USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 815 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 14 LYS NZ :NH3+ 148:sc= 0.0623 (180deg=-0.765) USER MOD Set 1.2: A 104 SER OG : rot -20:sc= 0.152 USER MOD Set 2.1: A 90 ASN : amide:sc= 0 K(o=-0.13,f=-0.7) USER MOD Set 2.2: A 93 MET CE :methyl -160:sc= -0.133 (180deg=-0.653) USER MOD Set 3.1: A 37 GLN :FLIP amide:sc= -0.373 X(o=-1.2,f=-0.94) USER MOD Set 3.2: A 38 ASN :FLIP amide:sc= -0.569 F(o=-1.9,f=-0.94) USER MOD Single : A 4 SER OG : rot 27:sc= 0.0652 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 22 CYS SG : rot 94:sc= -0.541 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0385 K(o=-0.039,f=-1.3) USER MOD Single : A 32 SER OG : rot -89:sc= 0.813 USER MOD Single : A 34 CYS SG : rot -98:sc= -0.118 USER MOD Single : A 35 LYS NZ :NH3+ -123:sc= 0.734 (180deg=0.0383) USER MOD Single : A 41 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.011) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 170:sc= -0.0901 USER MOD Single : A 54 SER OG : rot 172:sc= -0.821 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0639) USER MOD Single : A 73 LYS NZ :NH3+ 130:sc= 0.63 (180deg=0.393) USER MOD Single : A 77 THR OG1 : rot 35:sc= 0.221 USER MOD Single : A 78 MET CE :methyl 166:sc= -0.0203 (180deg=-0.353) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= -0.0147 (180deg=-0.843!) USER MOD Single : A 88 SER OG : rot -140:sc= -0.0452 USER MOD Single : A 89 ASN : amide:sc= 0.0629 K(o=0.063,f=-2.6) USER MOD Single : A 98 LYS NZ :NH3+ -152:sc= -0.0604 (180deg=-0.804) USER MOD Single : A 99 HIS : no HD1:sc= -0.183 X(o=-0.18,f=0.022) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.685 USER MOD Single : A 103 ASN : amide:sc= 0.287 X(o=0.29,f=-0.1) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc=-0.00468 K(o=-0.0047,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 4 12.037 7.254 9.332 1.00 0.00 N ATOM 2 CA SER A 4 13.318 6.526 9.315 1.00 0.00 C ATOM 3 C SER A 4 13.478 5.709 10.614 1.00 0.00 C ATOM 4 O SER A 4 14.591 5.282 10.951 1.00 0.00 O ATOM 5 CB SER A 4 14.484 7.544 9.150 1.00 0.00 C ATOM 6 OG SER A 4 14.346 8.300 7.953 1.00 0.00 O ATOM 0 HA SER A 4 13.337 5.831 8.475 1.00 0.00 H new ATOM 0 HB2 SER A 4 14.506 8.217 10.007 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.435 7.012 9.139 1.00 0.00 H new ATOM 0 HG SER A 4 13.399 8.351 7.706 1.00 0.00 H new ATOM 12 N HIS A 5 12.335 5.466 11.304 1.00 0.00 N ATOM 13 CA HIS A 5 12.289 4.823 12.636 1.00 0.00 C ATOM 14 C HIS A 5 12.900 3.407 12.567 1.00 0.00 C ATOM 15 O HIS A 5 12.477 2.603 11.725 1.00 0.00 O ATOM 16 CB HIS A 5 10.829 4.770 13.141 1.00 0.00 C ATOM 17 CG HIS A 5 10.684 4.313 14.571 1.00 0.00 C ATOM 18 ND1 HIS A 5 10.343 3.028 14.925 1.00 0.00 N ATOM 19 CD2 HIS A 5 10.820 4.996 15.734 1.00 0.00 C ATOM 20 CE1 HIS A 5 10.274 2.940 16.240 1.00 0.00 C ATOM 21 NE2 HIS A 5 10.556 4.116 16.751 1.00 0.00 N ATOM 0 H HIS A 5 11.413 5.714 10.946 1.00 0.00 H new ATOM 0 HA HIS A 5 12.878 5.411 13.339 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.386 5.761 13.042 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.258 4.100 12.498 1.00 0.00 H new ATOM 0 HD2 HIS A 5 11.086 6.037 15.839 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.027 2.051 16.801 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.576 4.339 17.746 1.00 0.00 H new ATOM 30 N MET A 6 13.917 3.171 13.435 1.00 0.00 N ATOM 31 CA MET A 6 14.787 1.963 13.461 1.00 0.00 C ATOM 32 C MET A 6 15.833 2.032 12.329 1.00 0.00 C ATOM 33 O MET A 6 17.042 2.004 12.574 1.00 0.00 O ATOM 34 CB MET A 6 13.982 0.623 13.406 1.00 0.00 C ATOM 35 CG MET A 6 14.834 -0.654 13.406 1.00 0.00 C ATOM 36 SD MET A 6 15.918 -0.756 14.844 1.00 0.00 S ATOM 37 CE MET A 6 16.684 -2.354 14.596 1.00 0.00 C ATOM 0 H MET A 6 14.164 3.841 14.164 1.00 0.00 H new ATOM 0 HA MET A 6 15.301 1.964 14.422 1.00 0.00 H new ATOM 0 HB2 MET A 6 13.306 0.589 14.260 1.00 0.00 H new ATOM 0 HB3 MET A 6 13.363 0.627 12.509 1.00 0.00 H new ATOM 0 HG2 MET A 6 14.179 -1.525 13.386 1.00 0.00 H new ATOM 0 HG3 MET A 6 15.436 -0.686 12.498 1.00 0.00 H new ATOM 0 HE1 MET A 6 17.381 -2.554 15.410 1.00 0.00 H new ATOM 0 HE2 MET A 6 15.916 -3.127 14.579 1.00 0.00 H new ATOM 0 HE3 MET A 6 17.222 -2.356 13.648 1.00 0.00 H new ATOM 47 N GLY A 7 15.331 2.109 11.097 1.00 0.00 N ATOM 48 CA GLY A 7 16.145 2.175 9.897 1.00 0.00 C ATOM 49 C GLY A 7 15.330 1.658 8.738 1.00 0.00 C ATOM 50 O GLY A 7 14.848 2.441 7.902 1.00 0.00 O ATOM 0 H GLY A 7 14.329 2.127 10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.462 3.201 9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.050 1.580 10.020 1.00 0.00 H new ATOM 54 N GLY A 8 15.130 0.331 8.724 1.00 0.00 N ATOM 55 CA GLY A 8 14.242 -0.302 7.777 1.00 0.00 C ATOM 56 C GLY A 8 14.495 -1.789 7.624 1.00 0.00 C ATOM 57 O GLY A 8 14.223 -2.567 8.549 1.00 0.00 O ATOM 0 H GLY A 8 15.582 -0.316 9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.211 -0.146 8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.353 0.181 6.806 1.00 0.00 H new ATOM 61 N GLU A 9 15.014 -2.165 6.434 1.00 0.00 N ATOM 62 CA GLU A 9 15.099 -3.554 5.923 1.00 0.00 C ATOM 63 C GLU A 9 13.707 -4.214 5.819 1.00 0.00 C ATOM 64 O GLU A 9 13.599 -5.424 5.611 1.00 0.00 O ATOM 65 CB GLU A 9 16.093 -4.406 6.750 1.00 0.00 C ATOM 66 CG GLU A 9 17.542 -3.899 6.666 1.00 0.00 C ATOM 67 CD GLU A 9 18.517 -4.737 7.492 1.00 0.00 C ATOM 68 OE1 GLU A 9 18.672 -4.460 8.699 1.00 0.00 O ATOM 69 OE2 GLU A 9 19.121 -5.686 6.949 1.00 0.00 O ATOM 0 H GLU A 9 15.400 -1.486 5.778 1.00 0.00 H new ATOM 0 HA GLU A 9 15.495 -3.503 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.777 -4.411 7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.055 -5.438 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.862 -3.901 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.580 -2.865 7.009 1.00 0.00 H new ATOM 76 N GLY A 10 12.656 -3.373 5.885 1.00 0.00 N ATOM 77 CA GLY A 10 11.265 -3.799 5.824 1.00 0.00 C ATOM 78 C GLY A 10 10.605 -3.114 4.650 1.00 0.00 C ATOM 79 O GLY A 10 10.044 -2.016 4.784 1.00 0.00 O ATOM 0 H GLY A 10 12.764 -2.364 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.205 -4.882 5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.750 -3.544 6.750 1.00 0.00 H new ATOM 83 N PHE A 11 10.686 -3.771 3.485 1.00 0.00 N ATOM 84 CA PHE A 11 10.353 -3.172 2.177 1.00 0.00 C ATOM 85 C PHE A 11 8.836 -3.149 1.871 1.00 0.00 C ATOM 86 O PHE A 11 8.433 -3.072 0.705 1.00 0.00 O ATOM 87 CB PHE A 11 11.176 -3.862 1.041 1.00 0.00 C ATOM 88 CG PHE A 11 11.289 -5.394 1.130 1.00 0.00 C ATOM 89 CD1 PHE A 11 10.164 -6.216 1.019 1.00 0.00 C ATOM 90 CD2 PHE A 11 12.532 -6.011 1.304 1.00 0.00 C ATOM 91 CE1 PHE A 11 10.276 -7.594 1.077 1.00 0.00 C ATOM 92 CE2 PHE A 11 12.639 -7.389 1.366 1.00 0.00 C ATOM 93 CZ PHE A 11 11.514 -8.181 1.251 1.00 0.00 C ATOM 0 H PHE A 11 10.987 -4.743 3.419 1.00 0.00 H new ATOM 0 HA PHE A 11 10.641 -2.122 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.723 -3.605 0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.182 -3.442 1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.190 -5.768 0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.421 -5.403 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.394 -8.211 0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 11 13.607 -7.847 1.505 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.602 -9.256 1.297 1.00 0.00 H new ATOM 103 N VAL A 12 8.009 -3.179 2.922 1.00 0.00 N ATOM 104 CA VAL A 12 6.570 -2.914 2.816 1.00 0.00 C ATOM 105 C VAL A 12 6.313 -1.461 3.260 1.00 0.00 C ATOM 106 O VAL A 12 6.846 -1.026 4.289 1.00 0.00 O ATOM 107 CB VAL A 12 5.725 -3.893 3.711 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.202 -3.704 3.458 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.155 -5.366 3.491 1.00 0.00 C ATOM 0 H VAL A 12 8.319 -3.388 3.871 1.00 0.00 H new ATOM 0 HA VAL A 12 6.262 -3.070 1.782 1.00 0.00 H new ATOM 0 HB VAL A 12 5.921 -3.647 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.640 -4.393 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.918 -2.679 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.979 -3.908 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.553 -6.019 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.007 -5.636 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.208 -5.480 3.750 1.00 0.00 H new ATOM 119 N VAL A 13 5.532 -0.714 2.469 1.00 0.00 N ATOM 120 CA VAL A 13 5.049 0.644 2.812 1.00 0.00 C ATOM 121 C VAL A 13 3.518 0.653 2.954 1.00 0.00 C ATOM 122 O VAL A 13 2.841 -0.301 2.547 1.00 0.00 O ATOM 123 CB VAL A 13 5.483 1.694 1.720 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.016 1.865 1.701 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.947 1.313 0.309 1.00 0.00 C ATOM 0 H VAL A 13 5.209 -1.035 1.556 1.00 0.00 H new ATOM 0 HA VAL A 13 5.500 0.924 3.764 1.00 0.00 H new ATOM 0 HB VAL A 13 5.036 2.651 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.291 2.595 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.355 2.213 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.486 0.908 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.267 2.061 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.340 0.338 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.858 1.273 0.332 1.00 0.00 H new ATOM 135 N LYS A 14 2.973 1.757 3.510 1.00 0.00 N ATOM 136 CA LYS A 14 1.531 1.927 3.718 1.00 0.00 C ATOM 137 C LYS A 14 1.067 3.114 2.882 1.00 0.00 C ATOM 138 O LYS A 14 1.615 4.211 2.994 1.00 0.00 O ATOM 139 CB LYS A 14 1.135 2.151 5.208 1.00 0.00 C ATOM 140 CG LYS A 14 -0.396 2.055 5.439 1.00 0.00 C ATOM 141 CD LYS A 14 -0.849 2.391 6.870 1.00 0.00 C ATOM 142 CE LYS A 14 -0.759 3.894 7.199 1.00 0.00 C ATOM 143 NZ LYS A 14 -1.493 4.211 8.448 1.00 0.00 N ATOM 0 H LYS A 14 3.528 2.553 3.825 1.00 0.00 H new ATOM 0 HA LYS A 14 1.044 1.001 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.640 1.411 5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.487 3.131 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.898 2.729 4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.724 1.045 5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.878 2.057 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.236 1.833 7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.286 4.185 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.170 4.476 6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.023 4.999 8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.471 4.481 8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.501 3.376 9.067 1.00 0.00 H new ATOM 157 N VAL A 15 0.050 2.870 2.063 1.00 0.00 N ATOM 158 CA VAL A 15 -0.467 3.814 1.079 1.00 0.00 C ATOM 159 C VAL A 15 -1.793 4.352 1.596 1.00 0.00 C ATOM 160 O VAL A 15 -2.778 3.633 1.608 1.00 0.00 O ATOM 161 CB VAL A 15 -0.664 3.091 -0.300 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.858 4.093 -1.454 1.00 0.00 C ATOM 163 CG2 VAL A 15 0.504 2.130 -0.570 1.00 0.00 C ATOM 0 H VAL A 15 -0.453 1.983 2.066 1.00 0.00 H new ATOM 0 HA VAL A 15 0.233 4.636 0.931 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.581 2.505 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.991 3.549 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.740 4.704 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.019 4.736 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.354 1.636 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.439 2.691 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.549 1.381 0.221 1.00 0.00 H new ATOM 173 N ARG A 16 -1.796 5.609 2.011 1.00 0.00 N ATOM 174 CA ARG A 16 -2.884 6.232 2.776 1.00 0.00 C ATOM 175 C ARG A 16 -3.449 7.405 1.971 1.00 0.00 C ATOM 176 O ARG A 16 -2.697 8.111 1.330 1.00 0.00 O ATOM 177 CB ARG A 16 -2.323 6.711 4.138 1.00 0.00 C ATOM 178 CG ARG A 16 -3.388 7.207 5.132 1.00 0.00 C ATOM 179 CD ARG A 16 -2.767 7.706 6.444 1.00 0.00 C ATOM 180 NE ARG A 16 -3.795 7.986 7.456 1.00 0.00 N ATOM 181 CZ ARG A 16 -3.997 9.165 8.064 1.00 0.00 C ATOM 182 NH1 ARG A 16 -3.318 10.262 7.709 1.00 0.00 N ATOM 183 NH2 ARG A 16 -4.909 9.244 9.016 1.00 0.00 N ATOM 0 H ARG A 16 -1.024 6.248 1.824 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.688 5.519 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.771 5.891 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.609 7.515 3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.963 8.012 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.087 6.399 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.073 6.958 6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.188 8.609 6.253 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.410 7.216 7.720 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.628 10.214 6.960 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.491 11.146 8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.446 8.417 9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.076 10.132 9.489 1.00 0.00 H new ATOM 197 N GLY A 17 -4.768 7.615 2.014 1.00 0.00 N ATOM 198 CA GLY A 17 -5.420 8.648 1.191 1.00 0.00 C ATOM 199 C GLY A 17 -5.895 8.090 -0.142 1.00 0.00 C ATOM 200 O GLY A 17 -5.968 8.799 -1.153 1.00 0.00 O ATOM 0 H GLY A 17 -5.407 7.087 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.269 9.064 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.722 9.467 1.015 1.00 0.00 H new ATOM 204 N LEU A 18 -6.192 6.789 -0.128 1.00 0.00 N ATOM 205 CA LEU A 18 -6.783 6.076 -1.260 1.00 0.00 C ATOM 206 C LEU A 18 -8.314 6.194 -1.186 1.00 0.00 C ATOM 207 O LEU A 18 -8.872 6.193 -0.076 1.00 0.00 O ATOM 208 CB LEU A 18 -6.365 4.578 -1.224 1.00 0.00 C ATOM 209 CG LEU A 18 -4.834 4.297 -1.329 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.542 2.783 -1.226 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.243 4.907 -2.624 1.00 0.00 C ATOM 0 H LEU A 18 -6.026 6.193 0.683 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.427 6.515 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.733 4.140 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.867 4.061 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.341 4.783 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.468 2.614 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.902 2.407 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.050 2.259 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.175 4.696 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.738 4.469 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.400 5.986 -2.623 1.00 0.00 H new ATOM 223 N PRO A 19 -9.026 6.328 -2.353 1.00 0.00 N ATOM 224 CA PRO A 19 -10.495 6.179 -2.393 1.00 0.00 C ATOM 225 C PRO A 19 -10.908 4.737 -2.010 1.00 0.00 C ATOM 226 O PRO A 19 -10.181 3.781 -2.300 1.00 0.00 O ATOM 227 CB PRO A 19 -10.864 6.517 -3.869 1.00 0.00 C ATOM 228 CG PRO A 19 -9.596 6.301 -4.648 1.00 0.00 C ATOM 229 CD PRO A 19 -8.468 6.654 -3.700 1.00 0.00 C ATOM 0 HA PRO A 19 -11.012 6.826 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.665 5.873 -4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.214 7.545 -3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.515 5.268 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.571 6.930 -5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.570 6.075 -3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.194 7.706 -3.777 1.00 0.00 H new ATOM 237 N TRP A 20 -12.062 4.609 -1.341 1.00 0.00 N ATOM 238 CA TRP A 20 -12.641 3.318 -0.924 1.00 0.00 C ATOM 239 C TRP A 20 -12.746 2.339 -2.119 1.00 0.00 C ATOM 240 O TRP A 20 -12.341 1.176 -2.023 1.00 0.00 O ATOM 241 CB TRP A 20 -14.035 3.583 -0.301 1.00 0.00 C ATOM 242 CG TRP A 20 -14.771 2.353 0.175 1.00 0.00 C ATOM 243 CD1 TRP A 20 -14.580 1.685 1.350 1.00 0.00 C ATOM 244 CD2 TRP A 20 -15.815 1.654 -0.517 1.00 0.00 C ATOM 245 NE1 TRP A 20 -15.447 0.634 1.436 1.00 0.00 N ATOM 246 CE2 TRP A 20 -16.208 0.583 0.298 1.00 0.00 C ATOM 247 CE3 TRP A 20 -16.454 1.838 -1.747 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -17.209 -0.306 -0.073 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -17.447 0.955 -2.119 1.00 0.00 C ATOM 250 CH2 TRP A 20 -17.813 -0.112 -1.287 1.00 0.00 C ATOM 0 H TRP A 20 -12.631 5.411 -1.069 1.00 0.00 H new ATOM 0 HA TRP A 20 -11.990 2.849 -0.186 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -13.915 4.264 0.542 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.654 4.094 -1.039 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -13.850 1.949 2.101 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -15.517 -0.011 2.223 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -16.175 2.656 -2.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -17.501 -1.121 0.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -17.950 1.088 -3.066 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -18.586 -0.794 -1.609 1.00 0.00 H new ATOM 261 N SER A 21 -13.250 2.862 -3.244 1.00 0.00 N ATOM 262 CA SER A 21 -13.500 2.099 -4.477 1.00 0.00 C ATOM 263 C SER A 21 -12.295 2.160 -5.454 1.00 0.00 C ATOM 264 O SER A 21 -12.481 2.155 -6.679 1.00 0.00 O ATOM 265 CB SER A 21 -14.795 2.650 -5.131 1.00 0.00 C ATOM 266 OG SER A 21 -14.767 4.064 -5.223 1.00 0.00 O ATOM 0 H SER A 21 -13.501 3.847 -3.326 1.00 0.00 H new ATOM 0 HA SER A 21 -13.629 1.045 -4.231 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.912 2.221 -6.126 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.661 2.339 -4.546 1.00 0.00 H new ATOM 0 HG SER A 21 -15.595 4.381 -5.640 1.00 0.00 H new ATOM 272 N CYS A 22 -11.053 2.182 -4.915 1.00 0.00 N ATOM 273 CA CYS A 22 -9.815 2.102 -5.725 1.00 0.00 C ATOM 274 C CYS A 22 -9.604 0.662 -6.259 1.00 0.00 C ATOM 275 O CYS A 22 -10.499 -0.183 -6.162 1.00 0.00 O ATOM 276 CB CYS A 22 -8.617 2.542 -4.847 1.00 0.00 C ATOM 277 SG CYS A 22 -8.509 1.637 -3.286 1.00 0.00 S ATOM 0 H CYS A 22 -10.882 2.255 -3.912 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.898 2.764 -6.587 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -7.693 2.400 -5.407 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.701 3.608 -4.637 1.00 0.00 H new ATOM 0 HG CYS A 22 -7.704 0.626 -3.425 1.00 0.00 H new ATOM 283 N SER A 23 -8.428 0.403 -6.848 1.00 0.00 N ATOM 284 CA SER A 23 -8.002 -0.941 -7.286 1.00 0.00 C ATOM 285 C SER A 23 -6.484 -1.064 -7.115 1.00 0.00 C ATOM 286 O SER A 23 -5.774 -0.053 -7.122 1.00 0.00 O ATOM 287 CB SER A 23 -8.399 -1.203 -8.756 1.00 0.00 C ATOM 288 OG SER A 23 -9.796 -1.069 -8.941 1.00 0.00 O ATOM 0 H SER A 23 -7.735 1.127 -7.038 1.00 0.00 H new ATOM 0 HA SER A 23 -8.505 -1.688 -6.672 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.875 -0.504 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.086 -2.206 -9.047 1.00 0.00 H new ATOM 0 HG SER A 23 -10.019 -1.238 -9.880 1.00 0.00 H new ATOM 294 N ALA A 24 -6.005 -2.308 -6.951 1.00 0.00 N ATOM 295 CA ALA A 24 -4.568 -2.621 -6.810 1.00 0.00 C ATOM 296 C ALA A 24 -3.769 -2.155 -8.035 1.00 0.00 C ATOM 297 O ALA A 24 -2.651 -1.664 -7.895 1.00 0.00 O ATOM 298 CB ALA A 24 -4.369 -4.128 -6.548 1.00 0.00 C ATOM 0 H ALA A 24 -6.605 -3.132 -6.912 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.184 -2.072 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.305 -4.342 -6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.885 -4.409 -5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.776 -4.699 -7.382 1.00 0.00 H new ATOM 304 N ASP A 25 -4.366 -2.302 -9.239 1.00 0.00 N ATOM 305 CA ASP A 25 -3.780 -1.818 -10.512 1.00 0.00 C ATOM 306 C ASP A 25 -3.585 -0.292 -10.495 1.00 0.00 C ATOM 307 O ASP A 25 -2.590 0.213 -11.012 1.00 0.00 O ATOM 308 CB ASP A 25 -4.678 -2.214 -11.716 1.00 0.00 C ATOM 309 CG ASP A 25 -4.877 -3.737 -11.846 1.00 0.00 C ATOM 310 OD1 ASP A 25 -3.992 -4.426 -12.404 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.924 -4.252 -11.403 1.00 0.00 O ATOM 0 H ASP A 25 -5.270 -2.760 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.804 -2.291 -10.621 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.651 -1.734 -11.609 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.233 -1.832 -12.635 1.00 0.00 H new ATOM 316 N GLU A 26 -4.553 0.429 -9.903 1.00 0.00 N ATOM 317 CA GLU A 26 -4.521 1.902 -9.798 1.00 0.00 C ATOM 318 C GLU A 26 -3.390 2.360 -8.860 1.00 0.00 C ATOM 319 O GLU A 26 -2.679 3.325 -9.152 1.00 0.00 O ATOM 320 CB GLU A 26 -5.900 2.417 -9.300 1.00 0.00 C ATOM 321 CG GLU A 26 -7.101 2.004 -10.175 1.00 0.00 C ATOM 322 CD GLU A 26 -6.966 2.453 -11.637 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.095 3.668 -11.903 1.00 0.00 O ATOM 324 OE2 GLU A 26 -6.726 1.605 -12.523 1.00 0.00 O ATOM 0 H GLU A 26 -5.382 0.008 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.321 2.324 -10.783 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.064 2.051 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.867 3.505 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.210 0.920 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.012 2.428 -9.754 1.00 0.00 H new ATOM 331 N VAL A 27 -3.223 1.626 -7.744 1.00 0.00 N ATOM 332 CA VAL A 27 -2.170 1.901 -6.746 1.00 0.00 C ATOM 333 C VAL A 27 -0.787 1.564 -7.348 1.00 0.00 C ATOM 334 O VAL A 27 0.196 2.266 -7.109 1.00 0.00 O ATOM 335 CB VAL A 27 -2.413 1.093 -5.415 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.331 1.396 -4.354 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.822 1.372 -4.844 1.00 0.00 C ATOM 0 H VAL A 27 -3.812 0.827 -7.508 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.202 2.960 -6.491 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.345 0.035 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.535 0.819 -3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.351 1.123 -4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.343 2.459 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.962 0.801 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.923 2.436 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.576 1.076 -5.574 1.00 0.00 H new ATOM 347 N GLN A 28 -0.758 0.503 -8.179 1.00 0.00 N ATOM 348 CA GLN A 28 0.444 0.081 -8.926 1.00 0.00 C ATOM 349 C GLN A 28 0.901 1.194 -9.882 1.00 0.00 C ATOM 350 O GLN A 28 2.088 1.524 -9.931 1.00 0.00 O ATOM 351 CB GLN A 28 0.157 -1.230 -9.709 1.00 0.00 C ATOM 352 CG GLN A 28 1.307 -1.719 -10.620 1.00 0.00 C ATOM 353 CD GLN A 28 0.934 -2.922 -11.485 1.00 0.00 C ATOM 354 OE1 GLN A 28 -0.229 -3.124 -11.823 1.00 0.00 O ATOM 355 NE2 GLN A 28 1.924 -3.705 -11.883 1.00 0.00 N ATOM 0 H GLN A 28 -1.571 -0.088 -8.352 1.00 0.00 H new ATOM 0 HA GLN A 28 1.248 -0.110 -8.215 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.078 -2.018 -8.993 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.732 -1.081 -10.322 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.620 -0.900 -11.267 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.164 -1.980 -10.000 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.880 -3.510 -11.585 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.731 -4.503 -12.488 1.00 0.00 H new ATOM 364 N ARG A 29 -0.063 1.780 -10.621 1.00 0.00 N ATOM 365 CA ARG A 29 0.201 2.890 -11.553 1.00 0.00 C ATOM 366 C ARG A 29 0.709 4.134 -10.797 1.00 0.00 C ATOM 367 O ARG A 29 1.584 4.848 -11.296 1.00 0.00 O ATOM 368 CB ARG A 29 -1.080 3.228 -12.375 1.00 0.00 C ATOM 369 CG ARG A 29 -0.897 4.321 -13.461 1.00 0.00 C ATOM 370 CD ARG A 29 0.209 3.978 -14.484 1.00 0.00 C ATOM 371 NE ARG A 29 0.402 5.056 -15.486 1.00 0.00 N ATOM 372 CZ ARG A 29 1.589 5.444 -16.001 1.00 0.00 C ATOM 373 NH1 ARG A 29 2.730 4.883 -15.607 1.00 0.00 N ATOM 374 NH2 ARG A 29 1.623 6.410 -16.912 1.00 0.00 N ATOM 0 H ARG A 29 -1.042 1.497 -10.587 1.00 0.00 H new ATOM 0 HA ARG A 29 0.982 2.576 -12.246 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.435 2.316 -12.856 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.861 3.550 -11.686 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.840 4.463 -13.988 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.656 5.268 -12.978 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.147 3.802 -13.957 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.047 3.050 -14.996 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.431 5.545 -15.813 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.719 4.145 -14.903 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.615 5.191 -16.009 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.757 6.853 -17.218 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.515 6.709 -17.306 1.00 0.00 H new ATOM 388 N PHE A 30 0.164 4.376 -9.585 1.00 0.00 N ATOM 389 CA PHE A 30 0.639 5.450 -8.693 1.00 0.00 C ATOM 390 C PHE A 30 2.127 5.228 -8.331 1.00 0.00 C ATOM 391 O PHE A 30 2.919 6.176 -8.301 1.00 0.00 O ATOM 392 CB PHE A 30 -0.252 5.510 -7.415 1.00 0.00 C ATOM 393 CG PHE A 30 0.179 6.556 -6.386 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.135 7.901 -6.566 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.918 6.196 -5.255 1.00 0.00 C ATOM 396 CE1 PHE A 30 0.274 8.847 -5.651 1.00 0.00 C ATOM 397 CE2 PHE A 30 1.322 7.145 -4.341 1.00 0.00 C ATOM 398 CZ PHE A 30 1.002 8.473 -4.539 1.00 0.00 C ATOM 0 H PHE A 30 -0.612 3.836 -9.202 1.00 0.00 H new ATOM 0 HA PHE A 30 0.561 6.407 -9.209 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.280 5.716 -7.714 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.249 4.529 -6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.705 8.206 -7.431 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.176 5.159 -5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.024 9.886 -5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.889 6.850 -3.470 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.321 9.218 -3.825 1.00 0.00 H new ATOM 408 N PHE A 31 2.499 3.956 -8.095 1.00 0.00 N ATOM 409 CA PHE A 31 3.893 3.563 -7.804 1.00 0.00 C ATOM 410 C PHE A 31 4.672 3.220 -9.091 1.00 0.00 C ATOM 411 O PHE A 31 5.491 2.287 -9.100 1.00 0.00 O ATOM 412 CB PHE A 31 3.923 2.383 -6.786 1.00 0.00 C ATOM 413 CG PHE A 31 3.541 2.802 -5.368 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.449 3.494 -4.562 1.00 0.00 C ATOM 415 CD2 PHE A 31 2.282 2.544 -4.851 1.00 0.00 C ATOM 416 CE1 PHE A 31 4.102 3.899 -3.290 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.942 2.955 -3.584 1.00 0.00 C ATOM 418 CZ PHE A 31 2.850 3.632 -2.802 1.00 0.00 C ATOM 0 H PHE A 31 1.845 3.173 -8.100 1.00 0.00 H new ATOM 0 HA PHE A 31 4.396 4.418 -7.351 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.241 1.603 -7.124 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.923 1.948 -6.773 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.436 3.715 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.558 2.013 -5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.818 4.427 -2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.955 2.745 -3.199 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.577 3.952 -1.807 1.00 0.00 H new ATOM 428 N SER A 32 4.457 4.005 -10.170 1.00 0.00 N ATOM 429 CA SER A 32 5.275 3.908 -11.385 1.00 0.00 C ATOM 430 C SER A 32 6.662 4.551 -11.123 1.00 0.00 C ATOM 431 O SER A 32 6.878 5.734 -11.399 1.00 0.00 O ATOM 432 CB SER A 32 4.534 4.560 -12.573 1.00 0.00 C ATOM 433 OG SER A 32 4.044 5.852 -12.251 1.00 0.00 O ATOM 0 H SER A 32 3.722 4.711 -10.218 1.00 0.00 H new ATOM 0 HA SER A 32 5.440 2.863 -11.648 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.209 4.631 -13.426 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.703 3.923 -12.876 1.00 0.00 H new ATOM 0 HG SER A 32 3.142 5.776 -11.877 1.00 0.00 H new ATOM 439 N ASP A 33 7.570 3.708 -10.597 1.00 0.00 N ATOM 440 CA ASP A 33 8.897 4.055 -10.025 1.00 0.00 C ATOM 441 C ASP A 33 9.384 2.820 -9.263 1.00 0.00 C ATOM 442 O ASP A 33 10.481 2.316 -9.492 1.00 0.00 O ATOM 443 CB ASP A 33 8.900 5.276 -9.019 1.00 0.00 C ATOM 444 CG ASP A 33 9.151 6.657 -9.663 1.00 0.00 C ATOM 445 OD1 ASP A 33 10.200 6.830 -10.313 1.00 0.00 O ATOM 446 OD2 ASP A 33 8.305 7.568 -9.529 1.00 0.00 O ATOM 0 H ASP A 33 7.392 2.705 -10.554 1.00 0.00 H new ATOM 0 HA ASP A 33 9.534 4.354 -10.858 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.941 5.303 -8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.665 5.101 -8.262 1.00 0.00 H new ATOM 451 N CYS A 34 8.510 2.360 -8.354 1.00 0.00 N ATOM 452 CA CYS A 34 8.817 1.339 -7.349 1.00 0.00 C ATOM 453 C CYS A 34 8.540 -0.077 -7.898 1.00 0.00 C ATOM 454 O CYS A 34 7.436 -0.338 -8.394 1.00 0.00 O ATOM 455 CB CYS A 34 7.945 1.627 -6.105 1.00 0.00 C ATOM 456 SG CYS A 34 7.963 3.356 -5.573 1.00 0.00 S ATOM 0 H CYS A 34 7.549 2.698 -8.299 1.00 0.00 H new ATOM 0 HA CYS A 34 9.874 1.377 -7.086 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.917 1.335 -6.320 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.288 1.001 -5.281 1.00 0.00 H new ATOM 0 HG CYS A 34 8.814 3.502 -4.601 1.00 0.00 H new ATOM 462 N LYS A 35 9.540 -0.985 -7.799 1.00 0.00 N ATOM 463 CA LYS A 35 9.382 -2.399 -8.199 1.00 0.00 C ATOM 464 C LYS A 35 8.555 -3.113 -7.123 1.00 0.00 C ATOM 465 O LYS A 35 9.096 -3.502 -6.093 1.00 0.00 O ATOM 466 CB LYS A 35 10.750 -3.139 -8.356 1.00 0.00 C ATOM 467 CG LYS A 35 11.809 -2.529 -9.315 1.00 0.00 C ATOM 468 CD LYS A 35 11.360 -2.382 -10.797 1.00 0.00 C ATOM 469 CE LYS A 35 10.713 -1.014 -11.108 1.00 0.00 C ATOM 470 NZ LYS A 35 11.604 0.114 -10.732 1.00 0.00 N ATOM 0 H LYS A 35 10.469 -0.759 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 35 8.889 -2.419 -9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.202 -3.217 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.542 -4.155 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.091 -1.546 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.704 -3.151 -9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.224 -2.523 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.650 -3.174 -11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.480 -0.955 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.769 -0.927 -10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.110 0.738 -10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.467 -0.259 -10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.859 0.653 -11.584 1.00 0.00 H new ATOM 484 N ILE A 36 7.239 -3.199 -7.337 1.00 0.00 N ATOM 485 CA ILE A 36 6.323 -3.906 -6.428 1.00 0.00 C ATOM 486 C ILE A 36 6.501 -5.423 -6.623 1.00 0.00 C ATOM 487 O ILE A 36 6.769 -5.842 -7.756 1.00 0.00 O ATOM 488 CB ILE A 36 4.829 -3.472 -6.685 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.717 -1.914 -6.813 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.910 -3.986 -5.557 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.320 -1.394 -7.121 1.00 0.00 C ATOM 0 H ILE A 36 6.776 -2.782 -8.144 1.00 0.00 H new ATOM 0 HA ILE A 36 6.561 -3.645 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 36 4.504 -3.918 -7.625 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.060 -1.462 -5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.395 -1.579 -7.598 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.884 -3.676 -5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.958 -5.074 -5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.238 -3.572 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.344 -0.306 -7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.977 -1.811 -8.068 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.637 -1.692 -6.325 1.00 0.00 H new ATOM 503 N GLN A 37 6.309 -6.208 -5.521 1.00 0.00 N ATOM 504 CA GLN A 37 6.586 -7.674 -5.430 1.00 0.00 C ATOM 505 C GLN A 37 6.191 -8.428 -6.722 1.00 0.00 C ATOM 506 O GLN A 37 7.059 -8.884 -7.466 1.00 0.00 O ATOM 507 CB GLN A 37 5.841 -8.289 -4.197 1.00 0.00 C ATOM 508 CG GLN A 37 5.924 -9.832 -4.107 1.00 0.00 C ATOM 509 CD GLN A 37 4.864 -10.450 -3.200 1.00 0.00 C ATOM 510 OE1 GLN A 37 5.228 -10.825 -1.988 1.00 0.00 O flip ATOM 511 NE2 GLN A 37 3.724 -10.633 -3.621 1.00 0.00 N flip ATOM 0 H GLN A 37 5.947 -5.826 -4.647 1.00 0.00 H new ATOM 0 HA GLN A 37 7.662 -7.792 -5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.257 -7.861 -3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.792 -7.995 -4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.823 -10.252 -5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.912 -10.113 -3.742 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.474 -10.332 -4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.028 -11.086 -3.029 1.00 0.00 H new ATOM 520 N ASN A 38 4.878 -8.515 -6.998 1.00 0.00 N ATOM 521 CA ASN A 38 4.356 -9.026 -8.283 1.00 0.00 C ATOM 522 C ASN A 38 3.349 -8.009 -8.855 1.00 0.00 C ATOM 523 O ASN A 38 2.219 -8.359 -9.215 1.00 0.00 O ATOM 524 CB ASN A 38 3.716 -10.440 -8.112 1.00 0.00 C ATOM 525 CG ASN A 38 4.715 -11.516 -7.656 1.00 0.00 C ATOM 526 OD1 ASN A 38 4.709 -11.846 -6.369 1.00 0.00 O flip ATOM 527 ND2 ASN A 38 5.460 -12.061 -8.461 1.00 0.00 N flip ATOM 0 H ASN A 38 4.149 -8.235 -6.341 1.00 0.00 H new ATOM 0 HA ASN A 38 5.179 -9.142 -8.988 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.905 -10.377 -7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.272 -10.746 -9.059 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.440 -11.784 -9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.100 -12.791 -8.150 1.00 0.00 H new ATOM 534 N GLY A 39 3.790 -6.734 -8.922 1.00 0.00 N ATOM 535 CA GLY A 39 2.958 -5.639 -9.436 1.00 0.00 C ATOM 536 C GLY A 39 1.741 -5.377 -8.554 1.00 0.00 C ATOM 537 O GLY A 39 1.882 -5.269 -7.342 1.00 0.00 O ATOM 0 H GLY A 39 4.721 -6.443 -8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.557 -4.731 -9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.627 -5.880 -10.446 1.00 0.00 H new ATOM 541 N ALA A 40 0.532 -5.344 -9.148 1.00 0.00 N ATOM 542 CA ALA A 40 -0.733 -5.149 -8.405 1.00 0.00 C ATOM 543 C ALA A 40 -1.032 -6.327 -7.450 1.00 0.00 C ATOM 544 O ALA A 40 -1.763 -6.172 -6.470 1.00 0.00 O ATOM 545 CB ALA A 40 -1.887 -4.949 -9.401 1.00 0.00 C ATOM 0 H ALA A 40 0.403 -5.451 -10.154 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.629 -4.259 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.819 -4.805 -8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.688 -4.072 -10.016 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.973 -5.828 -10.040 1.00 0.00 H new ATOM 551 N GLN A 41 -0.440 -7.503 -7.750 1.00 0.00 N ATOM 552 CA GLN A 41 -0.578 -8.711 -6.905 1.00 0.00 C ATOM 553 C GLN A 41 0.284 -8.605 -5.621 1.00 0.00 C ATOM 554 O GLN A 41 0.054 -9.340 -4.664 1.00 0.00 O ATOM 555 CB GLN A 41 -0.203 -9.984 -7.713 1.00 0.00 C ATOM 556 CG GLN A 41 -1.029 -10.210 -9.005 1.00 0.00 C ATOM 557 CD GLN A 41 -2.539 -10.301 -8.765 1.00 0.00 C ATOM 558 OE1 GLN A 41 -3.080 -11.382 -8.526 1.00 0.00 O ATOM 559 NE2 GLN A 41 -3.227 -9.170 -8.842 1.00 0.00 N ATOM 0 H GLN A 41 0.142 -7.643 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.621 -8.787 -6.598 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.852 -9.928 -7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.323 -10.854 -7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.829 -9.394 -9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.691 -11.128 -9.485 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.746 -8.293 -9.042 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.237 -9.177 -8.701 1.00 0.00 H new ATOM 568 N GLY A 42 1.265 -7.676 -5.623 1.00 0.00 N ATOM 569 CA GLY A 42 2.084 -7.381 -4.431 1.00 0.00 C ATOM 570 C GLY A 42 1.532 -6.200 -3.624 1.00 0.00 C ATOM 571 O GLY A 42 2.283 -5.491 -2.938 1.00 0.00 O ATOM 0 H GLY A 42 1.508 -7.117 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.127 -8.265 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.106 -7.161 -4.740 1.00 0.00 H new ATOM 575 N ILE A 43 0.198 -6.024 -3.697 1.00 0.00 N ATOM 576 CA ILE A 43 -0.551 -4.929 -3.051 1.00 0.00 C ATOM 577 C ILE A 43 -1.738 -5.542 -2.283 1.00 0.00 C ATOM 578 O ILE A 43 -2.458 -6.380 -2.820 1.00 0.00 O ATOM 579 CB ILE A 43 -1.070 -3.870 -4.102 1.00 0.00 C ATOM 580 CG1 ILE A 43 0.130 -3.279 -4.910 1.00 0.00 C ATOM 581 CG2 ILE A 43 -1.908 -2.750 -3.421 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.233 -2.210 -5.919 1.00 0.00 C ATOM 0 H ILE A 43 -0.405 -6.658 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 43 0.115 -4.400 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.734 -4.379 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.850 -2.861 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.631 -4.094 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.248 -2.040 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.771 -3.193 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.293 -2.231 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.669 -1.866 -6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.926 -2.622 -6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.704 -1.371 -5.407 1.00 0.00 H new ATOM 594 N ARG A 44 -1.900 -5.131 -1.015 1.00 0.00 N ATOM 595 CA ARG A 44 -2.893 -5.718 -0.083 1.00 0.00 C ATOM 596 C ARG A 44 -3.528 -4.603 0.761 1.00 0.00 C ATOM 597 O ARG A 44 -2.897 -4.105 1.689 1.00 0.00 O ATOM 598 CB ARG A 44 -2.263 -6.796 0.872 1.00 0.00 C ATOM 599 CG ARG A 44 -1.255 -7.799 0.252 1.00 0.00 C ATOM 600 CD ARG A 44 0.175 -7.229 0.206 1.00 0.00 C ATOM 601 NE ARG A 44 1.111 -8.113 -0.499 1.00 0.00 N ATOM 602 CZ ARG A 44 2.399 -8.275 -0.179 1.00 0.00 C ATOM 603 NH1 ARG A 44 2.907 -7.695 0.908 1.00 0.00 N ATOM 604 NH2 ARG A 44 3.174 -9.032 -0.940 1.00 0.00 N ATOM 0 H ARG A 44 -1.347 -4.381 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.647 -6.219 -0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.760 -6.273 1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.077 -7.368 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.259 -8.722 0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.575 -8.056 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.159 -6.256 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.531 -7.066 1.223 1.00 0.00 H new ATOM 0 HE ARG A 44 0.752 -8.644 -1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.312 -7.121 1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.891 -7.825 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.788 -9.489 -1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.157 -9.159 -0.700 1.00 0.00 H new ATOM 618 N PHE A 45 -4.763 -4.220 0.428 1.00 0.00 N ATOM 619 CA PHE A 45 -5.502 -3.155 1.140 1.00 0.00 C ATOM 620 C PHE A 45 -5.877 -3.621 2.549 1.00 0.00 C ATOM 621 O PHE A 45 -6.138 -4.810 2.748 1.00 0.00 O ATOM 622 CB PHE A 45 -6.775 -2.760 0.355 1.00 0.00 C ATOM 623 CG PHE A 45 -6.487 -2.217 -1.041 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.203 -3.077 -2.103 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.481 -0.845 -1.291 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.929 -2.586 -3.360 1.00 0.00 C ATOM 627 CE2 PHE A 45 -6.202 -0.359 -2.548 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.928 -1.227 -3.581 1.00 0.00 C ATOM 0 H PHE A 45 -5.286 -4.635 -0.343 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.856 -2.281 1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.424 -3.631 0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.323 -2.008 0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.198 -4.144 -1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.698 -0.156 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.715 -3.266 -4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.198 0.706 -2.725 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.712 -0.841 -4.566 1.00 0.00 H new ATOM 638 N ILE A 46 -5.884 -2.695 3.525 1.00 0.00 N ATOM 639 CA ILE A 46 -6.296 -3.005 4.900 1.00 0.00 C ATOM 640 C ILE A 46 -7.821 -3.163 4.908 1.00 0.00 C ATOM 641 O ILE A 46 -8.563 -2.172 4.992 1.00 0.00 O ATOM 642 CB ILE A 46 -5.841 -1.890 5.909 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.318 -1.591 5.745 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.175 -2.282 7.374 1.00 0.00 C ATOM 645 CD1 ILE A 46 -3.778 -0.472 6.625 1.00 0.00 C ATOM 0 H ILE A 46 -5.607 -1.724 3.383 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.817 -3.928 5.226 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.397 -0.981 5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.760 -2.502 5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.124 -1.337 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.847 -1.489 8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.251 -2.423 7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.662 -3.209 7.629 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.712 -0.343 6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.302 0.456 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.932 -0.727 7.673 1.00 0.00 H new ATOM 657 N TYR A 47 -8.268 -4.413 4.708 1.00 0.00 N ATOM 658 CA TYR A 47 -9.690 -4.748 4.649 1.00 0.00 C ATOM 659 C TYR A 47 -10.266 -4.811 6.064 1.00 0.00 C ATOM 660 O TYR A 47 -9.574 -5.186 7.024 1.00 0.00 O ATOM 661 CB TYR A 47 -9.931 -6.103 3.923 1.00 0.00 C ATOM 662 CG TYR A 47 -9.369 -6.164 2.499 1.00 0.00 C ATOM 663 CD1 TYR A 47 -9.849 -5.311 1.502 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.351 -7.065 2.156 1.00 0.00 C ATOM 665 CE1 TYR A 47 -9.338 -5.356 0.221 1.00 0.00 C ATOM 666 CE2 TYR A 47 -7.835 -7.107 0.877 1.00 0.00 C ATOM 667 CZ TYR A 47 -8.330 -6.253 -0.086 1.00 0.00 C ATOM 668 OH TYR A 47 -7.803 -6.286 -1.359 1.00 0.00 O ATOM 0 H TYR A 47 -7.651 -5.215 4.583 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.194 -3.968 4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.482 -6.903 4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.003 -6.297 3.887 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.632 -4.606 1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.964 -7.738 2.906 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.724 -4.693 -0.540 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.048 -7.805 0.632 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.104 -6.971 -1.406 1.00 0.00 H new ATOM 678 N THR A 48 -11.530 -4.423 6.177 1.00 0.00 N ATOM 679 CA THR A 48 -12.318 -4.612 7.387 1.00 0.00 C ATOM 680 C THR A 48 -12.928 -6.027 7.377 1.00 0.00 C ATOM 681 O THR A 48 -12.704 -6.803 6.436 1.00 0.00 O ATOM 682 CB THR A 48 -13.437 -3.521 7.459 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.268 -3.593 6.282 1.00 0.00 O ATOM 684 CG2 THR A 48 -12.844 -2.097 7.588 1.00 0.00 C ATOM 0 H THR A 48 -12.041 -3.964 5.423 1.00 0.00 H new ATOM 0 HA THR A 48 -11.684 -4.511 8.268 1.00 0.00 H new ATOM 0 HB THR A 48 -14.034 -3.718 8.349 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.056 -3.024 6.403 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.654 -1.369 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.245 -2.033 8.497 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.215 -1.885 6.723 1.00 0.00 H new ATOM 692 N ARG A 49 -13.707 -6.358 8.414 1.00 0.00 N ATOM 693 CA ARG A 49 -14.478 -7.617 8.460 1.00 0.00 C ATOM 694 C ARG A 49 -15.724 -7.567 7.540 1.00 0.00 C ATOM 695 O ARG A 49 -16.514 -8.510 7.517 1.00 0.00 O ATOM 696 CB ARG A 49 -14.856 -7.974 9.922 1.00 0.00 C ATOM 697 CG ARG A 49 -13.678 -8.517 10.765 1.00 0.00 C ATOM 698 CD ARG A 49 -14.123 -9.005 12.153 1.00 0.00 C ATOM 699 NE ARG A 49 -13.076 -9.765 12.855 1.00 0.00 N ATOM 700 CZ ARG A 49 -13.201 -10.273 14.083 1.00 0.00 C ATOM 701 NH1 ARG A 49 -14.322 -10.105 14.784 1.00 0.00 N ATOM 702 NH2 ARG A 49 -12.221 -10.980 14.599 1.00 0.00 N ATOM 0 H ARG A 49 -13.824 -5.771 9.240 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.840 -8.412 8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.258 -7.086 10.409 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.652 -8.718 9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.201 -9.338 10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.928 -7.735 10.882 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.410 -8.146 12.760 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.009 -9.631 12.046 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.192 -9.914 12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.101 -9.582 14.383 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.401 -10.500 15.721 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.369 -11.139 14.062 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.312 -11.370 15.537 1.00 0.00 H new ATOM 716 N GLU A 50 -15.874 -6.477 6.770 1.00 0.00 N ATOM 717 CA GLU A 50 -16.871 -6.375 5.687 1.00 0.00 C ATOM 718 C GLU A 50 -16.176 -6.565 4.316 1.00 0.00 C ATOM 719 O GLU A 50 -16.841 -6.597 3.280 1.00 0.00 O ATOM 720 CB GLU A 50 -17.580 -4.994 5.757 1.00 0.00 C ATOM 721 CG GLU A 50 -18.355 -4.729 7.066 1.00 0.00 C ATOM 722 CD GLU A 50 -19.518 -5.710 7.298 1.00 0.00 C ATOM 723 OE1 GLU A 50 -20.575 -5.555 6.647 1.00 0.00 O ATOM 724 OE2 GLU A 50 -19.383 -6.639 8.119 1.00 0.00 O ATOM 0 H GLU A 50 -15.306 -5.637 6.880 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.621 -7.157 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.833 -4.211 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.272 -4.914 4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.664 -4.791 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.746 -3.712 7.048 1.00 0.00 H new ATOM 731 N GLY A 51 -14.829 -6.684 4.337 1.00 0.00 N ATOM 732 CA GLY A 51 -14.019 -6.815 3.121 1.00 0.00 C ATOM 733 C GLY A 51 -13.868 -5.496 2.380 1.00 0.00 C ATOM 734 O GLY A 51 -13.888 -5.458 1.150 1.00 0.00 O ATOM 0 H GLY A 51 -14.282 -6.691 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.032 -7.196 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.478 -7.550 2.459 1.00 0.00 H new ATOM 738 N ARG A 52 -13.727 -4.405 3.150 1.00 0.00 N ATOM 739 CA ARG A 52 -13.711 -3.021 2.622 1.00 0.00 C ATOM 740 C ARG A 52 -12.385 -2.312 2.970 1.00 0.00 C ATOM 741 O ARG A 52 -11.972 -2.349 4.133 1.00 0.00 O ATOM 742 CB ARG A 52 -14.916 -2.232 3.197 1.00 0.00 C ATOM 743 CG ARG A 52 -16.296 -2.750 2.730 1.00 0.00 C ATOM 744 CD ARG A 52 -17.461 -1.966 3.352 1.00 0.00 C ATOM 745 NE ARG A 52 -18.771 -2.455 2.886 1.00 0.00 N ATOM 746 CZ ARG A 52 -19.861 -2.611 3.649 1.00 0.00 C ATOM 747 NH1 ARG A 52 -19.818 -2.379 4.959 1.00 0.00 N ATOM 748 NH2 ARG A 52 -20.994 -3.012 3.097 1.00 0.00 N ATOM 0 H ARG A 52 -13.620 -4.453 4.163 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.792 -3.060 1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.875 -2.272 4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.819 -1.184 2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.357 -2.683 1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.392 -3.804 2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.411 -2.044 4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.360 -0.910 3.104 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.855 -2.695 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.947 -2.078 5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.657 -2.502 5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -21.035 -3.201 2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.827 -3.133 3.673 1.00 0.00 H new ATOM 762 N PRO A 53 -11.693 -1.657 1.965 1.00 0.00 N ATOM 763 CA PRO A 53 -10.463 -0.861 2.213 1.00 0.00 C ATOM 764 C PRO A 53 -10.717 0.320 3.178 1.00 0.00 C ATOM 765 O PRO A 53 -11.673 1.087 2.995 1.00 0.00 O ATOM 766 CB PRO A 53 -10.051 -0.356 0.794 1.00 0.00 C ATOM 767 CG PRO A 53 -10.725 -1.302 -0.153 1.00 0.00 C ATOM 768 CD PRO A 53 -12.039 -1.658 0.515 1.00 0.00 C ATOM 0 HA PRO A 53 -9.684 -1.451 2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.377 0.671 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.969 -0.371 0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.890 -0.837 -1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.116 -2.190 -0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.818 -0.930 0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.406 -2.631 0.189 1.00 0.00 H new ATOM 776 N SER A 54 -9.837 0.465 4.182 1.00 0.00 N ATOM 777 CA SER A 54 -9.936 1.505 5.230 1.00 0.00 C ATOM 778 C SER A 54 -9.436 2.899 4.753 1.00 0.00 C ATOM 779 O SER A 54 -9.258 3.814 5.571 1.00 0.00 O ATOM 780 CB SER A 54 -9.114 1.023 6.448 1.00 0.00 C ATOM 781 OG SER A 54 -7.767 0.775 6.078 1.00 0.00 O ATOM 0 H SER A 54 -9.025 -0.142 4.294 1.00 0.00 H new ATOM 0 HA SER A 54 -10.986 1.640 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.147 1.775 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.557 0.115 6.856 1.00 0.00 H new ATOM 0 HG SER A 54 -7.235 0.597 6.881 1.00 0.00 H new ATOM 787 N GLY A 55 -9.234 3.058 3.430 1.00 0.00 N ATOM 788 CA GLY A 55 -8.630 4.267 2.863 1.00 0.00 C ATOM 789 C GLY A 55 -7.108 4.173 2.796 1.00 0.00 C ATOM 790 O GLY A 55 -6.446 5.063 2.255 1.00 0.00 O ATOM 0 H GLY A 55 -9.485 2.355 2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.027 4.434 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.913 5.130 3.466 1.00 0.00 H new ATOM 794 N GLU A 56 -6.560 3.090 3.381 1.00 0.00 N ATOM 795 CA GLU A 56 -5.131 2.776 3.346 1.00 0.00 C ATOM 796 C GLU A 56 -4.884 1.293 2.996 1.00 0.00 C ATOM 797 O GLU A 56 -5.790 0.449 3.077 1.00 0.00 O ATOM 798 CB GLU A 56 -4.437 3.208 4.678 1.00 0.00 C ATOM 799 CG GLU A 56 -5.253 2.947 5.959 1.00 0.00 C ATOM 800 CD GLU A 56 -4.553 3.462 7.229 1.00 0.00 C ATOM 801 OE1 GLU A 56 -4.452 4.700 7.413 1.00 0.00 O ATOM 802 OE2 GLU A 56 -4.056 2.646 8.026 1.00 0.00 O ATOM 0 H GLU A 56 -7.111 2.404 3.896 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.672 3.355 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.485 2.683 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.210 4.273 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.227 3.427 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.433 1.876 6.058 1.00 0.00 H new ATOM 809 N ALA A 57 -3.630 1.019 2.599 1.00 0.00 N ATOM 810 CA ALA A 57 -3.195 -0.268 2.024 1.00 0.00 C ATOM 811 C ALA A 57 -1.737 -0.547 2.370 1.00 0.00 C ATOM 812 O ALA A 57 -1.046 0.319 2.862 1.00 0.00 O ATOM 813 CB ALA A 57 -3.369 -0.242 0.493 1.00 0.00 C ATOM 0 H ALA A 57 -2.873 1.699 2.670 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.811 -1.061 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.046 -1.195 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.418 -0.075 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.766 0.562 0.072 1.00 0.00 H new ATOM 819 N PHE A 58 -1.288 -1.777 2.129 1.00 0.00 N ATOM 820 CA PHE A 58 0.125 -2.167 2.231 1.00 0.00 C ATOM 821 C PHE A 58 0.645 -2.659 0.864 1.00 0.00 C ATOM 822 O PHE A 58 0.220 -3.706 0.371 1.00 0.00 O ATOM 823 CB PHE A 58 0.306 -3.277 3.295 1.00 0.00 C ATOM 824 CG PHE A 58 0.022 -2.843 4.733 1.00 0.00 C ATOM 825 CD1 PHE A 58 0.789 -1.849 5.333 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.983 -3.444 5.494 1.00 0.00 C ATOM 827 CE1 PHE A 58 0.562 -1.470 6.642 1.00 0.00 C ATOM 828 CE2 PHE A 58 -1.209 -3.058 6.802 1.00 0.00 C ATOM 829 CZ PHE A 58 -0.433 -2.069 7.375 1.00 0.00 C ATOM 0 H PHE A 58 -1.900 -2.545 1.853 1.00 0.00 H new ATOM 0 HA PHE A 58 0.701 -1.293 2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.352 -4.110 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.328 -3.651 3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.573 -1.367 4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.592 -4.221 5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.170 -0.699 7.091 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.993 -3.530 7.376 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.608 -1.768 8.397 1.00 0.00 H new ATOM 839 N VAL A 59 1.550 -1.880 0.264 1.00 0.00 N ATOM 840 CA VAL A 59 2.301 -2.255 -0.945 1.00 0.00 C ATOM 841 C VAL A 59 3.664 -2.805 -0.510 1.00 0.00 C ATOM 842 O VAL A 59 4.232 -2.333 0.469 1.00 0.00 O ATOM 843 CB VAL A 59 2.463 -1.019 -1.915 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.491 -1.263 -3.049 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.093 -0.630 -2.512 1.00 0.00 C ATOM 0 H VAL A 59 1.788 -0.951 0.610 1.00 0.00 H new ATOM 0 HA VAL A 59 1.758 -3.020 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 59 2.853 -0.198 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.555 -0.376 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.469 -1.471 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.173 -2.114 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.216 0.223 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.687 -1.473 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.407 -0.365 -1.707 1.00 0.00 H new ATOM 855 N GLU A 60 4.199 -3.775 -1.257 1.00 0.00 N ATOM 856 CA GLU A 60 5.458 -4.441 -0.907 1.00 0.00 C ATOM 857 C GLU A 60 6.377 -4.351 -2.113 1.00 0.00 C ATOM 858 O GLU A 60 5.916 -4.465 -3.239 1.00 0.00 O ATOM 859 CB GLU A 60 5.234 -5.910 -0.519 1.00 0.00 C ATOM 860 CG GLU A 60 6.509 -6.618 -0.027 1.00 0.00 C ATOM 861 CD GLU A 60 6.276 -8.079 0.347 1.00 0.00 C ATOM 862 OE1 GLU A 60 5.696 -8.339 1.419 1.00 0.00 O ATOM 863 OE2 GLU A 60 6.638 -8.967 -0.440 1.00 0.00 O ATOM 0 H GLU A 60 3.774 -4.120 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 60 5.901 -3.949 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.476 -5.959 0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.839 -6.448 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.270 -6.565 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.902 -6.086 0.839 1.00 0.00 H new ATOM 870 N LEU A 61 7.677 -4.188 -1.873 1.00 0.00 N ATOM 871 CA LEU A 61 8.649 -3.811 -2.909 1.00 0.00 C ATOM 872 C LEU A 61 9.839 -4.779 -2.875 1.00 0.00 C ATOM 873 O LEU A 61 10.187 -5.285 -1.818 1.00 0.00 O ATOM 874 CB LEU A 61 9.069 -2.328 -2.682 1.00 0.00 C ATOM 875 CG LEU A 61 7.863 -1.311 -2.669 1.00 0.00 C ATOM 876 CD1 LEU A 61 8.270 0.086 -2.203 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.169 -1.244 -4.042 1.00 0.00 C ATOM 0 H LEU A 61 8.092 -4.314 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 61 8.211 -3.885 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.603 -2.254 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.768 -2.036 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 61 7.151 -1.695 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.399 0.742 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.668 0.030 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.033 0.484 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.343 -0.534 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.886 -0.920 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.786 -2.230 -4.305 1.00 0.00 H new ATOM 889 N GLU A 62 10.431 -5.069 -4.044 1.00 0.00 N ATOM 890 CA GLU A 62 11.507 -6.078 -4.173 1.00 0.00 C ATOM 891 C GLU A 62 12.848 -5.589 -3.578 1.00 0.00 C ATOM 892 O GLU A 62 13.728 -6.395 -3.273 1.00 0.00 O ATOM 893 CB GLU A 62 11.679 -6.480 -5.658 1.00 0.00 C ATOM 894 CG GLU A 62 10.407 -7.055 -6.315 1.00 0.00 C ATOM 895 CD GLU A 62 10.705 -7.783 -7.639 1.00 0.00 C ATOM 896 OE1 GLU A 62 11.008 -8.998 -7.600 1.00 0.00 O ATOM 897 OE2 GLU A 62 10.663 -7.146 -8.713 1.00 0.00 O ATOM 0 H GLU A 62 10.183 -4.617 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 62 11.209 -6.953 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.001 -5.606 -6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.477 -7.219 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.926 -7.747 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.700 -6.246 -6.500 1.00 0.00 H new ATOM 904 N SER A 63 12.984 -4.265 -3.407 1.00 0.00 N ATOM 905 CA SER A 63 14.185 -3.633 -2.822 1.00 0.00 C ATOM 906 C SER A 63 13.766 -2.374 -2.053 1.00 0.00 C ATOM 907 O SER A 63 12.759 -1.739 -2.397 1.00 0.00 O ATOM 908 CB SER A 63 15.220 -3.278 -3.923 1.00 0.00 C ATOM 909 OG SER A 63 15.593 -4.424 -4.672 1.00 0.00 O ATOM 0 H SER A 63 12.261 -3.595 -3.671 1.00 0.00 H new ATOM 0 HA SER A 63 14.659 -4.337 -2.139 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.800 -2.526 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 63 16.105 -2.838 -3.464 1.00 0.00 H new ATOM 0 HG SER A 63 16.244 -4.169 -5.358 1.00 0.00 H new ATOM 915 N GLU A 64 14.538 -2.009 -1.014 1.00 0.00 N ATOM 916 CA GLU A 64 14.223 -0.841 -0.181 1.00 0.00 C ATOM 917 C GLU A 64 14.688 0.483 -0.851 1.00 0.00 C ATOM 918 O GLU A 64 14.425 1.579 -0.339 1.00 0.00 O ATOM 919 CB GLU A 64 14.773 -1.017 1.262 1.00 0.00 C ATOM 920 CG GLU A 64 14.176 -0.007 2.270 1.00 0.00 C ATOM 921 CD GLU A 64 14.457 -0.325 3.738 1.00 0.00 C ATOM 922 OE1 GLU A 64 15.622 -0.206 4.168 1.00 0.00 O ATOM 923 OE2 GLU A 64 13.504 -0.643 4.490 1.00 0.00 O ATOM 0 H GLU A 64 15.383 -2.507 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 64 13.139 -0.770 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.560 -2.030 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.857 -0.907 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.570 0.984 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.097 0.037 2.122 1.00 0.00 H new ATOM 930 N ASP A 65 15.359 0.371 -2.018 1.00 0.00 N ATOM 931 CA ASP A 65 15.609 1.528 -2.913 1.00 0.00 C ATOM 932 C ASP A 65 14.255 2.073 -3.384 1.00 0.00 C ATOM 933 O ASP A 65 13.978 3.272 -3.321 1.00 0.00 O ATOM 934 CB ASP A 65 16.450 1.122 -4.160 1.00 0.00 C ATOM 935 CG ASP A 65 17.705 0.323 -3.813 1.00 0.00 C ATOM 936 OD1 ASP A 65 18.689 0.917 -3.335 1.00 0.00 O ATOM 937 OD2 ASP A 65 17.711 -0.912 -4.005 1.00 0.00 O ATOM 0 H ASP A 65 15.739 -0.510 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 65 16.171 2.280 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.827 0.532 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.740 2.022 -4.702 1.00 0.00 H new ATOM 942 N GLU A 66 13.441 1.131 -3.868 1.00 0.00 N ATOM 943 CA GLU A 66 12.054 1.362 -4.291 1.00 0.00 C ATOM 944 C GLU A 66 11.186 1.955 -3.160 1.00 0.00 C ATOM 945 O GLU A 66 10.260 2.717 -3.433 1.00 0.00 O ATOM 946 CB GLU A 66 11.453 0.029 -4.823 1.00 0.00 C ATOM 947 CG GLU A 66 12.374 -0.732 -5.809 1.00 0.00 C ATOM 948 CD GLU A 66 12.917 0.151 -6.948 1.00 0.00 C ATOM 949 OE1 GLU A 66 12.140 0.498 -7.859 1.00 0.00 O ATOM 950 OE2 GLU A 66 14.110 0.516 -6.930 1.00 0.00 O ATOM 0 H GLU A 66 13.735 0.161 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 66 12.058 2.104 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.231 -0.620 -3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.506 0.242 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.213 -1.156 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.821 -1.567 -6.239 1.00 0.00 H new ATOM 957 N VAL A 67 11.492 1.601 -1.896 1.00 0.00 N ATOM 958 CA VAL A 67 10.793 2.147 -0.710 1.00 0.00 C ATOM 959 C VAL A 67 11.072 3.644 -0.560 1.00 0.00 C ATOM 960 O VAL A 67 10.178 4.400 -0.240 1.00 0.00 O ATOM 961 CB VAL A 67 11.196 1.372 0.590 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.677 2.054 1.880 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.712 -0.089 0.513 1.00 0.00 C ATOM 0 H VAL A 67 12.227 0.932 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 67 9.722 2.012 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 67 12.284 1.387 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.986 1.473 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.090 3.060 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.589 2.110 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.999 -0.616 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.627 -0.108 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.167 -0.578 -0.348 1.00 0.00 H new ATOM 973 N LYS A 68 12.323 4.046 -0.778 1.00 0.00 N ATOM 974 CA LYS A 68 12.715 5.478 -0.794 1.00 0.00 C ATOM 975 C LYS A 68 11.893 6.266 -1.851 1.00 0.00 C ATOM 976 O LYS A 68 11.445 7.384 -1.591 1.00 0.00 O ATOM 977 CB LYS A 68 14.228 5.610 -1.072 1.00 0.00 C ATOM 978 CG LYS A 68 15.124 4.769 -0.142 1.00 0.00 C ATOM 979 CD LYS A 68 16.602 4.755 -0.596 1.00 0.00 C ATOM 980 CE LYS A 68 17.433 3.724 0.169 1.00 0.00 C ATOM 981 NZ LYS A 68 18.828 3.654 -0.325 1.00 0.00 N ATOM 0 H LYS A 68 13.097 3.404 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 68 12.500 5.906 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.422 5.318 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.512 6.658 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.063 5.165 0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.748 3.746 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.650 4.538 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.034 5.746 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.437 3.977 1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.967 2.743 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.355 2.943 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.827 3.387 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.283 4.583 -0.214 1.00 0.00 H new ATOM 995 N LEU A 69 11.687 5.647 -3.034 1.00 0.00 N ATOM 996 CA LEU A 69 10.858 6.217 -4.128 1.00 0.00 C ATOM 997 C LEU A 69 9.361 6.239 -3.737 1.00 0.00 C ATOM 998 O LEU A 69 8.612 7.122 -4.161 1.00 0.00 O ATOM 999 CB LEU A 69 11.056 5.393 -5.431 1.00 0.00 C ATOM 1000 CG LEU A 69 12.532 5.188 -5.899 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.593 4.353 -7.197 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.278 6.538 -6.037 1.00 0.00 C ATOM 0 H LEU A 69 12.089 4.738 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 69 11.180 7.244 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.602 4.412 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.507 5.885 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 69 13.052 4.621 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.632 4.226 -7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.144 3.375 -7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.046 4.868 -7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.302 6.356 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.768 7.162 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.290 7.047 -5.073 1.00 0.00 H new ATOM 1014 N ALA A 70 8.957 5.235 -2.939 1.00 0.00 N ATOM 1015 CA ALA A 70 7.580 5.092 -2.427 1.00 0.00 C ATOM 1016 C ALA A 70 7.250 6.212 -1.420 1.00 0.00 C ATOM 1017 O ALA A 70 6.245 6.899 -1.563 1.00 0.00 O ATOM 1018 CB ALA A 70 7.381 3.703 -1.793 1.00 0.00 C ATOM 0 H ALA A 70 9.582 4.492 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 70 6.891 5.184 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.360 3.616 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.562 2.932 -2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.080 3.577 -0.966 1.00 0.00 H new ATOM 1024 N LEU A 71 8.122 6.373 -0.404 1.00 0.00 N ATOM 1025 CA LEU A 71 8.011 7.415 0.646 1.00 0.00 C ATOM 1026 C LEU A 71 8.065 8.825 0.043 1.00 0.00 C ATOM 1027 O LEU A 71 7.509 9.762 0.601 1.00 0.00 O ATOM 1028 CB LEU A 71 9.153 7.251 1.691 1.00 0.00 C ATOM 1029 CG LEU A 71 9.252 5.869 2.406 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.402 5.842 3.440 1.00 0.00 C ATOM 1031 CD2 LEU A 71 7.906 5.467 3.031 1.00 0.00 C ATOM 0 H LEU A 71 8.939 5.774 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 71 7.046 7.288 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.102 7.445 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.031 8.021 2.453 1.00 0.00 H new ATOM 0 HG LEU A 71 9.492 5.123 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.439 4.863 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.349 6.036 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.229 6.608 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.007 4.499 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.607 6.216 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.148 5.400 2.251 1.00 0.00 H new ATOM 1043 N LYS A 72 8.756 8.942 -1.105 1.00 0.00 N ATOM 1044 CA LYS A 72 8.894 10.183 -1.865 1.00 0.00 C ATOM 1045 C LYS A 72 7.527 10.620 -2.461 1.00 0.00 C ATOM 1046 O LYS A 72 7.294 11.806 -2.709 1.00 0.00 O ATOM 1047 CB LYS A 72 9.954 9.946 -2.981 1.00 0.00 C ATOM 1048 CG LYS A 72 10.497 11.213 -3.652 1.00 0.00 C ATOM 1049 CD LYS A 72 11.661 10.930 -4.640 1.00 0.00 C ATOM 1050 CE LYS A 72 11.218 10.125 -5.875 1.00 0.00 C ATOM 1051 NZ LYS A 72 10.275 10.898 -6.723 1.00 0.00 N ATOM 0 H LYS A 72 9.242 8.155 -1.534 1.00 0.00 H new ATOM 0 HA LYS A 72 9.224 10.992 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.791 9.395 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.513 9.310 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.687 11.709 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.841 11.905 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.092 11.877 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.447 10.383 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.093 9.848 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.743 9.198 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.104 10.383 -7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.376 11.024 -6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.685 11.830 -6.937 1.00 0.00 H new ATOM 1065 N LYS A 73 6.631 9.631 -2.665 1.00 0.00 N ATOM 1066 CA LYS A 73 5.275 9.839 -3.219 1.00 0.00 C ATOM 1067 C LYS A 73 4.237 10.263 -2.161 1.00 0.00 C ATOM 1068 O LYS A 73 3.046 10.370 -2.484 1.00 0.00 O ATOM 1069 CB LYS A 73 4.799 8.550 -3.933 1.00 0.00 C ATOM 1070 CG LYS A 73 5.645 8.163 -5.155 1.00 0.00 C ATOM 1071 CD LYS A 73 5.248 6.795 -5.744 1.00 0.00 C ATOM 1072 CE LYS A 73 6.070 6.435 -6.986 1.00 0.00 C ATOM 1073 NZ LYS A 73 5.816 7.375 -8.110 1.00 0.00 N ATOM 0 H LYS A 73 6.831 8.655 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 73 5.351 10.664 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.812 7.726 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.764 8.683 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.539 8.929 -5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.697 8.140 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.382 6.023 -4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.189 6.807 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.131 6.447 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.828 5.420 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.722 7.715 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.289 6.885 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.259 8.184 -7.767 1.00 0.00 H new ATOM 1087 N ASP A 74 4.687 10.533 -0.919 1.00 0.00 N ATOM 1088 CA ASP A 74 3.824 11.018 0.190 1.00 0.00 C ATOM 1089 C ASP A 74 3.125 12.376 -0.095 1.00 0.00 C ATOM 1090 O ASP A 74 2.368 12.862 0.752 1.00 0.00 O ATOM 1091 CB ASP A 74 4.665 11.126 1.491 1.00 0.00 C ATOM 1092 CG ASP A 74 5.635 12.327 1.491 1.00 0.00 C ATOM 1093 OD1 ASP A 74 6.479 12.428 0.577 1.00 0.00 O ATOM 1094 OD2 ASP A 74 5.561 13.170 2.406 1.00 0.00 O ATOM 0 H ASP A 74 5.665 10.422 -0.650 1.00 0.00 H new ATOM 0 HA ASP A 74 3.025 10.284 0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.992 11.211 2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.235 10.207 1.624 1.00 0.00 H new ATOM 1099 N ARG A 75 3.400 12.993 -1.264 1.00 0.00 N ATOM 1100 CA ARG A 75 2.742 14.245 -1.697 1.00 0.00 C ATOM 1101 C ARG A 75 2.005 14.072 -3.034 1.00 0.00 C ATOM 1102 O ARG A 75 1.100 14.854 -3.333 1.00 0.00 O ATOM 1103 CB ARG A 75 3.772 15.401 -1.796 1.00 0.00 C ATOM 1104 CG ARG A 75 4.441 15.787 -0.459 1.00 0.00 C ATOM 1105 CD ARG A 75 5.375 17.000 -0.607 1.00 0.00 C ATOM 1106 NE ARG A 75 4.646 18.215 -1.030 1.00 0.00 N ATOM 1107 CZ ARG A 75 5.190 19.284 -1.621 1.00 0.00 C ATOM 1108 NH1 ARG A 75 6.466 19.293 -1.987 1.00 0.00 N ATOM 1109 NH2 ARG A 75 4.435 20.335 -1.871 1.00 0.00 N ATOM 0 H ARG A 75 4.083 12.638 -1.933 1.00 0.00 H new ATOM 0 HA ARG A 75 1.999 14.498 -0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.549 15.117 -2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.273 16.280 -2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.671 16.011 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.009 14.937 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.875 17.190 0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.152 16.772 -1.336 1.00 0.00 H new ATOM 0 HE ARG A 75 3.641 18.240 -0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.051 18.474 -1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.862 20.119 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.448 20.327 -1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.838 21.157 -2.321 1.00 0.00 H new ATOM 1123 N GLU A 76 2.425 13.092 -3.858 1.00 0.00 N ATOM 1124 CA GLU A 76 1.815 12.832 -5.188 1.00 0.00 C ATOM 1125 C GLU A 76 0.304 12.501 -5.100 1.00 0.00 C ATOM 1126 O GLU A 76 -0.164 11.916 -4.114 1.00 0.00 O ATOM 1127 CB GLU A 76 2.578 11.690 -5.905 1.00 0.00 C ATOM 1128 CG GLU A 76 4.113 11.855 -5.963 1.00 0.00 C ATOM 1129 CD GLU A 76 4.590 13.133 -6.666 1.00 0.00 C ATOM 1130 OE1 GLU A 76 4.723 14.178 -6.000 1.00 0.00 O ATOM 1131 OE2 GLU A 76 4.852 13.093 -7.883 1.00 0.00 O ATOM 0 H GLU A 76 3.191 12.459 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 76 1.901 13.751 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.349 10.751 -5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.200 11.606 -6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.505 11.847 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.539 10.993 -6.476 1.00 0.00 H new ATOM 1138 N THR A 77 -0.442 12.888 -6.153 1.00 0.00 N ATOM 1139 CA THR A 77 -1.899 12.705 -6.236 1.00 0.00 C ATOM 1140 C THR A 77 -2.239 11.459 -7.067 1.00 0.00 C ATOM 1141 O THR A 77 -1.758 11.317 -8.199 1.00 0.00 O ATOM 1142 CB THR A 77 -2.587 13.956 -6.883 1.00 0.00 C ATOM 1143 OG1 THR A 77 -1.997 14.239 -8.161 1.00 0.00 O ATOM 1144 CG2 THR A 77 -2.473 15.196 -5.990 1.00 0.00 C ATOM 0 H THR A 77 -0.044 13.340 -6.976 1.00 0.00 H new ATOM 0 HA THR A 77 -2.273 12.579 -5.220 1.00 0.00 H new ATOM 0 HB THR A 77 -3.644 13.718 -7.004 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.741 13.399 -8.596 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.963 16.040 -6.475 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.954 15.000 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.421 15.431 -5.827 1.00 0.00 H new ATOM 1152 N MET A 78 -3.056 10.556 -6.494 1.00 0.00 N ATOM 1153 CA MET A 78 -3.543 9.358 -7.200 1.00 0.00 C ATOM 1154 C MET A 78 -4.532 9.775 -8.320 1.00 0.00 C ATOM 1155 O MET A 78 -4.159 9.825 -9.499 1.00 0.00 O ATOM 1156 CB MET A 78 -4.192 8.381 -6.191 1.00 0.00 C ATOM 1157 CG MET A 78 -4.505 6.983 -6.733 1.00 0.00 C ATOM 1158 SD MET A 78 -5.409 5.994 -5.525 1.00 0.00 S ATOM 1159 CE MET A 78 -5.391 4.382 -6.292 1.00 0.00 C ATOM 0 H MET A 78 -3.395 10.636 -5.535 1.00 0.00 H new ATOM 0 HA MET A 78 -2.707 8.840 -7.671 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.528 8.278 -5.333 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.118 8.826 -5.826 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.092 7.069 -7.647 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.576 6.477 -6.997 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.686 3.628 -5.562 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.089 4.370 -7.129 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.387 4.163 -6.654 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.788 10.086 -7.940 1.00 0.00 N ATOM 1170 CA GLY A 79 -6.769 10.691 -8.846 1.00 0.00 C ATOM 1171 C GLY A 79 -7.414 11.890 -8.185 1.00 0.00 C ATOM 1172 O GLY A 79 -8.428 11.742 -7.491 1.00 0.00 O ATOM 0 H GLY A 79 -6.144 9.923 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.282 10.995 -9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.531 9.958 -9.112 1.00 0.00 H new ATOM 1176 N HIS A 80 -6.782 13.071 -8.383 1.00 0.00 N ATOM 1177 CA HIS A 80 -7.132 14.370 -7.745 1.00 0.00 C ATOM 1178 C HIS A 80 -6.650 14.422 -6.276 1.00 0.00 C ATOM 1179 O HIS A 80 -5.917 15.339 -5.891 1.00 0.00 O ATOM 1180 CB HIS A 80 -8.649 14.719 -7.850 1.00 0.00 C ATOM 1181 CG HIS A 80 -9.170 14.824 -9.261 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -9.665 13.746 -9.959 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -9.280 15.882 -10.094 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -10.056 14.137 -11.155 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -9.838 15.432 -11.267 1.00 0.00 N ATOM 0 H HIS A 80 -5.985 13.152 -9.014 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.602 15.136 -8.310 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.222 13.958 -7.320 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.828 15.665 -7.339 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.983 16.898 -9.877 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.484 13.502 -11.917 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.048 16.004 -12.085 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.054 13.420 -5.471 1.00 0.00 N ATOM 1195 CA ARG A 81 -6.721 13.331 -4.038 1.00 0.00 C ATOM 1196 C ARG A 81 -5.224 13.019 -3.826 1.00 0.00 C ATOM 1197 O ARG A 81 -4.622 12.277 -4.606 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.606 12.240 -3.366 1.00 0.00 C ATOM 1199 CG ARG A 81 -7.406 12.095 -1.838 1.00 0.00 C ATOM 1200 CD ARG A 81 -8.271 10.990 -1.215 1.00 0.00 C ATOM 1201 NE ARG A 81 -9.709 11.250 -1.380 1.00 0.00 N ATOM 1202 CZ ARG A 81 -10.692 10.555 -0.799 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -10.422 9.578 0.070 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -11.948 10.868 -1.072 1.00 0.00 N ATOM 0 H ARG A 81 -7.626 12.643 -5.802 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.922 14.297 -3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.653 12.470 -3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.397 11.280 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.356 11.883 -1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.639 13.045 -1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.022 10.033 -1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.039 10.904 -0.154 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.978 12.024 -1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.454 9.352 0.299 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.184 9.057 0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.155 11.630 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.710 10.347 -0.637 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.670 13.561 -2.728 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.259 13.401 -2.344 1.00 0.00 C ATOM 1220 C TYR A 82 -3.114 12.107 -1.535 1.00 0.00 C ATOM 1221 O TYR A 82 -3.999 11.769 -0.737 1.00 0.00 O ATOM 1222 CB TYR A 82 -2.779 14.610 -1.492 1.00 0.00 C ATOM 1223 CG TYR A 82 -2.702 15.939 -2.260 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -3.849 16.681 -2.551 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -1.480 16.439 -2.709 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -3.773 17.867 -3.253 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -1.399 17.615 -3.413 1.00 0.00 C ATOM 1228 CZ TYR A 82 -2.545 18.330 -3.686 1.00 0.00 C ATOM 1229 OH TYR A 82 -2.462 19.506 -4.405 1.00 0.00 O ATOM 0 H TYR A 82 -5.201 14.133 -2.071 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.645 13.354 -3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.454 14.733 -0.645 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.794 14.383 -1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.812 16.320 -2.221 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.576 15.888 -2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.670 18.431 -3.463 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.440 17.979 -3.752 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.525 19.686 -4.630 1.00 0.00 H new ATOM 1239 N VAL A 83 -2.005 11.391 -1.743 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.721 10.113 -1.063 1.00 0.00 C ATOM 1241 C VAL A 83 -0.419 10.230 -0.257 1.00 0.00 C ATOM 1242 O VAL A 83 0.592 10.714 -0.768 1.00 0.00 O ATOM 1243 CB VAL A 83 -1.621 8.933 -2.102 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -1.154 7.608 -1.446 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -2.968 8.734 -2.839 1.00 0.00 C ATOM 0 H VAL A 83 -1.272 11.679 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.543 9.892 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.861 9.214 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.101 6.826 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.169 7.750 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.863 7.316 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.875 7.914 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.748 8.499 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.230 9.649 -3.371 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.490 9.799 1.009 1.00 0.00 N ATOM 1256 CA GLU A 84 0.638 9.721 1.945 1.00 0.00 C ATOM 1257 C GLU A 84 1.212 8.306 1.898 1.00 0.00 C ATOM 1258 O GLU A 84 0.462 7.342 1.787 1.00 0.00 O ATOM 1259 CB GLU A 84 0.137 9.994 3.387 1.00 0.00 C ATOM 1260 CG GLU A 84 -0.614 11.321 3.581 1.00 0.00 C ATOM 1261 CD GLU A 84 -1.393 11.350 4.910 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -2.538 10.855 4.943 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -0.850 11.828 5.923 1.00 0.00 O ATOM 0 H GLU A 84 -1.367 9.484 1.424 1.00 0.00 H new ATOM 0 HA GLU A 84 1.393 10.457 1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.519 9.177 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.994 9.978 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.097 12.147 3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.305 11.472 2.752 1.00 0.00 H new ATOM 1270 N VAL A 85 2.533 8.181 1.981 1.00 0.00 N ATOM 1271 CA VAL A 85 3.207 6.873 2.020 1.00 0.00 C ATOM 1272 C VAL A 85 4.205 6.863 3.190 1.00 0.00 C ATOM 1273 O VAL A 85 5.077 7.724 3.255 1.00 0.00 O ATOM 1274 CB VAL A 85 3.944 6.537 0.668 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.524 5.098 0.692 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.021 6.741 -0.567 1.00 0.00 C ATOM 0 H VAL A 85 3.171 8.976 2.023 1.00 0.00 H new ATOM 0 HA VAL A 85 2.449 6.103 2.162 1.00 0.00 H new ATOM 0 HB VAL A 85 4.772 7.239 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.027 4.893 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.238 5.007 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.715 4.382 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.571 6.498 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.152 6.089 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.693 7.780 -0.608 1.00 0.00 H new ATOM 1286 N PHE A 86 4.052 5.885 4.112 1.00 0.00 N ATOM 1287 CA PHE A 86 4.895 5.739 5.326 1.00 0.00 C ATOM 1288 C PHE A 86 5.492 4.325 5.347 1.00 0.00 C ATOM 1289 O PHE A 86 4.849 3.386 4.875 1.00 0.00 O ATOM 1290 CB PHE A 86 4.057 5.968 6.617 1.00 0.00 C ATOM 1291 CG PHE A 86 3.394 7.339 6.711 1.00 0.00 C ATOM 1292 CD1 PHE A 86 4.145 8.473 7.017 1.00 0.00 C ATOM 1293 CD2 PHE A 86 2.016 7.491 6.515 1.00 0.00 C ATOM 1294 CE1 PHE A 86 3.546 9.713 7.118 1.00 0.00 C ATOM 1295 CE2 PHE A 86 1.417 8.732 6.617 1.00 0.00 C ATOM 1296 CZ PHE A 86 2.184 9.842 6.921 1.00 0.00 C ATOM 0 H PHE A 86 3.333 5.166 4.035 1.00 0.00 H new ATOM 0 HA PHE A 86 5.688 6.486 5.297 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.284 5.201 6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.705 5.832 7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.209 8.380 7.177 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.413 6.626 6.281 1.00 0.00 H new ATOM 0 HE1 PHE A 86 4.142 10.583 7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.353 8.835 6.460 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.717 10.812 7.005 1.00 0.00 H new ATOM 1306 N LYS A 87 6.721 4.172 5.877 1.00 0.00 N ATOM 1307 CA LYS A 87 7.366 2.849 5.983 1.00 0.00 C ATOM 1308 C LYS A 87 6.632 1.972 7.017 1.00 0.00 C ATOM 1309 O LYS A 87 6.504 2.347 8.186 1.00 0.00 O ATOM 1310 CB LYS A 87 8.878 2.958 6.325 1.00 0.00 C ATOM 1311 CG LYS A 87 9.586 1.576 6.438 1.00 0.00 C ATOM 1312 CD LYS A 87 11.119 1.667 6.630 1.00 0.00 C ATOM 1313 CE LYS A 87 11.839 2.255 5.400 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.315 2.186 5.526 1.00 0.00 N ATOM 0 H LYS A 87 7.284 4.943 6.236 1.00 0.00 H new ATOM 0 HA LYS A 87 7.295 2.374 5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.375 3.551 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.992 3.495 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.157 1.027 7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.377 0.998 5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.336 2.284 7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.515 0.673 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.527 1.714 4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.536 3.293 5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.749 2.915 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.587 2.347 6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.646 1.247 5.224 1.00 0.00 H new ATOM 1328 N SER A 88 6.138 0.825 6.540 1.00 0.00 N ATOM 1329 CA SER A 88 5.386 -0.134 7.358 1.00 0.00 C ATOM 1330 C SER A 88 6.333 -1.103 8.069 1.00 0.00 C ATOM 1331 O SER A 88 6.403 -1.086 9.301 1.00 0.00 O ATOM 1332 CB SER A 88 4.349 -0.899 6.509 1.00 0.00 C ATOM 1333 OG SER A 88 3.425 -0.011 5.937 1.00 0.00 O ATOM 0 H SER A 88 6.249 0.533 5.569 1.00 0.00 H new ATOM 0 HA SER A 88 4.843 0.428 8.118 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.857 -1.459 5.724 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.826 -1.625 7.132 1.00 0.00 H new ATOM 0 HG SER A 88 2.529 -0.405 5.970 1.00 0.00 H new ATOM 1339 N ASN A 89 7.096 -1.884 7.254 1.00 0.00 N ATOM 1340 CA ASN A 89 7.829 -3.110 7.660 1.00 0.00 C ATOM 1341 C ASN A 89 6.847 -4.301 7.632 1.00 0.00 C ATOM 1342 O ASN A 89 5.648 -4.136 7.874 1.00 0.00 O ATOM 1343 CB ASN A 89 8.578 -2.984 9.033 1.00 0.00 C ATOM 1344 CG ASN A 89 9.345 -4.242 9.490 1.00 0.00 C ATOM 1345 OD1 ASN A 89 9.844 -5.023 8.673 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.442 -4.441 10.802 1.00 0.00 N ATOM 0 H ASN A 89 7.219 -1.667 6.265 1.00 0.00 H new ATOM 0 HA ASN A 89 8.632 -3.276 6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.282 -2.154 8.968 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.850 -2.725 9.802 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.939 -5.257 11.159 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.019 -3.778 11.451 1.00 0.00 H new ATOM 1353 N ASN A 90 7.377 -5.498 7.312 1.00 0.00 N ATOM 1354 CA ASN A 90 6.585 -6.736 7.098 1.00 0.00 C ATOM 1355 C ASN A 90 5.735 -7.112 8.332 1.00 0.00 C ATOM 1356 O ASN A 90 4.622 -7.627 8.200 1.00 0.00 O ATOM 1357 CB ASN A 90 7.546 -7.901 6.735 1.00 0.00 C ATOM 1358 CG ASN A 90 6.833 -9.137 6.186 1.00 0.00 C ATOM 1359 OD1 ASN A 90 5.821 -9.027 5.497 1.00 0.00 O ATOM 1360 ND2 ASN A 90 7.358 -10.318 6.474 1.00 0.00 N ATOM 0 H ASN A 90 8.380 -5.639 7.192 1.00 0.00 H new ATOM 0 HA ASN A 90 5.890 -6.551 6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.266 -7.550 5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.112 -8.183 7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.922 -11.170 6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.199 -10.376 7.049 1.00 0.00 H new ATOM 1367 N VAL A 91 6.286 -6.824 9.526 1.00 0.00 N ATOM 1368 CA VAL A 91 5.636 -7.111 10.820 1.00 0.00 C ATOM 1369 C VAL A 91 4.346 -6.270 10.973 1.00 0.00 C ATOM 1370 O VAL A 91 3.308 -6.781 11.411 1.00 0.00 O ATOM 1371 CB VAL A 91 6.611 -6.831 12.029 1.00 0.00 C ATOM 1372 CG1 VAL A 91 5.973 -7.244 13.381 1.00 0.00 C ATOM 1373 CG2 VAL A 91 7.983 -7.517 11.812 1.00 0.00 C ATOM 0 H VAL A 91 7.201 -6.383 9.621 1.00 0.00 H new ATOM 0 HA VAL A 91 5.376 -8.170 10.833 1.00 0.00 H new ATOM 0 HB VAL A 91 6.785 -5.756 12.071 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.672 -7.037 14.191 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.056 -6.676 13.539 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.742 -8.309 13.364 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.633 -7.306 12.661 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.841 -8.594 11.722 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.441 -7.134 10.900 1.00 0.00 H new ATOM 1383 N GLU A 92 4.439 -4.987 10.565 1.00 0.00 N ATOM 1384 CA GLU A 92 3.313 -4.020 10.618 1.00 0.00 C ATOM 1385 C GLU A 92 2.215 -4.417 9.629 1.00 0.00 C ATOM 1386 O GLU A 92 1.028 -4.388 9.966 1.00 0.00 O ATOM 1387 CB GLU A 92 3.824 -2.581 10.311 1.00 0.00 C ATOM 1388 CG GLU A 92 2.754 -1.448 10.343 1.00 0.00 C ATOM 1389 CD GLU A 92 2.204 -1.073 11.741 1.00 0.00 C ATOM 1390 OE1 GLU A 92 2.540 -1.733 12.758 1.00 0.00 O ATOM 1391 OE2 GLU A 92 1.423 -0.093 11.827 1.00 0.00 O ATOM 0 H GLU A 92 5.298 -4.587 10.188 1.00 0.00 H new ATOM 0 HA GLU A 92 2.892 -4.035 11.623 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.605 -2.334 11.030 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.288 -2.586 9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.186 -0.554 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.916 -1.749 9.714 1.00 0.00 H new ATOM 1398 N MET A 93 2.643 -4.801 8.416 1.00 0.00 N ATOM 1399 CA MET A 93 1.745 -5.273 7.343 1.00 0.00 C ATOM 1400 C MET A 93 0.864 -6.431 7.835 1.00 0.00 C ATOM 1401 O MET A 93 -0.367 -6.368 7.768 1.00 0.00 O ATOM 1402 CB MET A 93 2.583 -5.700 6.105 1.00 0.00 C ATOM 1403 CG MET A 93 1.764 -6.184 4.883 1.00 0.00 C ATOM 1404 SD MET A 93 1.107 -7.862 5.023 1.00 0.00 S ATOM 1405 CE MET A 93 2.613 -8.822 5.103 1.00 0.00 C ATOM 0 H MET A 93 3.627 -4.794 8.148 1.00 0.00 H new ATOM 0 HA MET A 93 1.084 -4.456 7.054 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.200 -4.856 5.796 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.262 -6.498 6.405 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.933 -5.496 4.725 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.395 -6.130 3.996 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.399 -9.857 4.837 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.344 -8.411 4.406 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.016 -8.784 6.115 1.00 0.00 H new ATOM 1415 N ASP A 94 1.535 -7.445 8.382 1.00 0.00 N ATOM 1416 CA ASP A 94 0.910 -8.687 8.850 1.00 0.00 C ATOM 1417 C ASP A 94 -0.082 -8.409 10.000 1.00 0.00 C ATOM 1418 O ASP A 94 -1.247 -8.816 9.945 1.00 0.00 O ATOM 1419 CB ASP A 94 2.020 -9.666 9.313 1.00 0.00 C ATOM 1420 CG ASP A 94 1.472 -11.034 9.744 1.00 0.00 C ATOM 1421 OD1 ASP A 94 1.337 -11.929 8.884 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.160 -11.220 10.941 1.00 0.00 O ATOM 0 H ASP A 94 2.546 -7.428 8.516 1.00 0.00 H new ATOM 0 HA ASP A 94 0.346 -9.134 8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.735 -9.806 8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.566 -9.221 10.145 1.00 0.00 H new ATOM 1427 N TRP A 95 0.408 -7.686 11.015 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.303 -7.458 12.288 1.00 0.00 C ATOM 1429 C TRP A 95 -1.610 -6.651 12.081 1.00 0.00 C ATOM 1430 O TRP A 95 -2.694 -7.080 12.491 1.00 0.00 O ATOM 1431 CB TRP A 95 0.660 -6.728 13.273 1.00 0.00 C ATOM 1432 CG TRP A 95 0.277 -6.831 14.731 1.00 0.00 C ATOM 1433 CD1 TRP A 95 0.475 -7.912 15.545 1.00 0.00 C ATOM 1434 CD2 TRP A 95 -0.358 -5.836 15.546 1.00 0.00 C ATOM 1435 NE1 TRP A 95 0.037 -7.637 16.812 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -0.485 -6.378 16.837 1.00 0.00 C ATOM 1437 CE3 TRP A 95 -0.822 -4.542 15.313 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 -1.059 -5.676 17.889 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 -1.397 -3.848 16.362 1.00 0.00 C ATOM 1440 CH2 TRP A 95 -1.509 -4.415 17.635 1.00 0.00 C ATOM 0 H TRP A 95 1.322 -7.235 10.979 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.598 -8.420 12.708 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.663 -7.135 13.146 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.707 -5.674 12.998 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.914 -8.848 15.233 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.092 -8.271 17.609 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.734 -4.092 14.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.146 -6.114 18.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.767 -2.847 16.194 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -1.961 -3.843 18.432 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.474 -5.512 11.397 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.566 -4.536 11.177 1.00 0.00 C ATOM 1453 C VAL A 96 -3.671 -5.088 10.257 1.00 0.00 C ATOM 1454 O VAL A 96 -4.862 -4.996 10.584 1.00 0.00 O ATOM 1455 CB VAL A 96 -1.979 -3.209 10.573 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.080 -2.220 10.108 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.021 -2.546 11.580 1.00 0.00 C ATOM 0 H VAL A 96 -0.592 -5.230 10.970 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.023 -4.335 12.146 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.420 -3.480 9.678 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.614 -1.323 9.700 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.692 -2.692 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.708 -1.949 10.957 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.620 -1.628 11.151 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.562 -2.312 12.497 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.202 -3.228 11.806 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.254 -5.658 9.114 1.00 0.00 N ATOM 1468 CA LEU A 97 -4.178 -6.093 8.042 1.00 0.00 C ATOM 1469 C LEU A 97 -5.044 -7.277 8.532 1.00 0.00 C ATOM 1470 O LEU A 97 -6.259 -7.303 8.318 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.367 -6.469 6.762 1.00 0.00 C ATOM 1472 CG LEU A 97 -4.034 -6.161 5.378 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -3.067 -6.482 4.230 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -5.395 -6.876 5.184 1.00 0.00 C ATOM 0 H LEU A 97 -2.271 -5.832 8.903 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.850 -5.273 7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.412 -5.946 6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.148 -7.536 6.802 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.252 -5.093 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.548 -6.262 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.167 -5.875 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.798 -7.538 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.804 -6.621 4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.252 -7.955 5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.088 -6.556 5.962 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.391 -8.232 9.228 1.00 0.00 N ATOM 1487 CA LYS A 98 -5.055 -9.434 9.799 1.00 0.00 C ATOM 1488 C LYS A 98 -5.960 -9.080 11.001 1.00 0.00 C ATOM 1489 O LYS A 98 -6.665 -9.944 11.533 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.979 -10.488 10.180 1.00 0.00 C ATOM 1491 CG LYS A 98 -3.455 -11.317 8.983 1.00 0.00 C ATOM 1492 CD LYS A 98 -2.113 -12.065 9.240 1.00 0.00 C ATOM 1493 CE LYS A 98 -2.009 -12.779 10.611 1.00 0.00 C ATOM 1494 NZ LYS A 98 -1.607 -11.843 11.699 1.00 0.00 N ATOM 0 H LYS A 98 -3.388 -8.196 9.412 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.712 -9.860 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.138 -9.979 10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.398 -11.167 10.923 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.214 -12.048 8.706 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.326 -10.653 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.970 -12.804 8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.295 -11.349 9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.970 -13.231 10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.283 -13.590 10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.102 -12.369 12.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.983 -11.107 11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.455 -11.399 12.106 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.913 -7.810 11.431 1.00 0.00 N ATOM 1509 CA HIS A 99 -6.869 -7.249 12.393 1.00 0.00 C ATOM 1510 C HIS A 99 -7.959 -6.516 11.588 1.00 0.00 C ATOM 1511 O HIS A 99 -8.902 -7.175 11.132 1.00 0.00 O ATOM 1512 CB HIS A 99 -6.165 -6.341 13.445 1.00 0.00 C ATOM 1513 CG HIS A 99 -5.210 -7.062 14.353 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -4.458 -6.421 15.303 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -4.877 -8.378 14.446 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -3.713 -7.300 15.936 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -3.949 -8.493 15.437 1.00 0.00 N ATOM 0 H HIS A 99 -5.208 -7.142 11.119 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.332 -8.041 12.981 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.624 -5.553 12.921 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.927 -5.854 14.053 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.275 -9.183 13.845 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -3.021 -7.078 16.735 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.510 -9.362 15.742 1.00 0.00 H new ATOM 1526 N THR A 100 -7.783 -5.186 11.351 1.00 0.00 N ATOM 1527 CA THR A 100 -8.743 -4.336 10.596 1.00 0.00 C ATOM 1528 C THR A 100 -8.351 -2.846 10.708 1.00 0.00 C ATOM 1529 O THR A 100 -8.542 -2.070 9.759 1.00 0.00 O ATOM 1530 CB THR A 100 -10.247 -4.515 11.060 1.00 0.00 C ATOM 1531 OG1 THR A 100 -11.104 -3.650 10.306 1.00 0.00 O ATOM 1532 CG2 THR A 100 -10.448 -4.269 12.573 1.00 0.00 C ATOM 0 H THR A 100 -6.966 -4.672 11.681 1.00 0.00 H new ATOM 0 HA THR A 100 -8.683 -4.669 9.560 1.00 0.00 H new ATOM 0 HB THR A 100 -10.510 -5.556 10.871 1.00 0.00 H new ATOM 0 HG1 THR A 100 -12.031 -3.770 10.600 1.00 0.00 H new ATOM 0 HG21 THR A 100 -11.499 -4.407 12.828 1.00 0.00 H new ATOM 0 HG22 THR A 100 -9.841 -4.975 13.140 1.00 0.00 H new ATOM 0 HG23 THR A 100 -10.146 -3.251 12.819 1.00 0.00 H new ATOM 1540 N GLY A 101 -7.817 -2.457 11.883 1.00 0.00 N ATOM 1541 CA GLY A 101 -7.477 -1.056 12.179 1.00 0.00 C ATOM 1542 C GLY A 101 -5.971 -0.815 12.256 1.00 0.00 C ATOM 1543 O GLY A 101 -5.225 -1.757 12.549 1.00 0.00 O ATOM 0 H GLY A 101 -7.612 -3.102 12.646 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.904 -0.413 11.409 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.935 -0.768 13.125 1.00 0.00 H new ATOM 1547 N PRO A 102 -5.487 0.452 12.014 1.00 0.00 N ATOM 1548 CA PRO A 102 -4.041 0.767 11.967 1.00 0.00 C ATOM 1549 C PRO A 102 -3.374 0.804 13.361 1.00 0.00 C ATOM 1550 O PRO A 102 -3.942 1.320 14.328 1.00 0.00 O ATOM 1551 CB PRO A 102 -4.007 2.156 11.282 1.00 0.00 C ATOM 1552 CG PRO A 102 -5.299 2.803 11.685 1.00 0.00 C ATOM 1553 CD PRO A 102 -6.319 1.673 11.763 1.00 0.00 C ATOM 0 HA PRO A 102 -3.475 0.002 11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.149 2.741 11.613 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.930 2.063 10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.201 3.309 12.646 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.603 3.556 10.958 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.038 1.838 12.566 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.889 1.585 10.838 1.00 0.00 H new ATOM 1561 N ASN A 103 -2.170 0.224 13.440 1.00 0.00 N ATOM 1562 CA ASN A 103 -1.269 0.363 14.604 1.00 0.00 C ATOM 1563 C ASN A 103 -0.401 1.624 14.437 1.00 0.00 C ATOM 1564 O ASN A 103 0.157 2.133 15.415 1.00 0.00 O ATOM 1565 CB ASN A 103 -0.351 -0.878 14.719 1.00 0.00 C ATOM 1566 CG ASN A 103 0.596 -0.854 15.927 1.00 0.00 C ATOM 1567 OD1 ASN A 103 0.238 -0.392 17.016 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.821 -1.318 15.727 1.00 0.00 N ATOM 0 H ASN A 103 -1.786 -0.360 12.697 1.00 0.00 H new ATOM 0 HA ASN A 103 -1.872 0.448 15.508 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.973 -1.771 14.778 1.00 0.00 H new ATOM 0 HB3 ASN A 103 0.242 -0.962 13.809 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.503 -1.301 16.485 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.082 -1.692 14.815 1.00 0.00 H new ATOM 1575 N SER A 104 -0.294 2.085 13.171 1.00 0.00 N ATOM 1576 CA SER A 104 0.499 3.247 12.750 1.00 0.00 C ATOM 1577 C SER A 104 0.311 4.454 13.705 1.00 0.00 C ATOM 1578 O SER A 104 -0.824 4.918 13.862 1.00 0.00 O ATOM 1579 CB SER A 104 0.072 3.630 11.317 1.00 0.00 C ATOM 1580 OG SER A 104 0.048 2.498 10.450 1.00 0.00 O ATOM 0 H SER A 104 -0.777 1.638 12.392 1.00 0.00 H new ATOM 0 HA SER A 104 1.556 2.982 12.779 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.916 4.089 11.343 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.760 4.377 10.920 1.00 0.00 H new ATOM 0 HG SER A 104 0.595 1.781 10.833 1.00 0.00 H new ATOM 1586 N PRO A 105 1.408 4.941 14.390 1.00 0.00 N ATOM 1587 CA PRO A 105 1.332 6.079 15.337 1.00 0.00 C ATOM 1588 C PRO A 105 1.064 7.393 14.582 1.00 0.00 C ATOM 1589 O PRO A 105 1.984 8.170 14.298 1.00 0.00 O ATOM 1590 CB PRO A 105 2.728 6.066 16.057 1.00 0.00 C ATOM 1591 CG PRO A 105 3.352 4.755 15.666 1.00 0.00 C ATOM 1592 CD PRO A 105 2.802 4.435 14.296 1.00 0.00 C ATOM 0 HA PRO A 105 0.515 5.996 16.053 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.344 6.907 15.740 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.616 6.143 17.138 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.439 4.830 15.644 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.101 3.972 16.382 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.363 4.933 13.506 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.834 3.366 14.084 1.00 0.00 H new ATOM 1600 N ASP A 106 -0.216 7.598 14.225 1.00 0.00 N ATOM 1601 CA ASP A 106 -0.649 8.695 13.359 1.00 0.00 C ATOM 1602 C ASP A 106 -0.632 10.017 14.144 1.00 0.00 C ATOM 1603 O ASP A 106 -1.614 10.394 14.791 1.00 0.00 O ATOM 1604 CB ASP A 106 -2.050 8.389 12.759 1.00 0.00 C ATOM 1605 CG ASP A 106 -2.512 9.442 11.734 1.00 0.00 C ATOM 1606 OD1 ASP A 106 -1.985 9.446 10.602 1.00 0.00 O ATOM 1607 OD2 ASP A 106 -3.400 10.265 12.053 1.00 0.00 O ATOM 0 H ASP A 106 -0.981 6.999 14.535 1.00 0.00 H new ATOM 0 HA ASP A 106 0.044 8.796 12.524 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -2.028 7.410 12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.780 8.332 13.567 1.00 0.00 H new ATOM 1612 N THR A 107 0.548 10.653 14.127 1.00 0.00 N ATOM 1613 CA THR A 107 0.832 11.922 14.796 1.00 0.00 C ATOM 1614 C THR A 107 1.952 12.627 14.016 1.00 0.00 C ATOM 1615 O THR A 107 3.135 12.314 14.181 1.00 0.00 O ATOM 1616 CB THR A 107 1.240 11.719 16.309 1.00 0.00 C ATOM 1617 OG1 THR A 107 2.020 10.519 16.456 1.00 0.00 O ATOM 1618 CG2 THR A 107 0.024 11.662 17.255 1.00 0.00 C ATOM 0 H THR A 107 1.357 10.281 13.628 1.00 0.00 H new ATOM 0 HA THR A 107 -0.070 12.533 14.805 1.00 0.00 H new ATOM 0 HB THR A 107 1.832 12.589 16.592 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.269 10.404 17.397 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.367 11.521 18.280 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.536 12.595 17.184 1.00 0.00 H new ATOM 0 HG23 THR A 107 -0.620 10.830 16.970 1.00 0.00 H new ATOM 1626 N ALA A 108 1.552 13.529 13.112 1.00 0.00 N ATOM 1627 CA ALA A 108 2.475 14.349 12.314 1.00 0.00 C ATOM 1628 C ALA A 108 2.082 15.823 12.488 1.00 0.00 C ATOM 1629 O ALA A 108 2.721 16.533 13.271 1.00 0.00 O ATOM 1630 CB ALA A 108 2.453 13.899 10.840 1.00 0.00 C ATOM 0 H ALA A 108 0.569 13.713 12.911 1.00 0.00 H new ATOM 0 HA ALA A 108 3.502 14.223 12.657 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.141 14.515 10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.758 12.855 10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.445 14.009 10.441 1.00 0.00 H new ATOM 1636 N ASN A 109 0.999 16.242 11.789 1.00 0.00 N ATOM 1637 CA ASN A 109 0.380 17.590 11.906 1.00 0.00 C ATOM 1638 C ASN A 109 1.424 18.735 11.833 1.00 0.00 C ATOM 1639 O ASN A 109 1.884 19.232 12.870 1.00 0.00 O ATOM 1640 CB ASN A 109 -0.486 17.696 13.204 1.00 0.00 C ATOM 1641 CG ASN A 109 -1.745 16.820 13.191 1.00 0.00 C ATOM 1642 OD1 ASN A 109 -1.799 15.780 12.535 1.00 0.00 O ATOM 1643 ND2 ASN A 109 -2.765 17.248 13.919 1.00 0.00 N ATOM 0 H ASN A 109 0.521 15.644 11.115 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.275 17.712 11.044 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.128 17.418 14.061 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.781 18.735 13.347 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -3.631 16.711 13.949 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.684 18.115 14.450 1.00 0.00 H new ATOM 1650 N ASP A 110 1.801 19.133 10.610 1.00 0.00 N ATOM 1651 CA ASP A 110 2.869 20.129 10.380 1.00 0.00 C ATOM 1652 C ASP A 110 2.334 21.312 9.547 1.00 0.00 C ATOM 1653 O ASP A 110 1.852 21.122 8.421 1.00 0.00 O ATOM 1654 CB ASP A 110 4.089 19.457 9.679 1.00 0.00 C ATOM 1655 CG ASP A 110 5.339 20.354 9.679 1.00 0.00 C ATOM 1656 OD1 ASP A 110 6.017 20.435 10.731 1.00 0.00 O ATOM 1657 OD2 ASP A 110 5.649 20.992 8.651 1.00 0.00 O ATOM 0 H ASP A 110 1.379 18.778 9.752 1.00 0.00 H new ATOM 0 HA ASP A 110 3.200 20.519 11.343 1.00 0.00 H new ATOM 0 HB2 ASP A 110 4.320 18.518 10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 110 3.823 19.211 8.651 1.00 0.00 H new ATOM 1662 N GLY A 111 2.426 22.534 10.102 1.00 0.00 N ATOM 1663 CA GLY A 111 1.987 23.749 9.416 1.00 0.00 C ATOM 1664 C GLY A 111 1.871 24.925 10.384 1.00 0.00 C ATOM 1665 O GLY A 111 0.771 25.169 10.927 1.00 0.00 O ATOM 1666 OXT GLY A 111 2.894 25.593 10.643 1.00 0.00 O ATOM 0 H GLY A 111 2.806 22.700 11.034 1.00 0.00 H new ATOM 0 HA2 GLY A 111 2.693 23.997 8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 111 1.023 23.571 8.940 1.00 0.00 H new TER 1670 GLY A 111