0.770 1.00 0.00 C ATOM 418 CD1 TYR A 28 11.025 -9.510 2.015 1.00 0.00 C ATOM 419 CD2 TYR A 28 12.976 -9.747 0.583 1.00 0.00 C ATOM 420 CE1 TYR A 28 11.857 -9.175 3.094 1.00 0.00 C ATOM 421 CE2 TYR A 28 13.815 -9.387 1.649 1.00 0.00 C ATOM 422 CZ TYR A 28 13.255 -9.125 2.918 1.00 0.00 C ATOM 423 OH TYR A 28 14.054 -8.804 3.970 1.00 0.00 O ATOM 0 H TYR A 28 9.451 -10.605 -2.500 1.00 0.00 H new ATOM 0 HA TYR A 28 9.066 -8.912 -0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.113 -11.168 0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.327 -10.684 -1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.953 -9.516 2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 28 13.401 -9.956 -0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.426 -8.955 4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.882 -9.311 1.499 1.00 0.00 H new ATOM 0 HH TYR A 28 14.991 -8.814 3.684 1.00 0.00 H new ATOM 433 N ASP A 29 10.599 -6.974 -0.700 1.00 0.00 N ATOM 434 CA ASP A 29 11.320 -5.735 -1.034 1.00 0.00 C ATOM 435 C ASP A 29 12.685 -5.665 -0.350 1.00 0.00 C ATOM 436 O ASP A 29 12.767 -5.104 0.745 1.00 0.00 O ATOM 437 CB ASP A 29 10.543 -4.451 -0.710 1.00 0.00 C ATOM 438 CG ASP A 29 11.358 -3.188 -1.051 1.00 0.00 C ATOM 439 OD1 ASP A 29 12.256 -3.279 -1.924 1.00 0.00 O ATOM 440 OD2 ASP A 29 11.098 -2.118 -0.447 1.00 0.00 O ATOM 0 H ASP A 29 10.131 -6.916 0.204 1.00 0.00 H new ATOM 0 HA ASP A 29 11.446 -5.784 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.607 -4.442 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.283 -4.441 0.348 1.00 0.00 H new ATOM 445 N PRO A 30 13.766 -6.213 -0.919 1.00 0.00 N ATOM 446 CA PRO A 30 15.092 -6.134 -0.316 1.00 0.00 C ATOM 447 C PRO A 30 15.617 -4.704 -0.137 1.00 0.00 C ATOM 448 O PRO A 30 16.618 -4.514 0.561 1.00 0.00 O ATOM 449 CB PRO A 30 16.014 -6.923 -1.240 1.00 0.00 C ATOM 450 CG PRO A 30 15.306 -6.898 -2.592 1.00 0.00 C ATOM 451 CD PRO A 30 13.829 -6.836 -2.227 1.00 0.00 C ATOM 0 HA PRO A 30 15.050 -6.538 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 30 17.002 -6.467 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 30 16.155 -7.943 -0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.608 -6.035 -3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.536 -7.786 -3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.269 -6.257 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.390 -7.834 -2.206 1.00 0.00 H new ATOM 459 N GLN A 31 14.986 -3.687 -0.731 1.00 0.00 N ATOM 460 CA GLN A 31 15.377 -2.306 -0.478 1.00 0.00 C ATOM 461 C GLN A 31 15.134 -1.953 0.997 1.00 0.00 C ATOM 462 O GLN A 31 15.872 -1.136 1.544 1.00 0.00 O ATOM 463 CB GLN A 31 14.628 -1.326 -1.406 1.00 0.00 C ATOM 464 CG GLN A 31 15.467 -0.136 -1.898 1.00 0.00 C ATOM 465 CD GLN A 31 16.046 0.759 -0.803 1.00 0.00 C ATOM 466 OE1 GLN A 31 15.344 1.493 -0.109 1.00 0.00 O ATOM 467 NE2 GLN A 31 17.359 0.747 -0.646 1.00 0.00 N ATOM 0 H GLN A 31 14.210 -3.797 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 31 16.441 -2.209 -0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.261 -1.877 -2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.755 -0.943 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.289 -0.519 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.848 0.476 -2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.936 0.136 -1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.795 1.348 0.053 1.00 0.00 H new ATOM 476 N THR A 32 14.148 -2.572 1.655 1.00 0.00 N ATOM 477 CA THR A 32 13.753 -2.223 3.016 1.00 0.00 C ATOM 478 C THR A 32 13.569 -3.449 3.914 1.00 0.00 C ATOM 479 O THR A 32 14.031 -3.442 5.059 1.00 0.00 O ATOM 480 CB THR A 32 12.474 -1.377 2.967 1.00 0.00 C ATOM 481 OG1 THR A 32 11.455 -2.021 2.215 1.00 0.00 O ATOM 482 CG2 THR A 32 12.744 0.043 2.449 1.00 0.00 C ATOM 0 H THR A 32 13.601 -3.333 1.252 1.00 0.00 H new ATOM 0 HA THR A 32 14.562 -1.645 3.463 1.00 0.00 H new ATOM 0 HB THR A 32 12.115 -1.279 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.607 -1.866 1.259 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.811 0.607 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.456 0.541 3.107 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.156 -0.010 1.441 1.00 0.00 H new ATOM 490 N GLY A 33 12.940 -4.507 3.401 1.00 0.00 N ATOM 491 CA GLY A 33 12.665 -5.754 4.104 1.00 0.00 C ATOM 492 C GLY A 33 11.164 -5.981 4.322 1.00 0.00 C ATOM 493 O GLY A 33 10.760 -6.730 5.220 1.00 0.00 O ATOM 0 H GLY A 33 12.594 -4.515 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.077 -6.588 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.172 -5.744 5.069 1.00 0.00 H new ATOM 497 N LEU A 34 10.330 -5.290 3.543 1.00 0.00 N ATOM 498 CA LEU A 34 8.871 -5.359 3.557 1.00 0.00 C ATOM 499 C LEU A 34 8.401 -6.391 2.519 1.00 0.00 C ATOM 500 O LEU A 34 9.219 -6.924 1.770 1.00 0.00 O ATOM 501 CB LEU A 34 8.323 -3.955 3.232 1.00 0.00 C ATOM 502 CG LEU A 34 8.730 -2.868 4.261 1.00 0.00 C ATOM 503 CD1 LEU A 34 8.620 -1.455 3.669 1.00 0.00 C ATOM 504 CD2 LEU A 34 7.864 -2.972 5.518 1.00 0.00 C ATOM 0 H LEU A 34 10.676 -4.630 2.846 1.00 0.00 H new ATOM 0 HA LEU A 34 8.503 -5.672 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.676 -3.657 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.235 -4.003 3.180 1.00 0.00 H new ATOM 0 HG LEU A 34 9.773 -3.043 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.913 -0.722 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.277 -1.371 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.591 -1.268 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.162 -2.202 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.816 -2.833 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.995 -3.955 5.970 1.00 0.00 H new ATOM 516 N TYR A 35 7.095 -6.650 2.440 1.00 0.00 N ATOM 517 CA TYR A 35 6.472 -7.490 1.413 1.00 0.00 C ATOM 518 C TYR A 35 5.412 -6.700 0.641 1.00 0.00 C ATOM 519 O TYR A 35 4.987 -5.644 1.106 1.00 0.00 O ATOM 520 CB TYR A 35 5.848 -8.730 2.062 1.00 0.00 C ATOM 521 CG TYR A 35 6.858 -9.791 2.432 1.00 0.00 C ATOM 522 CD1 TYR A 35 7.537 -9.743 3.663 1.00 0.00 C ATOM 523 CD2 TYR A 35 7.118 -10.837 1.531 1.00 0.00 C ATOM 524 CE1 TYR A 35 8.468 -10.743 4.001 1.00 0.00 C ATOM 525 CE2 TYR A 35 8.032 -11.849 1.865 1.00 0.00 C ATOM 526 CZ TYR A 35 8.714 -11.810 3.104 1.00 0.00 C ATOM 527 OH TYR A 35 9.575 -12.813 3.438 1.00 0.00 O ATOM 0 H TYR A 35 6.422 -6.271 3.106 1.00 0.00 H new ATOM 0 HA TYR A 35 7.240 -7.808 0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.306 -8.427 2.958 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.117 -9.159 1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.343 -8.935 4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.612 -10.863 0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.994 -10.696 4.943 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.215 -12.659 1.175 1.00 0.00 H new ATOM 0 HH TYR A 35 9.622 -13.461 2.705 1.00 0.00 H new ATOM 537 N TYR A 36 4.980 -7.229 -0.504 1.00 0.00 N ATOM 538 CA TYR A 36 4.049 -6.674 -1.481 1.00 0.00 C ATOM 539 C TYR A 36 3.274 -7.830 -2.125 1.00 0.00 C ATOM 540 O TYR A 36 3.759 -8.970 -2.151 1.00 0.00 O ATOM 541 CB TYR A 36 4.875 -5.928 -2.546 1.00 0.00 C ATOM 542 CG TYR A 36 4.108 -5.342 -3.717 1.00 0.00 C ATOM 543 CD1 TYR A 36 3.534 -4.064 -3.604 1.00 0.00 C ATOM 544 CD2 TYR A 36 3.988 -6.061 -4.924 1.00 0.00 C ATOM 545 CE1 TYR A 36 2.868 -3.489 -4.699 1.00 0.00 C ATOM 546 CE2 TYR A 36 3.283 -5.507 -6.008 1.00 0.00 C ATOM 547 CZ TYR A 36 2.729 -4.216 -5.902 1.00 0.00 C ATOM 548 OH TYR A 36 2.062 -3.666 -6.950 1.00 0.00 O ATOM 0 H TYR A 36 5.308 -8.149 -0.797 1.00 0.00 H new ATOM 0 HA TYR A 36 3.343 -5.988 -1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 36 5.414 -5.119 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.623 -6.616 -2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 36 3.605 -3.522 -2.672 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.438 -7.038 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.462 -2.491 -4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.166 -6.071 -6.921 1.00 0.00 H new ATOM 0 HH TYR A 36 2.057 -4.295 -7.701 1.00 0.00 H new ATOM 558 N ASP A 37 2.118 -7.547 -2.729 1.00 0.00 N ATOM 559 CA ASP A 37 1.273 -8.528 -3.413 1.00 0.00 C ATOM 560 C ASP A 37 0.955 -7.966 -4.808 1.00 0.00 C ATOM 561 O ASP A 37 0.747 -6.763 -4.954 1.00 0.00 O ATOM 562 CB ASP A 37 -0.002 -8.686 -2.576 1.00 0.00 C ATOM 563 CG ASP A 37 -1.070 -9.665 -3.086 1.00 0.00 C ATOM 564 OD1 ASP A 37 -1.451 -9.596 -4.276 1.00 0.00 O ATOM 565 OD2 ASP A 37 -1.613 -10.426 -2.247 1.00 0.00 O ATOM 0 H ASP A 37 1.733 -6.603 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 37 1.754 -9.500 -3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.291 -9.000 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.465 -7.704 -2.480 1.00 0.00 H new ATOM 570 N PRO A 38 0.872 -8.796 -5.858 1.00 0.00 N ATOM 571 CA PRO A 38 0.577 -8.325 -7.207 1.00 0.00 C ATOM 572 C PRO A 38 -0.818 -7.694 -7.338 1.00 0.00 C ATOM 573 O PRO A 38 -0.961 -6.637 -7.967 1.00 0.00 O ATOM 574 CB PRO A 38 0.763 -9.549 -8.111 1.00 0.00 C ATOM 575 CG PRO A 38 0.615 -10.741 -7.164 1.00 0.00 C ATOM 576 CD PRO A 38 1.144 -10.221 -5.844 1.00 0.00 C ATOM 0 HA PRO A 38 1.245 -7.512 -7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.016 -9.575 -8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.740 -9.543 -8.594 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.424 -11.059 -7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.185 -11.602 -7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.650 -10.708 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.212 -10.417 -5.743 1.00 0.00 H new ATOM 584 N ASN A 39 -1.837 -8.307 -6.732 1.00 0.00 N ATOM 585 CA ASN A 39 -3.191 -7.801 -6.690 1.00 0.00 C ATOM 586 C ASN A 39 -3.275 -6.650 -5.699 1.00 0.00 C ATOM 587 O ASN A 39 -3.936 -5.650 -5.988 1.00 0.00 O ATOM 588 CB ASN A 39 -4.139 -8.915 -6.237 1.00 0.00 C ATOM 589 CG ASN A 39 -4.435 -9.950 -7.314 1.00 0.00 C ATOM 590 OD1 ASN A 39 -4.362 -9.672 -8.507 1.00 0.00 O ATOM 591 ND2 ASN A 39 -4.777 -11.160 -6.915 1.00 0.00 N ATOM 0 H ASN A 39 -1.729 -9.196 -6.245 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.475 -7.454 -7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.706 -9.418 -5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.077 -8.469 -5.908 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.986 -11.884 -7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.832 -11.372 -5.919 1.00 0.00 H new ATOM 598 N SER A 40 -2.639 -6.803 -4.533 1.00 0.00 N ATOM 599 CA SER A 40 -2.773 -5.883 -3.412 1.00 0.00 C ATOM 600 C SER A 40 -1.525 -5.011 -3.330 1.00 0.00 C ATOM 601 O SER A 40 -0.532 -5.384 -2.713 1.00 0.00 O ATOM 602 CB SER A 40 -3.060 -6.621 -2.089 1.00 0.00 C ATOM 603 OG SER A 40 -4.143 -7.529 -2.204 1.00 0.00 O ATOM 0 H SER A 40 -2.009 -7.583 -4.344 1.00 0.00 H new ATOM 0 HA SER A 40 -3.637 -5.241 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.167 -7.162 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.281 -5.892 -1.309 1.00 0.00 H new ATOM 0 HG SER A 40 -4.289 -7.975 -1.344 1.00 0.00 H new ATOM 609 N GLN A 41 -1.597 -3.797 -3.877 1.00 0.00 N ATOM 610 CA GLN A 41 -0.520 -2.821 -3.742 1.00 0.00 C ATOM 611 C GLN A 41 -0.239 -2.505 -2.260 1.00 0.00 C ATOM 612 O GLN A 41 0.805 -1.942 -1.942 1.00 0.00 O ATOM 613 CB GLN A 41 -0.829 -1.549 -4.541 1.00 0.00 C ATOM 614 CG GLN A 41 -0.600 -1.693 -6.047 1.00 0.00 C ATOM 615 CD GLN A 41 -1.468 -2.766 -6.690 1.00 0.00 C ATOM 616 OE1 GLN A 41 -2.675 -2.590 -6.836 1.00 0.00 O ATOM 617 NE2 GLN A 41 -0.889 -3.904 -7.024 1.00 0.00 N ATOM 0 H GLN A 41 -2.395 -3.467 -4.420 1.00 0.00 H new ATOM 0 HA GLN A 41 0.387 -3.259 -4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.867 -1.265 -4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.208 -0.736 -4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.799 -0.737 -6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.449 -1.929 -6.227 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.115 -4.023 -6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.446 -4.664 -7.414 1.00 0.00 H new ATOM 626 N TYR A 42 -1.153 -2.863 -1.352 1.00 0.00 N ATOM 627 CA TYR A 42 -0.980 -2.833 0.087 1.00 0.00 C ATOM 628 C TYR A 42 0.161 -3.774 0.490 1.00 0.00 C ATOM 629 O TYR A 42 0.019 -5.002 0.476 1.00 0.00 O ATOM 630 CB TYR A 42 -2.296 -3.199 0.788 1.00 0.00 C ATOM 631 CG TYR A 42 -3.498 -2.359 0.385 1.00 0.00 C ATOM 632 CD1 TYR A 42 -3.455 -0.960 0.516 1.00 0.00 C ATOM 633 CD2 TYR A 42 -4.665 -2.972 -0.109 1.00 0.00 C ATOM 634 CE1 TYR A 42 -4.573 -0.180 0.177 1.00 0.00 C ATOM 635 CE2 TYR A 42 -5.785 -2.197 -0.463 1.00 0.00 C ATOM 636 CZ TYR A 42 -5.744 -0.791 -0.327 1.00 0.00 C ATOM 637 OH TYR A 42 -6.829 -0.027 -0.648 1.00 0.00 O ATOM 0 H TYR A 42 -2.077 -3.197 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.712 -1.825 0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.519 -4.246 0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.153 -3.108 1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.557 -0.482 0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.701 -4.046 -0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.538 0.892 0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.676 -2.677 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.614 -0.603 -0.757 1.00 0.00 H new ATOM 647 N TYR A 43 1.300 -3.179 0.839 1.00 0.00 N ATOM 648 CA TYR A 43 2.469 -3.869 1.350 1.00 0.00 C ATOM 649 C TYR A 43 2.187 -4.446 2.735 1.00 0.00 C ATOM 650 O TYR A 43 1.246 -4.038 3.423 1.00 0.00 O ATOM 651 CB TYR A 43 3.647 -2.895 1.481 1.00 0.00 C ATOM 652 CG TYR A 43 4.317 -2.413 0.210 1.00 0.00 C ATOM 653 CD1 TYR A 43 3.639 -1.542 -0.659 1.00 0.00 C ATOM 654 CD2 TYR A 43 5.653 -2.768 -0.064 1.00 0.00 C ATOM 655 CE1 TYR A 43 4.250 -1.090 -1.837 1.00 0.00 C ATOM 656 CE2 TYR A 43 6.286 -2.288 -1.223 1.00 0.00 C ATOM 657 CZ TYR A 43 5.575 -1.467 -2.129 1.00 0.00 C ATOM 658 OH TYR A 43 6.143 -1.037 -3.285 1.00 0.00 O ATOM 0 H TYR A 43 1.433 -2.170 0.769 1.00 0.00 H new ATOM 0 HA TYR A 43 2.712 -4.669 0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.297 -2.019 2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.408 -3.372 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.638 -1.218 -0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.191 -3.410 0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.706 -0.454 -2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.316 -2.546 -1.422 1.00 0.00 H new ATOM 0 HH TYR A 43 7.043 -1.417 -3.369 1.00 0.00 H new ATOM 668 N TYR A 44 3.096 -5.299 3.197 1.00 0.00 N ATOM 669 CA TYR A 44 3.083 -5.909 4.508 1.00 0.00 C ATOM 670 C TYR A 44 4.386 -5.595 5.229 1.00 0.00 C ATOM 671 O TYR A 44 5.491 -5.882 4.762 1.00 0.00 O ATOM 672 CB TYR A 44 2.794 -7.397 4.375 1.00 0.00 C ATOM 673 CG TYR A 44 2.926 -8.161 5.668 1.00 0.00 C ATOM 674 CD1 TYR A 44 1.948 -8.009 6.667 1.00 0.00 C ATOM 675 CD2 TYR A 44 4.036 -8.998 5.881 1.00 0.00 C ATOM 676 CE1 TYR A 44 2.060 -8.714 7.874 1.00 0.00 C ATOM 677 CE2 TYR A 44 4.157 -9.703 7.086 1.00 0.00 C ATOM 678 CZ TYR A 44 3.163 -9.572 8.081 1.00 0.00 C ATOM 679 OH TYR A 44 3.263 -10.270 9.244 1.00 0.00 O ATOM 0 H TYR A 44 3.896 -5.593 2.636 1.00 0.00 H new ATOM 0 HA TYR A 44 2.284 -5.495 5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.783 -7.528 3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.475 -7.825 3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.109 -7.348 6.504 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.793 -9.097 5.118 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.308 -8.602 8.641 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.009 -10.345 7.254 1.00 0.00 H new ATOM 0 HH TYR A 44 4.078 -10.815 9.230 1.00 0.00 H new ATOM 689 N ASN A 45 4.220 -4.953 6.377 1.00 0.00 N ATOM 690 CA ASN A 45 5.222 -4.629 7.364 1.00 0.00 C ATOM 691 C ASN A 45 5.379 -5.809 8.305 1.00 0.00 C ATOM 692 O ASN A 45 4.714 -5.864 9.341 1.00 0.00 O ATOM 693 CB ASN A 45 4.792 -3.371 8.114 1.00 0.00 C ATOM 694 CG ASN A 45 5.751 -3.048 9.240 1.00 0.00 C ATOM 695 OD1 ASN A 45 6.949 -3.239 9.123 1.00 0.00 O ATOM 696 ND2 ASN A 45 5.236 -2.572 10.355 1.00 0.00 N ATOM 0 H ASN A 45 3.298 -4.620 6.659 1.00 0.00 H new ATOM 0 HA ASN A 45 6.185 -4.433 6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.744 -2.531 7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.789 -3.510 8.516 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.843 -2.355 11.145 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.230 -2.421 10.428 1.00 0.00 H new ATOM 703 N ALA A 46 6.262 -6.741 7.947 1.00 0.00 N ATOM 704 CA ALA A 46 6.604 -7.890 8.781 1.00 0.00 C ATOM 705 C ALA A 46 7.000 -7.467 10.198 1.00 0.00 C ATOM 706 O ALA A 46 6.632 -8.153 11.153 1.00 0.00 O ATOM 707 CB ALA A 46 7.733 -8.701 8.136 1.00 0.00 C ATOM 0 H ALA A 46 6.765 -6.718 7.060 1.00 0.00 H new ATOM 0 HA ALA A 46 5.714 -8.514 8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.976 -9.554 8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.412 -9.056 7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.615 -8.070 8.022 1.00 0.00 H new ATOM 713 N GLN A 47 7.690 -6.329 10.337 1.00 0.00 N ATOM 714 CA GLN A 47 8.190 -5.771 11.581 1.00 0.00 C ATOM 715 C GLN A 47 7.118 -5.751 12.679 1.00 0.00 C ATOM 716 O GLN A 47 7.316 -6.362 13.730 1.00 0.00 O ATOM 717 CB GLN A 47 8.739 -4.363 11.290 1.00 0.00 C ATOM 718 CG GLN A 47 10.049 -4.118 12.023 1.00 0.00 C ATOM 719 CD GLN A 47 10.460 -2.645 11.966 1.00 0.00 C ATOM 720 OE1 GLN A 47 9.732 -1.761 12.417 1.00 0.00 O ATOM 721 NE2 GLN A 47 11.613 -2.328 11.407 1.00 0.00 N ATOM 0 H GLN A 47 7.923 -5.746 9.533 1.00 0.00 H new ATOM 0 HA GLN A 47 8.989 -6.404 11.966 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.892 -4.245 10.217 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.006 -3.615 11.591 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.948 -4.428 13.063 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.834 -4.733 11.582 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.217 -3.060 11.033 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.900 -1.351 11.349 1.00 0.00 H new ATOM 730 N SER A 48 5.980 -5.098 12.418 1.00 0.00 N ATOM 731 CA SER A 48 4.845 -4.986 13.337 1.00 0.00 C ATOM 732 C SER A 48 3.631 -5.774 12.833 1.00 0.00 C ATOM 733 O SER A 48 2.508 -5.505 13.256 1.00 0.00 O ATOM 734 CB SER A 48 4.515 -3.502 13.596 1.00 0.00 C ATOM 735 OG SER A 48 4.852 -3.165 14.920 1.00 0.00 O ATOM 0 H SER A 48 5.820 -4.618 11.532 1.00 0.00 H new ATOM 0 HA SER A 48 5.124 -5.435 14.290 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.065 -2.870 12.899 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.454 -3.320 13.423 1.00 0.00 H new ATOM 0 HG SER A 48 4.643 -2.221 15.081 1.00 0.00 H new ATOM 741 N GLN A 49 3.831 -6.719 11.911 1.00 0.00 N ATOM 742 CA GLN A 49 2.787 -7.514 11.268 1.00 0.00 C ATOM 743 C GLN A 49 1.621 -6.649 10.743 1.00 0.00 C ATOM 744 O GLN A 49 0.460 -7.065 10.789 1.00 0.00 O ATOM 745 CB GLN A 49 2.349 -8.655 12.210 1.00 0.00 C ATOM 746 CG GLN A 49 3.503 -9.630 12.530 1.00 0.00 C ATOM 747 CD GLN A 49 3.203 -11.108 12.250 1.00 0.00 C ATOM 748 OE1 GLN A 49 2.064 -11.559 12.214 1.00 0.00 O ATOM 749 NE2 GLN A 49 4.227 -11.907 12.001 1.00 0.00 N ATOM 0 H GLN A 49 4.765 -6.960 11.580 1.00 0.00 H new ATOM 0 HA GLN A 49 3.197 -7.975 10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.968 -8.230 13.139 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.528 -9.206 11.751 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.377 -9.337 11.949 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.768 -9.522 13.582 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.178 -11.540 12.029 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.065 -12.890 11.781 1.00 0.00 H new ATOM 758 N GLN A 50 1.912 -5.430 10.279 1.00 0.00 N ATOM 759 CA GLN A 50 0.961 -4.409 9.853 1.00 0.00 C ATOM 760 C GLN A 50 0.938 -4.284 8.328 1.00 0.00 C ATOM 761 O GLN A 50 1.750 -4.918 7.657 1.00 0.00 O ATOM 762 CB GLN A 50 1.331 -3.094 10.570 1.00 0.00 C ATOM 763 CG GLN A 50 0.138 -2.440 11.284 1.00 0.00 C ATOM 764 CD GLN A 50 -0.647 -3.358 12.222 1.00 0.00 C ATOM 765 OE1 GLN A 50 -1.871 -3.281 12.307 1.00 0.00 O ATOM 766 NE2 GLN A 50 0.019 -4.245 12.944 1.00 0.00 N ATOM 0 H GLN A 50 2.878 -5.114 10.187 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.057 -4.681 10.131 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.118 -3.293 11.298 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.740 -2.393 9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.502 -1.588 11.858 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.545 -2.049 10.530 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.035 -4.304 12.869 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.483 -4.869 13.575 1.00 0.00 H new ATOM 775 N TYR A 51 0.039 -3.470 7.776 1.00 0.00 N ATOM 776 CA TYR A 51 -0.082 -3.255 6.335 1.00 0.00 C ATOM 777 C TYR A 51 0.282 -1.807 6.033 1.00 0.00 C ATOM 778 O TYR A 51 -0.011 -0.911 6.825 1.00 0.00 O ATOM 779 CB TYR A 51 -1.499 -3.576 5.842 1.00 0.00 C ATOM 780 CG TYR A 51 -1.775 -5.038 5.522 1.00 0.00 C ATOM 781 CD1 TYR A 51 -1.504 -6.045 6.468 1.00 0.00 C ATOM 782 CD2 TYR A 51 -2.341 -5.391 4.280 1.00 0.00 C ATOM 783 CE1 TYR A 51 -1.828 -7.382 6.199 1.00 0.00 C ATOM 784 CE2 TYR A 51 -2.673 -6.727 4.003 1.00 0.00 C ATOM 785 CZ TYR A 51 -2.446 -7.719 4.978 1.00 0.00 C ATOM 786 OH TYR A 51 -2.862 -8.994 4.766 1.00 0.00 O ATOM 0 H TYR A 51 -0.634 -2.935 8.324 1.00 0.00 H new ATOM 0 HA TYR A 51 0.597 -3.926 5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.210 -3.250 6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.694 -2.985 4.947 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.042 -5.785 7.409 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.520 -4.629 3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.605 -8.151 6.924 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.100 -6.993 3.047 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.268 -9.062 3.877 1.00 0.00 H new ATOM 796 N LEU A 52 0.888 -1.558 4.876 1.00 0.00 N ATOM 797 CA LEU A 52 1.392 -0.254 4.460 1.00 0.00 C ATOM 798 C LEU A 52 1.040 -0.034 2.983 1.00 0.00 C ATOM 799 O LEU A 52 0.516 -0.934 2.328 1.00 0.00 O ATOM 800 CB LEU A 52 2.916 -0.159 4.686 1.00 0.00 C ATOM 801 CG LEU A 52 3.454 -0.389 6.112 1.00 0.00 C ATOM 802 CD1 LEU A 52 4.981 -0.313 6.079 1.00 0.00 C ATOM 803 CD2 LEU A 52 2.995 0.613 7.170 1.00 0.00 C ATOM 0 H LEU A 52 1.047 -2.285 4.178 1.00 0.00 H new ATOM 0 HA LEU A 52 0.925 0.526 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.396 -0.883 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.240 0.830 4.363 1.00 0.00 H new ATOM 0 HG LEU A 52 3.057 -1.362 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.375 -0.474 7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.369 -1.080 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.289 0.670 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.435 0.353 8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.314 1.615 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.908 0.587 7.249 1.00 0.00 H new ATOM 815 N TYR A 53 1.321 1.145 2.442 1.00 0.00 N ATOM 816 CA TYR A 53 1.332 1.444 1.021 1.00 0.00 C ATOM 817 C TYR A 53 2.532 2.349 0.740 1.00 0.00 C ATOM 818 O TYR A 53 2.899 3.192 1.571 1.00 0.00 O ATOM 819 CB TYR A 53 0.006 2.068 0.567 1.00 0.00 C ATOM 820 CG TYR A 53 -0.282 3.493 1.009 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.533 3.811 2.357 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.373 4.504 0.036 1.00 0.00 C ATOM 823 CE1 TYR A 53 -0.912 5.111 2.726 1.00 0.00 C ATOM 824 CE2 TYR A 53 -0.782 5.798 0.389 1.00 0.00 C ATOM 825 CZ TYR A 53 -1.062 6.107 1.736 1.00 0.00 C ATOM 826 OH TYR A 53 -1.478 7.356 2.073 1.00 0.00 O ATOM 0 H TYR A 53 1.559 1.956 3.013 1.00 0.00 H new ATOM 0 HA TYR A 53 1.433 0.525 0.443 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.024 2.040 -0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.805 1.434 0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.433 3.048 3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.126 4.282 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.089 5.349 3.765 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.883 6.558 -0.371 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.525 7.913 1.268 1.00 0.00 H new ATOM 836 N TRP A 54 3.170 2.141 -0.413 1.00 0.00 N ATOM 837 CA TRP A 54 4.283 2.957 -0.853 1.00 0.00 C ATOM 838 C TRP A 54 3.659 4.156 -1.549 1.00 0.00 C ATOM 839 O TRP A 54 3.175 4.045 -2.679 1.00 0.00 O ATOM 840 CB TRP A 54 5.251 2.166 -1.746 1.00 0.00 C ATOM 841 CG TRP A 54 6.206 3.026 -2.502 1.00 0.00 C ATOM 842 CD1 TRP A 54 6.235 3.159 -3.845 1.00 0.00 C ATOM 843 CD2 TRP A 54 7.236 3.914 -1.989 1.00 0.00 C ATOM 844 NE1 TRP A 54 7.192 4.082 -4.194 1.00 0.00 N ATOM 845 CE2 TRP A 54 7.815 4.611 -3.088 1.00 0.00 C ATOM 846 CE3 TRP A 54 7.748 4.184 -0.707 1.00 0.00 C ATOM 847 CZ2 TRP A 54 8.823 5.566 -2.920 1.00 0.00 C ATOM 848 CZ3 TRP A 54 8.794 5.103 -0.530 1.00 0.00 C ATOM 849 CH2 TRP A 54 9.320 5.805 -1.630 1.00 0.00 C ATOM 0 H TRP A 54 2.922 1.397 -1.065 1.00 0.00 H new ATOM 0 HA TRP A 54 4.905 3.285 -0.020 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.815 1.469 -1.127 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.674 1.570 -2.453 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.604 2.623 -4.538 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.413 4.342 -5.155 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.331 3.678 0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 9.212 6.110 -3.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.198 5.272 0.457 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.108 6.529 -1.481 1.00 0.00 H new ATOM 860 N ASP A 55 3.595 5.288 -0.851 1.00 0.00 N ATOM 861 CA ASP A 55 2.997 6.494 -1.381 1.00 0.00 C ATOM 862 C ASP A 55 4.080 7.259 -2.113 1.00 0.00 C ATOM 863 O ASP A 55 4.766 8.108 -1.533 1.00 0.00 O ATOM 864 CB ASP A 55 2.345 7.337 -0.285 1.00 0.00 C ATOM 865 CG ASP A 55 1.474 8.450 -0.871 1.00 0.00 C ATOM 866 OD1 ASP A 55 1.358 8.558 -2.116 1.00 0.00 O ATOM 867 OD2 ASP A 55 0.834 9.154 -0.055 1.00 0.00 O ATOM 0 H ASP A 55 3.958 5.387 0.097 1.00 0.00 H new ATOM 0 HA ASP A 55 2.192 6.238 -2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.736 6.697 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.118 7.774 0.347 1.00 0.00 H new ATOM 872 N GLY A 56 4.271 6.937 -3.392 1.00 0.00 N ATOM 873 CA GLY A 56 5.230 7.605 -4.249 1.00 0.00 C ATOM 874 C GLY A 56 4.964 9.108 -4.359 1.00 0.00 C ATOM 875 O GLY A 56 5.892 9.841 -4.694 1.00 0.00 O ATOM 0 H GLY A 56 3.753 6.194 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.235 7.444 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.198 7.159 -5.243 1.00 0.00 H new ATOM 879 N GLU A 57 3.768 9.607 -4.003 1.00 0.00 N ATOM 880 CA GLU A 57 3.537 11.058 -3.988 1.00 0.00 C ATOM 881 C GLU A 57 4.315 11.732 -2.858 1.00 0.00 C ATOM 882 O GLU A 57 4.580 12.929 -2.919 1.00 0.00 O ATOM 883 CB GLU A 57 2.058 11.415 -3.812 1.00 0.00 C ATOM 884 CG GLU A 57 1.179 10.936 -4.969 1.00 0.00 C ATOM 885 CD GLU A 57 -0.069 11.806 -5.108 1.00 0.00 C ATOM 886 OE1 GLU A 57 -1.104 11.555 -4.441 1.00 0.00 O ATOM 887 OE2 GLU A 57 -0.061 12.755 -5.922 1.00 0.00 O ATOM 0 H GLU A 57 2.965 9.041 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 57 3.881 11.418 -4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.694 10.977 -2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.961 12.496 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.749 10.961 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.887 9.899 -4.803 1.00 0.00 H new ATOM 894 N ARG A 58 4.689 10.991 -1.818 1.00 0.00 N ATOM 895 CA ARG A 58 5.426 11.482 -0.657 1.00 0.00 C ATOM 896 C ARG A 58 6.759 10.756 -0.497 1.00 0.00 C ATOM 897 O ARG A 58 7.539 11.085 0.395 1.00 0.00 O ATOM 898 CB ARG A 58 4.531 11.306 0.573 1.00 0.00 C ATOM 899 CG ARG A 58 3.292 12.204 0.504 1.00 0.00 C ATOM 900 CD ARG A 58 2.371 11.902 1.686 1.00 0.00 C ATOM 901 NE ARG A 58 1.962 13.111 2.416 1.00 0.00 N ATOM 902 CZ ARG A 58 0.899 13.173 3.222 1.00 0.00 C ATOM 903 NH1 ARG A 58 0.121 12.119 3.406 1.00 0.00 N ATOM 904 NH2 ARG A 58 0.634 14.284 3.891 1.00 0.00 N ATOM 0 H ARG A 58 4.479 9.995 -1.759 1.00 0.00 H new ATOM 0 HA ARG A 58 5.671 12.536 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.221 10.264 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.100 11.539 1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.589 13.253 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.762 12.038 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.483 11.384 1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.879 11.224 2.372 1.00 0.00 H new ATOM 0 HE ARG A 58 2.525 13.954 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.329 11.242 2.929 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.687 12.183 4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.243 15.097 3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.179 14.328 4.506 1.00 0.00 H new ATOM 918 N ARG A 59 7.031 9.777 -1.365 1.00 0.00 N ATOM 919 CA ARG A 59 8.171 8.869 -1.324 1.00 0.00 C ATOM 920 C ARG A 59 8.387 8.356 0.095 1.00 0.00 C ATOM 921 O ARG A 59 9.463 8.520 0.676 1.00 0.00 O ATOM 922 CB ARG A 59 9.435 9.489 -1.944 1.00 0.00 C ATOM 923 CG ARG A 59 9.261 9.923 -3.406 1.00 0.00 C ATOM 924 CD ARG A 59 8.674 11.333 -3.513 1.00 0.00 C ATOM 925 NE ARG A 59 8.994 11.930 -4.814 1.00 0.00 N ATOM 926 CZ ARG A 59 9.369 13.192 -5.039 1.00 0.00 C ATOM 927 NH1 ARG A 59 9.262 14.117 -4.089 1.00 0.00 N ATOM 928 NH2 ARG A 59 9.877 13.519 -6.218 1.00 0.00 N ATOM 0 H ARG A 59 6.422 9.590 -2.161 1.00 0.00 H new ATOM 0 HA ARG A 59 7.944 8.006 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.732 10.354 -1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.249 8.767 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.226 9.891 -3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.608 9.217 -3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.593 11.293 -3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.069 11.959 -2.713 1.00 0.00 H new ATOM 0 HE ARG A 59 8.923 11.320 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.889 13.867 -3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.553 15.077 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.979 12.810 -6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.166 14.480 -6.400 1.00 0.00 H new ATOM 942 N THR A 60 7.354 7.751 0.673 1.00 0.00 N ATOM 943 CA THR A 60 7.452 7.154 1.989 1.00 0.00 C ATOM 944 C THR A 60 6.504 5.956 2.060 1.00 0.00 C ATOM 945 O THR A 60 5.512 5.894 1.330 1.00 0.00 O ATOM 946 CB THR A 60 7.229 8.263 3.037 1.00 0.00 C ATOM 947 OG1 THR A 60 7.694 7.891 4.320 1.00 0.00 O ATOM 948 CG2 THR A 60 5.779 8.739 3.129 1.00 0.00 C ATOM 0 H THR A 60 6.434 7.664 0.241 1.00 0.00 H new ATOM 0 HA THR A 60 8.438 6.742 2.205 1.00 0.00 H new ATOM 0 HB THR A 60 7.824 9.103 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.155 8.338 5.006 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.699 9.519 3.886 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.465 9.137 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.138 7.901 3.402 1.00 0.00 H new ATOM 956 N TYR A 61 6.830 4.994 2.922 1.00 0.00 N ATOM 957 CA TYR A 61 6.018 3.822 3.204 1.00 0.00 C ATOM 958 C TYR A 61 5.154 4.183 4.409 1.00 0.00 C ATOM 959 O TYR A 61 5.686 4.453 5.491 1.00 0.00 O ATOM 960 CB TYR A 61 6.920 2.611 3.510 1.00 0.00 C ATOM 961 CG TYR A 61 7.904 2.158 2.436 1.00 0.00 C ATOM 962 CD1 TYR A 61 9.171 2.760 2.304 1.00 0.00 C ATOM 963 CD2 TYR A 61 7.595 1.050 1.629 1.00 0.00 C ATOM 964 CE1 TYR A 61 10.111 2.232 1.396 1.00 0.00 C ATOM 965 CE2 TYR A 61 8.537 0.494 0.750 1.00 0.00 C ATOM 966 CZ TYR A 61 9.819 1.068 0.648 1.00 0.00 C ATOM 967 OH TYR A 61 10.769 0.523 -0.161 1.00 0.00 O ATOM 0 H TYR A 61 7.697 5.014 3.459 1.00 0.00 H new ATOM 0 HA TYR A 61 5.398 3.546 2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.491 2.839 4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.274 1.766 3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.422 3.626 2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.608 0.615 1.687 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.065 2.722 1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.280 -0.370 0.155 1.00 0.00 H new ATOM 0 HH TYR A 61 10.601 -0.437 -0.261 1.00 0.00 H new ATOM 977 N VAL A 62 3.841 4.229 4.228 1.00 0.00 N ATOM 978 CA VAL A 62 2.862 4.722 5.199 1.00 0.00 C ATOM 979 C VAL A 62 1.798 3.659 5.464 1.00 0.00 C ATOM 980 O VAL A 62 1.590 2.807 4.609 1.00 0.00 O ATOM 981 CB VAL A 62 2.238 6.047 4.705 1.00 0.00 C ATOM 982 CG1 VAL A 62 2.961 7.246 5.325 1.00 0.00 C ATOM 983 CG2 VAL A 62 2.251 6.227 3.177 1.00 0.00 C ATOM 0 H VAL A 62 3.405 3.910 3.363 1.00 0.00 H new ATOM 0 HA VAL A 62 3.366 4.927 6.143 1.00 0.00 H new ATOM 0 HB VAL A 62 1.196 5.997 5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.508 8.170 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.878 7.199 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.013 7.223 5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.794 7.183 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.280 6.208 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.688 5.418 2.711 1.00 0.00 H new ATOM 993 N PRO A 63 1.122 3.655 6.623 1.00 0.00 N ATOM 994 CA PRO A 63 0.114 2.653 6.933 1.00 0.00 C ATOM 995 C PRO A 63 -1.105 2.829 6.037 1.00 0.00 C ATOM 996 O PRO A 63 -1.639 3.933 5.924 1.00 0.00 O ATOM 997 CB PRO A 63 -0.207 2.824 8.417 1.00 0.00 C ATOM 998 CG PRO A 63 0.134 4.287 8.682 1.00 0.00 C ATOM 999 CD PRO A 63 1.310 4.554 7.746 1.00 0.00 C ATOM 0 HA PRO A 63 0.466 1.639 6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.254 2.610 8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.388 2.153 9.037 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.710 4.942 8.463 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.405 4.454 9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.323 5.594 7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.260 4.365 8.246 1.00 0.00 H new ATOM 1007 N ALA A 64 -1.553 1.734 5.418 1.00 0.00 N ATOM 1008 CA ALA A 64 -2.738 1.724 4.559 1.00 0.00 C ATOM 1009 C ALA A 64 -3.994 1.267 5.292 1.00 0.00 C ATOM 1010 O ALA A 64 -5.027 0.967 4.692 1.00 0.00 O ATOM 1011 CB ALA A 64 -2.473 0.857 3.336 1.00 0.00 C ATOM 0 H ALA A 64 -1.100 0.824 5.500 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.928 2.750 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.356 0.850 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.626 1.260 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.247 -0.161 3.654 1.00 0.00 H new ATOM 1017 N LEU A 65 -3.893 1.243 6.609 1.00 0.00 N ATOM 1018 CA LEU A 65 -4.984 1.047 7.523 1.00 0.00 C ATOM 1019 C LEU A 65 -5.863 2.285 7.426 1.00 0.00 C ATOM 1020 O LEU A 65 -5.380 3.389 7.664 1.00 0.00 O ATOM 1021 CB LEU A 65 -4.431 0.855 8.949 1.00 0.00 C ATOM 1022 CG LEU A 65 -3.952 -0.589 9.188 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -2.574 -0.895 8.593 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -3.899 -0.906 10.686 1.00 0.00 C ATOM 0 H LEU A 65 -2.999 1.367 7.085 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.566 0.158 7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.603 1.544 9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.204 1.106 9.675 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.685 -1.214 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.308 -1.931 8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.601 -0.740 7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.831 -0.232 9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.558 -1.931 10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.208 -0.222 11.178 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.893 -0.791 11.118 1.00 0.00 H new ATOM 1036 N GLU A 66 -7.150 2.090 7.122 1.00 0.00 N ATOM 1037 CA GLU A 66 -8.241 3.049 7.298 1.00 0.00 C ATOM 1038 C GLU A 66 -8.224 4.200 6.284 1.00 0.00 C ATOM 1039 O GLU A 66 -9.197 4.373 5.550 1.00 0.00 O ATOM 1040 CB GLU A 66 -8.257 3.542 8.753 1.00 0.00 C ATOM 1041 CG GLU A 66 -9.490 4.382 9.088 1.00 0.00 C ATOM 1042 CD GLU A 66 -9.494 4.817 10.553 1.00 0.00 C ATOM 1043 OE1 GLU A 66 -8.794 4.207 11.394 1.00 0.00 O ATOM 1044 OE2 GLU A 66 -10.166 5.824 10.857 1.00 0.00 O ATOM 0 H GLU A 66 -7.475 1.209 6.724 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.176 2.528 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.218 2.682 9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.360 4.133 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.516 5.263 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.391 3.807 8.876 1.00 0.00 H new ATOM 1051 N GLN A 67 -7.155 4.999 6.259 1.00 0.00 N ATOM 1052 CA GLN A 67 -6.917 6.132 5.368 1.00 0.00 C ATOM 1053 C GLN A 67 -8.127 7.071 5.193 1.00 0.00 C ATOM 1054 O GLN A 67 -8.321 7.630 4.110 1.00 0.00 O ATOM 1055 CB GLN A 67 -6.278 5.660 4.052 1.00 0.00 C ATOM 1056 CG GLN A 67 -7.205 4.848 3.128 1.00 0.00 C ATOM 1057 CD GLN A 67 -6.677 4.838 1.698 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -6.553 5.888 1.073 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -6.317 3.682 1.171 1.00 0.00 N ATOM 0 H GLN A 67 -6.380 4.860 6.907 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.190 6.779 5.859 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.921 6.533 3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.404 5.053 4.288 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.287 3.825 3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.208 5.275 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.428 2.821 1.706 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.928 3.650 0.229 1.00 0.00 H new ATOM 1068 N SER A 68 -8.929 7.250 6.248 1.00 0.00 N ATOM 1069 CA SER A 68 -10.058 8.184 6.367 1.00 0.00 C ATOM 1070 C SER A 68 -11.335 7.776 5.623 1.00 0.00 C ATOM 1071 O SER A 68 -12.400 8.360 5.851 1.00 0.00 O ATOM 1072 CB SER A 68 -9.635 9.582 5.906 1.00 0.00 C ATOM 1073 OG SER A 68 -8.381 9.936 6.461 1.00 0.00 O ATOM 0 H SER A 68 -8.798 6.709 7.103 1.00 0.00 H new ATOM 0 HA SER A 68 -10.316 8.170 7.426 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.577 9.609 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.388 10.311 6.203 1.00 0.00 H new ATOM 0 HG SER A 68 -8.128 10.831 6.153 1.00 0.00 H new ATOM 1079 N ALA A 69 -11.249 6.787 4.746 1.00 0.00 N ATOM 1080 CA ALA A 69 -12.329 6.343 3.882 1.00 0.00 C ATOM 1081 C ALA A 69 -13.276 5.407 4.641 1.00 0.00 C ATOM 1082 O ALA A 69 -13.030 4.201 4.699 1.00 0.00 O ATOM 1083 CB ALA A 69 -11.735 5.678 2.639 1.00 0.00 C ATOM 0 H ALA A 69 -10.391 6.252 4.613 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.923 7.199 3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.541 5.342 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.111 6.395 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.130 4.822 2.938 1.00 0.00 H new ATOM 1089 N ASP A 70 -14.364 5.957 5.188 1.00 0.00 N ATOM 1090 CA ASP A 70 -15.563 5.285 5.713 1.00 0.00 C ATOM 1091 C ASP A 70 -15.343 4.540 7.032 1.00 0.00 C ATOM 1092 O ASP A 70 -16.201 4.590 7.912 1.00 0.00 O ATOM 1093 CB ASP A 70 -16.213 4.433 4.605 1.00 0.00 C ATOM 1094 CG ASP A 70 -17.418 3.571 4.999 1.00 0.00 C ATOM 1095 OD1 ASP A 70 -18.124 3.840 5.999 1.00 0.00 O ATOM 1096 OD2 ASP A 70 -17.625 2.538 4.316 1.00 0.00 O ATOM 0 H ASP A 70 -14.438 6.970 5.284 1.00 0.00 H new ATOM 0 HA ASP A 70 -16.276 6.059 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.524 5.102 3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.448 3.775 4.192 1.00 0.00 H new ATOM 1101 N GLY A 71 -14.198 3.902 7.237 1.00 0.00 N ATOM 1102 CA GLY A 71 -13.767 3.387 8.519 1.00 0.00 C ATOM 1103 C GLY A 71 -12.604 2.438 8.326 1.00 0.00 C ATOM 1104 O GLY A 71 -12.115 2.265 7.211 1.00 0.00 O ATOM 0 H GLY A 71 -13.527 3.726 6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.473 4.209 9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.592 2.871 9.010 1.00 0.00 H new ATOM 1108 N HIS A 72 -12.143 1.829 9.414 1.00 0.00 N ATOM 1109 CA HIS A 72 -11.085 0.825 9.347 1.00 0.00 C ATOM 1110 C HIS A 72 -11.593 -0.525 8.872 1.00 0.00 C ATOM 1111 O HIS A 72 -10.849 -1.274 8.242 1.00 0.00 O ATOM 1112 CB HIS A 72 -10.408 0.640 10.686 1.00 0.00 C ATOM 1113 CG HIS A 72 -11.307 0.808 11.866 1.00 0.00 C ATOM 1114 ND1 HIS A 72 -12.069 -0.156 12.478 1.00 0.00 N ATOM 1115 CD2 HIS A 72 -11.558 2.008 12.455 1.00 0.00 C ATOM 1116 CE1 HIS A 72 -12.734 0.455 13.475 1.00 0.00 C ATOM 1117 NE2 HIS A 72 -12.445 1.770 13.508 1.00 0.00 N ATOM 0 H HIS A 72 -12.487 2.014 10.356 1.00 0.00 H new ATOM 0 HA HIS A 72 -10.367 1.205 8.620 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.967 -0.356 10.721 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.588 1.354 10.766 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.149 2.964 12.164 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.408 -0.042 14.157 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.803 2.457 14.171 1.00 0.00 H new ATOM 1125 N LYS A 73 -12.867 -0.812 9.158 1.00 0.00 N ATOM 1126 CA LYS A 73 -13.529 -2.040 8.740 1.00 0.00 C ATOM 1127 C LYS A 73 -12.787 -3.257 9.292 1.00 0.00 C ATOM 1128 O LYS A 73 -12.172 -3.186 10.363 1.00 0.00 O ATOM 1129 CB LYS A 73 -13.706 -2.033 7.206 1.00 0.00 C ATOM 1130 CG LYS A 73 -14.182 -0.683 6.651 1.00 0.00 C ATOM 1131 CD LYS A 73 -15.543 -0.288 7.224 1.00 0.00 C ATOM 1132 CE LYS A 73 -16.069 0.994 6.590 1.00 0.00 C ATOM 1133 NZ LYS A 73 -17.400 1.338 7.131 1.00 0.00 N ATOM 0 H LYS A 73 -13.470 -0.187 9.693 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.533 -2.103 9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.757 -2.295 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.423 -2.805 6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.449 0.088 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.246 -0.738 5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.256 -1.095 7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.459 -0.153 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.372 1.811 6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.131 0.871 5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.524 2.371 7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.137 0.893 6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.477 0.993 8.109 1.00 0.00 H new ATOM 1147 N GLU A 74 -12.925 -4.396 8.619 1.00 0.00 N ATOM 1148 CA GLU A 74 -12.076 -5.546 8.868 1.00 0.00 C ATOM 1149 C GLU A 74 -10.629 -5.208 8.502 1.00 0.00 C ATOM 1150 O GLU A 74 -10.375 -4.324 7.686 1.00 0.00 O ATOM 1151 CB GLU A 74 -12.544 -6.752 8.051 1.00 0.00 C ATOM 1152 CG GLU A 74 -13.941 -7.263 8.453 1.00 0.00 C ATOM 1153 CD GLU A 74 -13.963 -8.731 8.889 1.00 0.00 C ATOM 1154 OE1 GLU A 74 -13.182 -9.571 8.389 1.00 0.00 O ATOM 1155 OE2 GLU A 74 -14.802 -9.080 9.756 1.00 0.00 O ATOM 0 H GLU A 74 -13.625 -4.543 7.892 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.137 -5.798 9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.554 -6.483 6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.823 -7.561 8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.322 -6.647 9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.621 -7.134 7.611 1.00 0.00 H new ATOM 1162 N THR A 75 -9.707 -6.011 9.026 1.00 0.00 N ATOM 1163 CA THR A 75 -8.244 -5.986 8.928 1.00 0.00 C ATOM 1164 C THR A 75 -7.676 -5.974 7.498 1.00 0.00 C ATOM 1165 O THR A 75 -6.458 -6.051 7.314 1.00 0.00 O ATOM 1166 CB THR A 75 -7.733 -7.286 9.585 1.00 0.00 C ATOM 1167 OG1 THR A 75 -8.666 -7.843 10.507 1.00 0.00 O ATOM 1168 CG2 THR A 75 -6.436 -7.101 10.370 1.00 0.00 C ATOM 0 H THR A 75 -10.004 -6.797 9.604 1.00 0.00 H new ATOM 0 HA THR A 75 -7.920 -5.060 9.403 1.00 0.00 H new ATOM 0 HB THR A 75 -7.575 -7.948 8.734 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.295 -8.664 10.892 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.135 -8.054 10.805 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.653 -6.744 9.701 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.593 -6.373 11.166 1.00 0.00 H new ATOM 1176 N GLY A 76 -8.534 -6.015 6.486 1.00 0.00 N ATOM 1177 CA GLY A 76 -8.174 -6.142 5.099 1.00 0.00 C ATOM 1178 C GLY A 76 -9.029 -5.138 4.335 1.00 0.00 C ATOM 1179 O GLY A 76 -8.631 -3.983 4.201 1.00 0.00 O ATOM 0 H GLY A 76 -9.542 -5.957 6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.113 -5.938 4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.355 -7.156 4.743 1.00 0.00 H new ATOM 1183 N ALA A 77 -10.238 -5.547 3.943 1.00 0.00 N ATOM 1184 CA ALA A 77 -11.306 -4.725 3.374 1.00 0.00 C ATOM 1185 C ALA A 77 -10.804 -3.737 2.296 1.00 0.00 C ATOM 1186 O ALA A 77 -10.806 -2.524 2.523 1.00 0.00 O ATOM 1187 CB ALA A 77 -12.100 -4.075 4.510 1.00 0.00 C ATOM 0 H ALA A 77 -10.514 -6.526 4.020 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.991 -5.366 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.898 -3.461 4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.533 -4.851 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.436 -3.450 5.107 1.00 0.00 H new ATOM 1193 N PRO A 78 -10.413 -4.229 1.106 1.00 0.00 N ATOM 1194 CA PRO A 78 -9.520 -3.526 0.178 1.00 0.00 C ATOM 1195 C PRO A 78 -10.083 -2.270 -0.503 1.00 0.00 C ATOM 1196 O PRO A 78 -9.279 -1.506 -1.042 1.00 0.00 O ATOM 1197 CB PRO A 78 -9.115 -4.581 -0.857 1.00 0.00 C ATOM 1198 CG PRO A 78 -10.240 -5.615 -0.807 1.00 0.00 C ATOM 1199 CD PRO A 78 -10.632 -5.599 0.664 1.00 0.00 C ATOM 0 HA PRO A 78 -8.686 -3.116 0.748 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.020 -4.146 -1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.152 -5.029 -0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.074 -5.340 -1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.901 -6.600 -1.127 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.673 -5.893 0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.027 -6.299 1.240 1.00 0.00 H new ATOM 1207 N SER A 79 -11.411 -2.075 -0.512 1.00 0.00 N ATOM 1208 CA SER A 79 -12.180 -0.905 -0.985 1.00 0.00 C ATOM 1209 C SER A 79 -11.780 -0.285 -2.335 1.00 0.00 C ATOM 1210 O SER A 79 -12.141 0.855 -2.629 1.00 0.00 O ATOM 1211 CB SER A 79 -12.351 0.135 0.138 1.00 0.00 C ATOM 1212 OG SER A 79 -11.231 0.190 0.998 1.00 0.00 O ATOM 0 H SER A 79 -12.035 -2.798 -0.156 1.00 0.00 H new ATOM 0 HA SER A 79 -13.155 -1.323 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.515 1.118 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.241 -0.106 0.720 1.00 0.00 H new ATOM 0 HG SER A 79 -11.194 -0.626 1.539 1.00 0.00 H new ATOM 1218 N LYS A 80 -11.096 -1.030 -3.198 1.00 0.00 N ATOM 1219 CA LYS A 80 -10.649 -0.580 -4.513 1.00 0.00 C ATOM 1220 C LYS A 80 -10.885 -1.667 -5.561 1.00 0.00 C ATOM 1221 O LYS A 80 -10.192 -1.693 -6.579 1.00 0.00 O ATOM 1222 CB LYS A 80 -9.183 -0.112 -4.417 1.00 0.00 C ATOM 1223 CG LYS A 80 -9.065 1.341 -3.945 1.00 0.00 C ATOM 1224 CD LYS A 80 -7.613 1.832 -3.867 1.00 0.00 C ATOM 1225 CE LYS A 80 -6.837 1.738 -5.191 1.00 0.00 C ATOM 1226 NZ LYS A 80 -6.010 0.516 -5.276 1.00 0.00 N ATOM 0 H LYS A 80 -10.829 -1.993 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.236 0.277 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.642 -0.760 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.707 -0.215 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.624 1.984 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.528 1.437 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.611 2.869 -3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.086 1.251 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.541 1.755 -6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.197 2.614 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.783 0.319 -6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.129 0.655 -4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.535 -0.287 -4.875 1.00 0.00 H new ATOM 1240 N GLU A 81 -11.827 -2.581 -5.310 1.00 0.00 N ATOM 1241 CA GLU A 81 -12.175 -3.646 -6.254 1.00 0.00 C ATOM 1242 C GLU A 81 -13.628 -4.135 -6.088 1.00 0.00 C ATOM 1243 O GLU A 81 -13.944 -5.294 -6.373 1.00 0.00 O ATOM 1244 CB GLU A 81 -11.146 -4.795 -6.228 1.00 0.00 C ATOM 1245 CG GLU A 81 -11.062 -5.615 -4.924 1.00 0.00 C ATOM 1246 CD GLU A 81 -10.293 -6.936 -5.091 1.00 0.00 C ATOM 1247 OE1 GLU A 81 -10.000 -7.346 -6.233 1.00 0.00 O ATOM 1248 OE2 GLU A 81 -10.016 -7.610 -4.077 1.00 0.00 O ATOM 0 H GLU A 81 -12.370 -2.603 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 81 -12.126 -3.211 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.376 -5.478 -7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.161 -4.375 -6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.577 -5.014 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.071 -5.831 -4.572 1.00 0.00 H new ATOM 1255 N GLY A 82 -14.544 -3.273 -5.640 1.00 0.00 N ATOM 1256 CA GLY A 82 -15.963 -3.601 -5.571 1.00 0.00 C ATOM 1257 C GLY A 82 -16.714 -2.642 -4.665 1.00 0.00 C ATOM 1258 O GLY A 82 -17.250 -1.631 -5.132 1.00 0.00 O ATOM 0 H GLY A 82 -14.320 -2.332 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.394 -3.570 -6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -16.084 -4.620 -5.204 1.00 0.00 H new ATOM 1262 N LYS A 83 -16.724 -2.915 -3.361 1.00 0.00 N ATOM 1263 CA LYS A 83 -17.492 -2.189 -2.361 1.00 0.00 C ATOM 1264 C LYS A 83 -16.612 -1.082 -1.798 1.00 0.00 C ATOM 1265 O LYS A 83 -16.356 -0.967 -0.603 1.00 0.00 O ATOM 1266 CB LYS A 83 -18.098 -3.177 -1.339 1.00 0.00 C ATOM 1267 CG LYS A 83 -19.557 -2.796 -1.045 1.00 0.00 C ATOM 1268 CD LYS A 83 -20.334 -3.912 -0.343 1.00 0.00 C ATOM 1269 CE LYS A 83 -21.776 -3.426 -0.147 1.00 0.00 C ATOM 1270 NZ LYS A 83 -22.711 -4.530 0.151 1.00 0.00 N ATOM 0 H LYS A 83 -16.176 -3.677 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 83 -18.364 -1.687 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.050 -4.193 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -17.516 -3.163 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -19.575 -1.901 -0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -20.057 -2.545 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -20.316 -4.824 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.877 -4.150 0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -21.804 -2.701 0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -22.106 -2.908 -1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -23.671 -4.148 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -22.707 -5.210 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -22.414 -5.010 1.025 1.00 0.00 H new ATOM 1284 N GLU A 84 -16.134 -0.250 -2.717 1.00 0.00 N ATOM 1285 CA GLU A 84 -15.369 0.958 -2.462 1.00 0.00 C ATOM 1286 C GLU A 84 -16.166 1.902 -1.550 1.00 0.00 C ATOM 1287 O GLU A 84 -15.676 2.317 -0.503 1.00 0.00 O ATOM 1288 CB GLU A 84 -14.968 1.590 -3.818 1.00 0.00 C ATOM 1289 CG GLU A 84 -16.130 1.692 -4.835 1.00 0.00 C ATOM 1290 CD GLU A 84 -15.839 2.521 -6.083 1.00 0.00 C ATOM 1291 OE1 GLU A 84 -15.604 3.737 -5.920 1.00 0.00 O ATOM 1292 OE2 GLU A 84 -16.025 1.998 -7.212 1.00 0.00 O ATOM 0 H GLU A 84 -16.280 -0.412 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.447 0.734 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.568 2.588 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.164 1.000 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.408 0.685 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.996 2.120 -4.330 1.00 0.00 H new ATOM 1299 N LYS A 85 -17.399 2.218 -1.949 1.00 0.00 N ATOM 1300 CA LYS A 85 -18.382 3.078 -1.288 1.00 0.00 C ATOM 1301 C LYS A 85 -19.786 2.730 -1.789 1.00 0.00 C ATOM 1302 O LYS A 85 -20.644 3.615 -1.905 1.00 0.00 O ATOM 1303 CB LYS A 85 -18.028 4.561 -1.503 1.00 0.00 C ATOM 1304 CG LYS A 85 -17.847 4.955 -2.980 1.00 0.00 C ATOM 1305 CD LYS A 85 -17.645 6.468 -3.099 1.00 0.00 C ATOM 1306 CE LYS A 85 -17.468 6.848 -4.571 1.00 0.00 C ATOM 1307 NZ LYS A 85 -17.492 8.313 -4.764 1.00 0.00 N ATOM 0 H LYS A 85 -17.769 1.844 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 85 -18.364 2.904 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.814 5.178 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -17.109 4.786 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.989 4.431 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.721 4.650 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.502 6.994 -2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.770 6.774 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.523 6.448 -4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.260 6.390 -5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.369 8.532 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.403 8.692 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.720 8.748 -4.219 1.00 0.00 H new ATOM 1321 N LYS A 86 -19.997 1.484 -2.226 1.00 0.00 N ATOM 1322 CA LYS A 86 -21.248 1.053 -2.836 1.00 0.00 C ATOM 1323 C LYS A 86 -22.209 0.687 -1.710 1.00 0.00 C ATOM 1324 O LYS A 86 -22.079 -0.375 -1.101 1.00 0.00 O ATOM 1325 CB LYS A 86 -20.994 -0.080 -3.836 1.00 0.00 C ATOM 1326 CG LYS A 86 -20.321 0.400 -5.139 1.00 0.00 C ATOM 1327 CD LYS A 86 -21.301 1.037 -6.141 1.00 0.00 C ATOM 1328 CE LYS A 86 -21.385 2.566 -6.030 1.00 0.00 C ATOM 1329 NZ LYS A 86 -22.541 3.094 -6.782 1.00 0.00 N ATOM 0 H LYS A 86 -19.296 0.745 -2.163 1.00 0.00 H new ATOM 0 HA LYS A 86 -21.707 1.849 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -20.365 -0.836 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -21.942 -0.560 -4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.545 1.125 -4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.826 -0.446 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.997 0.771 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -22.294 0.614 -5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.468 2.853 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.466 3.012 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.572 4.129 -6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -22.448 2.839 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -23.419 2.686 -6.401 1.00 0.00 H new ATOM 1343 N GLU A 87 -23.107 1.614 -1.378 1.00 0.00 N ATOM 1344 CA GLU A 87 -23.977 1.527 -0.204 1.00 0.00 C ATOM 1345 C GLU A 87 -25.351 2.177 -0.458 1.00 0.00 C ATOM 1346 O GLU A 87 -26.362 1.704 0.063 1.00 0.00 O ATOM 1347 CB GLU A 87 -23.247 2.161 1.004 1.00 0.00 C ATOM 1348 CG GLU A 87 -23.465 1.430 2.335 1.00 0.00 C ATOM 1349 CD GLU A 87 -24.866 1.623 2.913 1.00 0.00 C ATOM 1350 OE1 GLU A 87 -25.171 2.736 3.397 1.00 0.00 O ATOM 1351 OE2 GLU A 87 -25.645 0.641 2.914 1.00 0.00 O ATOM 0 H GLU A 87 -23.253 2.461 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 87 -24.182 0.479 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -22.178 2.191 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -23.580 3.193 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -23.284 0.365 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -22.730 1.782 3.059 1.00 0.00 H new ATOM 1358 N LYS A 88 -25.429 3.242 -1.263 1.00 0.00 N ATOM 1359 CA LYS A 88 -26.667 3.956 -1.602 1.00 0.00 C ATOM 1360 C LYS A 88 -26.845 4.038 -3.123 1.00 0.00 C ATOM 1361 O LYS A 88 -26.061 3.445 -3.863 1.00 0.00 O ATOM 1362 CB LYS A 88 -26.678 5.342 -0.912 1.00 0.00 C ATOM 1363 CG LYS A 88 -27.702 5.432 0.234 1.00 0.00 C ATOM 1364 CD LYS A 88 -27.098 5.048 1.587 1.00 0.00 C ATOM 1365 CE LYS A 88 -28.190 5.044 2.664 1.00 0.00 C ATOM 1366 NZ LYS A 88 -27.633 5.140 4.028 1.00 0.00 N ATOM 0 H LYS A 88 -24.606 3.645 -1.712 1.00 0.00 H new ATOM 0 HA LYS A 88 -27.527 3.403 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -25.683 5.556 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -26.901 6.110 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -28.093 6.448 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -28.545 4.777 0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -26.635 4.063 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -26.311 5.753 1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -28.870 5.879 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -28.779 4.131 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -28.409 5.134 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -27.005 4.330 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -27.093 6.024 4.121 1.00 0.00 H new ATOM 1380 N HIS A 89 -27.870 4.765 -3.583 1.00 0.00 N ATOM 1381 CA HIS A 89 -28.280 4.910 -4.980 1.00 0.00 C ATOM 1382 C HIS A 89 -28.545 3.571 -5.670 1.00 0.00 C ATOM 1383 O HIS A 89 -27.629 2.869 -6.120 1.00 0.00 O ATOM 1384 CB HIS A 89 -27.343 5.839 -5.764 1.00 0.00 C ATOM 1385 CG HIS A 89 -27.827 7.262 -5.689 1.00 0.00 C ATOM 1386 ND1 HIS A 89 -27.600 8.168 -4.677 1.00 0.00 N ATOM 1387 CD2 HIS A 89 -28.720 7.828 -6.553 1.00 0.00 C ATOM 1388 CE1 HIS A 89 -28.332 9.265 -4.930 1.00 0.00 C ATOM 1389 NE2 HIS A 89 -29.037 9.103 -6.067 1.00 0.00 N ATOM 0 H HIS A 89 -28.468 5.298 -2.952 1.00 0.00 H new ATOM 0 HA HIS A 89 -29.249 5.409 -4.970 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -26.333 5.771 -5.361 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -27.293 5.520 -6.805 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -29.112 7.374 -7.451 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -28.353 10.150 -4.311 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -29.676 9.776 -6.490 1.00 0.00 H new ATOM 1397 N LYS A 90 -29.829 3.219 -5.728 1.00 0.00 N ATOM 1398 CA LYS A 90 -30.340 2.042 -6.402 1.00 0.00 C ATOM 1399 C LYS A 90 -31.646 2.408 -7.099 1.00 0.00 C ATOM 1400 O LYS A 90 -32.662 2.608 -6.439 1.00 0.00 O ATOM 1401 CB LYS A 90 -30.449 0.827 -5.462 1.00 0.00 C ATOM 1402 CG LYS A 90 -31.163 0.980 -4.107 1.00 0.00 C ATOM 1403 CD LYS A 90 -30.339 1.721 -3.037 1.00 0.00 C ATOM 1404 CE LYS A 90 -30.788 1.339 -1.620 1.00 0.00 C ATOM 1405 NZ LYS A 90 -30.376 -0.041 -1.266 1.00 0.00 N ATOM 0 H LYS A 90 -30.564 3.772 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 90 -29.632 1.718 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -30.956 0.034 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -29.436 0.478 -5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -32.100 1.514 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -31.419 -0.010 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -29.282 1.485 -3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -30.444 2.797 -3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -30.363 2.041 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -31.872 1.425 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -30.416 -0.161 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -31.018 -0.722 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -29.404 -0.209 -1.597 1.00 0.00 H new ATOM 1419 N THR A 91 -31.597 2.506 -8.428 1.00 0.00 N ATOM 1420 CA THR A 91 -32.730 2.803 -9.294 1.00 0.00 C ATOM 1421 C THR A 91 -33.463 4.080 -8.833 1.00 0.00 C ATOM 1422 O THR A 91 -34.650 4.042 -8.500 1.00 0.00 O ATOM 1423 CB THR A 91 -33.600 1.528 -9.391 1.00 0.00 C ATOM 1424 OG1 THR A 91 -32.760 0.424 -9.685 1.00 0.00 O ATOM 1425 CG2 THR A 91 -34.649 1.578 -10.507 1.00 0.00 C ATOM 0 H THR A 91 -30.730 2.375 -8.948 1.00 0.00 H new ATOM 0 HA THR A 91 -32.413 3.048 -10.308 1.00 0.00 H new ATOM 0 HB THR A 91 -34.115 1.442 -8.434 1.00 0.00 H new ATOM 0 HG1 THR A 91 -33.301 -0.391 -9.747 1.00 0.00 H new ATOM 0 HG21 THR A 91 -35.219 0.649 -10.512 1.00 0.00 H new ATOM 0 HG22 THR A 91 -35.323 2.417 -10.335 1.00 0.00 H new ATOM 0 HG23 THR A 91 -34.151 1.704 -11.469 1.00 0.00 H new ATOM 1433 N LYS A 92 -32.820 5.247 -8.982 1.00 0.00 N ATOM 1434 CA LYS A 92 -32.576 6.267 -7.955 1.00 0.00 C ATOM 1435 C LYS A 92 -31.442 5.701 -7.121 1.00 0.00 C ATOM 1436 O LYS A 92 -31.491 5.682 -5.875 1.00 0.00 O ATOM 1437 CB LYS A 92 -33.804 6.718 -7.131 1.00 0.00 C ATOM 1438 CG LYS A 92 -34.701 7.752 -7.839 1.00 0.00 C ATOM 1439 CD LYS A 92 -35.509 7.224 -9.031 1.00 0.00 C ATOM 1440 CE LYS A 92 -36.607 6.261 -8.557 1.00 0.00 C ATOM 1441 NZ LYS A 92 -36.944 5.256 -9.585 1.00 0.00 N ATOM 0 H LYS A 92 -32.431 5.521 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 92 -32.315 7.216 -8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -34.404 5.841 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -33.458 7.141 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -35.395 8.165 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -34.074 8.574 -8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -35.958 8.058 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -34.846 6.713 -9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -36.278 5.755 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -37.501 6.829 -8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -37.910 4.905 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -36.887 5.691 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -36.273 4.463 -9.528 1.00 0.00 H new TER 1455 LYS A 92