USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 758 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 100 THR OG1 : rot -118:sc= 0.735 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0.607 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.302 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -6.42! C(o=-6.4!,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.2!) USER MOD Single : A 51 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.22) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc=-0.000373 (180deg=-0.128) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.01 K(o=-1,f=-2.1!) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0117) USER MOD Single : A 74 LYS NZ :NH3+ -138:sc= -1.25 (180deg=-4.86!) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= -0.132 (180deg=-0.304) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.375 USER MOD Single : A 83 THR OG1 : rot 180:sc= -2.01 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 110:sc= -0.431 USER MOD Single : A 94 GLN : amide:sc= -1.16 K(o=-1.2,f=-5.3!) USER MOD Single : A 96 ASN : amide:sc= -0.785 X(o=-0.78,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 8 168.989 11.419 7.563 1.00 0.00 N ATOM 40 CA VAL A 8 169.939 11.632 6.481 1.00 0.00 C ATOM 41 C VAL A 8 170.749 10.370 6.198 1.00 0.00 C ATOM 42 O VAL A 8 170.814 9.461 7.026 1.00 0.00 O ATOM 43 CB VAL A 8 170.904 12.785 6.810 1.00 0.00 C ATOM 44 CG1 VAL A 8 171.769 13.126 5.607 1.00 0.00 C ATOM 45 CG2 VAL A 8 170.133 14.008 7.285 1.00 0.00 C ATOM 0 HA VAL A 8 169.359 11.889 5.595 1.00 0.00 H new ATOM 0 HB VAL A 8 171.561 12.460 7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 8 172.443 13.943 5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 8 172.352 12.252 5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 8 171.133 13.428 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 8 170.832 14.813 7.513 1.00 0.00 H new ATOM 0 HG22 VAL A 8 169.448 14.333 6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 8 169.566 13.755 8.181 1.00 0.00 H new ATOM 55 N VAL A 9 171.358 10.323 5.020 1.00 0.00 N ATOM 56 CA VAL A 9 172.160 9.178 4.610 1.00 0.00 C ATOM 57 C VAL A 9 173.413 9.019 5.471 1.00 0.00 C ATOM 58 O VAL A 9 174.171 9.972 5.653 1.00 0.00 O ATOM 59 CB VAL A 9 172.625 9.318 3.150 1.00 0.00 C ATOM 60 CG1 VAL A 9 173.216 8.008 2.662 1.00 0.00 C ATOM 61 CG2 VAL A 9 171.489 9.777 2.245 1.00 0.00 C ATOM 0 H VAL A 9 171.311 11.070 4.328 1.00 0.00 H new ATOM 0 HA VAL A 9 171.516 8.307 4.727 1.00 0.00 H new ATOM 0 HB VAL A 9 173.399 10.085 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.542 8.119 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 9 174.070 7.740 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 9 172.462 7.223 2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 9 171.852 9.865 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 9 170.679 9.049 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 9 171.122 10.746 2.585 1.00 0.00 H new ATOM 71 N PRO A 10 173.661 7.805 5.999 1.00 0.00 N ATOM 72 CA PRO A 10 174.844 7.534 6.822 1.00 0.00 C ATOM 73 C PRO A 10 176.138 7.713 6.037 1.00 0.00 C ATOM 74 O PRO A 10 176.128 8.209 4.909 1.00 0.00 O ATOM 75 CB PRO A 10 174.679 6.069 7.238 1.00 0.00 C ATOM 76 CG PRO A 10 173.734 5.485 6.245 1.00 0.00 C ATOM 77 CD PRO A 10 172.824 6.604 5.827 1.00 0.00 C ATOM 0 HA PRO A 10 174.913 8.220 7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 10 175.635 5.546 7.226 1.00 0.00 H new ATOM 0 HB3 PRO A 10 174.285 5.989 8.251 1.00 0.00 H new ATOM 0 HG2 PRO A 10 174.271 5.079 5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 10 173.166 4.664 6.683 1.00 0.00 H new ATOM 0 HD2 PRO A 10 172.493 6.489 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 10 171.928 6.646 6.446 1.00 0.00 H new ATOM 85 N SER A 11 177.249 7.315 6.642 1.00 0.00 N ATOM 86 CA SER A 11 178.553 7.437 6.007 1.00 0.00 C ATOM 87 C SER A 11 179.174 6.075 5.722 1.00 0.00 C ATOM 88 O SER A 11 179.520 5.334 6.643 1.00 0.00 O ATOM 89 CB SER A 11 179.477 8.252 6.904 1.00 0.00 C ATOM 90 OG SER A 11 180.569 8.782 6.174 1.00 0.00 O ATOM 0 H SER A 11 177.272 6.904 7.575 1.00 0.00 H new ATOM 0 HA SER A 11 178.418 7.942 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 11 178.916 9.065 7.364 1.00 0.00 H new ATOM 0 HB3 SER A 11 179.849 7.623 7.713 1.00 0.00 H new ATOM 0 HG SER A 11 181.143 9.301 6.775 1.00 0.00 H new ATOM 96 N ALA A 12 179.319 5.750 4.438 1.00 0.00 N ATOM 97 CA ALA A 12 179.902 4.477 4.039 1.00 0.00 C ATOM 98 C ALA A 12 181.420 4.568 3.925 1.00 0.00 C ATOM 99 O ALA A 12 181.950 5.147 2.977 1.00 0.00 O ATOM 100 CB ALA A 12 179.301 4.013 2.722 1.00 0.00 C ATOM 0 H ALA A 12 179.041 6.350 3.662 1.00 0.00 H new ATOM 0 HA ALA A 12 179.670 3.746 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 12 179.746 3.060 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.224 3.891 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 12 179.502 4.755 1.949 1.00 0.00 H new ATOM 106 N LYS A 13 182.114 3.978 4.895 1.00 0.00 N ATOM 107 CA LYS A 13 183.573 3.977 4.902 1.00 0.00 C ATOM 108 C LYS A 13 184.100 2.745 4.176 1.00 0.00 C ATOM 109 O LYS A 13 183.356 1.792 3.949 1.00 0.00 O ATOM 110 CB LYS A 13 184.099 4.010 6.339 1.00 0.00 C ATOM 111 CG LYS A 13 184.997 5.202 6.631 1.00 0.00 C ATOM 112 CD LYS A 13 185.784 5.003 7.916 1.00 0.00 C ATOM 113 CE LYS A 13 186.945 5.978 8.015 1.00 0.00 C ATOM 114 NZ LYS A 13 187.548 5.984 9.377 1.00 0.00 N ATOM 0 H LYS A 13 181.689 3.495 5.686 1.00 0.00 H new ATOM 0 HA LYS A 13 183.925 4.868 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.253 4.026 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 13 184.653 3.092 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 13 185.686 5.352 5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 13 184.391 6.105 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 13 185.123 5.135 8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 13 186.161 3.981 7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 13 187.706 5.712 7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 13 186.599 6.981 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 188.337 6.661 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 186.828 6.262 10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 187.901 5.033 9.605 1.00 0.00 H new ATOM 128 N LEU A 14 185.377 2.763 3.807 1.00 0.00 N ATOM 129 CA LEU A 14 185.971 1.633 3.099 1.00 0.00 C ATOM 130 C LEU A 14 187.447 1.458 3.440 1.00 0.00 C ATOM 131 O LEU A 14 188.107 2.389 3.905 1.00 0.00 O ATOM 132 CB LEU A 14 185.813 1.812 1.589 1.00 0.00 C ATOM 133 CG LEU A 14 184.413 2.221 1.127 1.00 0.00 C ATOM 134 CD1 LEU A 14 184.226 3.723 1.253 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.173 1.768 -0.305 1.00 0.00 C ATOM 0 H LEU A 14 186.015 3.539 3.984 1.00 0.00 H new ATOM 0 HA LEU A 14 185.442 0.736 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.525 2.566 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 14 186.082 0.877 1.098 1.00 0.00 H new ATOM 0 HG LEU A 14 183.681 1.732 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 14 183.224 3.994 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 14 184.355 4.020 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 14 184.965 4.235 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.173 2.067 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 14 184.911 2.229 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 14 184.263 0.683 -0.363 1.00 0.00 H new ATOM 147 N GLU A 15 187.955 0.255 3.193 1.00 0.00 N ATOM 148 CA GLU A 15 189.352 -0.070 3.453 1.00 0.00 C ATOM 149 C GLU A 15 189.843 -1.114 2.452 1.00 0.00 C ATOM 150 O GLU A 15 189.101 -2.028 2.091 1.00 0.00 O ATOM 151 CB GLU A 15 189.522 -0.594 4.881 1.00 0.00 C ATOM 152 CG GLU A 15 189.145 0.419 5.950 1.00 0.00 C ATOM 153 CD GLU A 15 189.967 1.689 5.865 1.00 0.00 C ATOM 154 OE1 GLU A 15 191.079 1.640 5.298 1.00 0.00 O ATOM 155 OE2 GLU A 15 189.499 2.734 6.365 1.00 0.00 O ATOM 0 H GLU A 15 187.412 -0.519 2.809 1.00 0.00 H new ATOM 0 HA GLU A 15 189.946 0.837 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 15 188.910 -1.487 5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.559 -0.895 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 15 188.088 0.668 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 15 189.278 -0.030 6.934 1.00 0.00 H new ATOM 162 N ALA A 16 191.087 -0.972 1.997 1.00 0.00 N ATOM 163 CA ALA A 16 191.645 -1.912 1.026 1.00 0.00 C ATOM 164 C ALA A 16 192.276 -3.118 1.714 1.00 0.00 C ATOM 165 O ALA A 16 193.369 -3.029 2.270 1.00 0.00 O ATOM 166 CB ALA A 16 192.664 -1.212 0.141 1.00 0.00 C ATOM 0 H ALA A 16 191.721 -0.225 2.281 1.00 0.00 H new ATOM 0 HA ALA A 16 190.827 -2.276 0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 16 193.072 -1.923 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.181 -0.394 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.471 -0.817 0.758 1.00 0.00 H new ATOM 172 N ILE A 17 191.578 -4.247 1.667 1.00 0.00 N ATOM 173 CA ILE A 17 192.063 -5.477 2.280 1.00 0.00 C ATOM 174 C ILE A 17 193.224 -6.069 1.485 1.00 0.00 C ATOM 175 O ILE A 17 193.267 -5.962 0.259 1.00 0.00 O ATOM 176 CB ILE A 17 190.941 -6.527 2.393 1.00 0.00 C ATOM 177 CG1 ILE A 17 189.723 -5.928 3.099 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.435 -7.758 3.136 1.00 0.00 C ATOM 179 CD1 ILE A 17 190.021 -5.421 4.494 1.00 0.00 C ATOM 0 H ILE A 17 190.671 -4.335 1.209 1.00 0.00 H new ATOM 0 HA ILE A 17 192.409 -5.217 3.280 1.00 0.00 H new ATOM 0 HB ILE A 17 190.646 -6.829 1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.333 -5.106 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 17 188.938 -6.683 3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 17 190.629 -8.488 3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 17 192.275 -8.195 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 17 191.755 -7.474 4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 17 189.112 -5.010 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.383 -6.244 5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 17 190.783 -4.643 4.443 1.00 0.00 H new ATOM 191 N TYR A 18 194.158 -6.696 2.191 1.00 0.00 N ATOM 192 CA TYR A 18 195.317 -7.312 1.555 1.00 0.00 C ATOM 193 C TYR A 18 195.173 -8.834 1.525 1.00 0.00 C ATOM 194 O TYR A 18 194.668 -9.431 2.476 1.00 0.00 O ATOM 195 CB TYR A 18 196.597 -6.921 2.297 1.00 0.00 C ATOM 196 CG TYR A 18 197.748 -6.571 1.380 1.00 0.00 C ATOM 197 CD1 TYR A 18 197.691 -5.451 0.559 1.00 0.00 C ATOM 198 CD2 TYR A 18 198.891 -7.360 1.334 1.00 0.00 C ATOM 199 CE1 TYR A 18 198.740 -5.127 -0.281 1.00 0.00 C ATOM 200 CE2 TYR A 18 199.944 -7.043 0.496 1.00 0.00 C ATOM 201 CZ TYR A 18 199.862 -5.926 -0.309 1.00 0.00 C ATOM 202 OH TYR A 18 200.909 -5.608 -1.144 1.00 0.00 O ATOM 0 H TYR A 18 194.135 -6.791 3.206 1.00 0.00 H new ATOM 0 HA TYR A 18 195.377 -6.950 0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 18 196.386 -6.069 2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 18 196.897 -7.745 2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 18 196.812 -4.823 0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 18 198.958 -8.235 1.963 1.00 0.00 H new ATOM 0 HE1 TYR A 18 198.680 -4.252 -0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 18 200.826 -7.666 0.472 1.00 0.00 H new ATOM 0 HH TYR A 18 201.622 -6.272 -1.042 1.00 0.00 H new ATOM 212 N PRO A 19 195.614 -9.489 0.434 1.00 0.00 N ATOM 213 CA PRO A 19 196.220 -8.831 -0.720 1.00 0.00 C ATOM 214 C PRO A 19 195.184 -8.428 -1.764 1.00 0.00 C ATOM 215 O PRO A 19 195.501 -7.736 -2.732 1.00 0.00 O ATOM 216 CB PRO A 19 197.139 -9.916 -1.265 1.00 0.00 C ATOM 217 CG PRO A 19 196.434 -11.199 -0.959 1.00 0.00 C ATOM 218 CD PRO A 19 195.550 -10.946 0.242 1.00 0.00 C ATOM 0 HA PRO A 19 196.727 -7.902 -0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 19 197.299 -9.798 -2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 19 198.120 -9.880 -0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 19 195.840 -11.525 -1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 19 197.152 -11.992 -0.749 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.528 -11.280 0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 19 195.910 -11.480 1.121 1.00 0.00 H new ATOM 226 N ARG A 20 193.945 -8.864 -1.560 1.00 0.00 N ATOM 227 CA ARG A 20 192.865 -8.550 -2.473 1.00 0.00 C ATOM 228 C ARG A 20 191.510 -8.739 -1.798 1.00 0.00 C ATOM 229 O ARG A 20 190.964 -9.841 -1.776 1.00 0.00 O ATOM 230 CB ARG A 20 192.953 -9.417 -3.730 1.00 0.00 C ATOM 231 CG ARG A 20 193.264 -10.877 -3.443 1.00 0.00 C ATOM 232 CD ARG A 20 192.504 -11.806 -4.377 1.00 0.00 C ATOM 233 NE ARG A 20 193.343 -12.286 -5.474 1.00 0.00 N ATOM 234 CZ ARG A 20 193.558 -11.608 -6.599 1.00 0.00 C ATOM 235 NH1 ARG A 20 192.998 -10.418 -6.785 1.00 0.00 N ATOM 236 NH2 ARG A 20 194.336 -12.120 -7.544 1.00 0.00 N ATOM 0 H ARG A 20 193.669 -9.439 -0.764 1.00 0.00 H new ATOM 0 HA ARG A 20 192.963 -7.504 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 20 192.009 -9.355 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 20 193.723 -9.013 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 20 194.335 -11.049 -3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 20 193.006 -11.108 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 20 192.124 -12.657 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 20 191.639 -11.282 -4.784 1.00 0.00 H new ATOM 0 HE ARG A 20 193.791 -13.196 -5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 20 192.399 -10.018 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 20 193.167 -9.904 -7.650 1.00 0.00 H new ATOM 0 HH21 ARG A 20 194.769 -13.033 -7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 20 194.501 -11.600 -8.406 1.00 0.00 H new ATOM 250 N GLY A 21 190.976 -7.654 -1.250 1.00 0.00 N ATOM 251 CA GLY A 21 189.693 -7.712 -0.582 1.00 0.00 C ATOM 252 C GLY A 21 189.049 -6.346 -0.443 1.00 0.00 C ATOM 253 O GLY A 21 189.472 -5.386 -1.090 1.00 0.00 O ATOM 0 H GLY A 21 191.412 -6.732 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 21 189.026 -8.370 -1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 21 189.821 -8.152 0.407 1.00 0.00 H new ATOM 257 N LEU A 22 188.025 -6.254 0.400 1.00 0.00 N ATOM 258 CA LEU A 22 187.325 -4.992 0.615 1.00 0.00 C ATOM 259 C LEU A 22 186.645 -4.971 1.982 1.00 0.00 C ATOM 260 O LEU A 22 186.169 -5.997 2.468 1.00 0.00 O ATOM 261 CB LEU A 22 186.288 -4.767 -0.492 1.00 0.00 C ATOM 262 CG LEU A 22 185.295 -3.629 -0.238 1.00 0.00 C ATOM 263 CD1 LEU A 22 186.029 -2.313 -0.036 1.00 0.00 C ATOM 264 CD2 LEU A 22 184.306 -3.521 -1.390 1.00 0.00 C ATOM 0 H LEU A 22 187.662 -7.037 0.944 1.00 0.00 H new ATOM 0 HA LEU A 22 188.059 -4.187 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 22 186.815 -4.566 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 22 185.728 -5.691 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 22 184.740 -3.852 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 22 185.306 -1.517 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 22 186.697 -2.397 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 22 186.611 -2.081 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 22 183.607 -2.708 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 22 184.846 -3.321 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 22 183.756 -4.457 -1.486 1.00 0.00 H new ATOM 276 N ARG A 23 186.602 -3.791 2.596 1.00 0.00 N ATOM 277 CA ARG A 23 185.979 -3.632 3.906 1.00 0.00 C ATOM 278 C ARG A 23 185.197 -2.324 3.980 1.00 0.00 C ATOM 279 O ARG A 23 185.763 -1.266 4.250 1.00 0.00 O ATOM 280 CB ARG A 23 187.039 -3.670 5.007 1.00 0.00 C ATOM 281 CG ARG A 23 186.682 -4.585 6.169 1.00 0.00 C ATOM 282 CD ARG A 23 185.578 -3.991 7.029 1.00 0.00 C ATOM 283 NE ARG A 23 185.917 -4.019 8.450 1.00 0.00 N ATOM 284 CZ ARG A 23 186.713 -3.132 9.040 1.00 0.00 C ATOM 285 NH1 ARG A 23 187.258 -2.146 8.335 1.00 0.00 N ATOM 286 NH2 ARG A 23 186.966 -3.228 10.338 1.00 0.00 N ATOM 0 H ARG A 23 186.991 -2.932 2.207 1.00 0.00 H new ATOM 0 HA ARG A 23 185.284 -4.459 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 23 187.986 -3.997 4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 23 187.193 -2.660 5.386 1.00 0.00 H new ATOM 0 HG2 ARG A 23 186.364 -5.554 5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 23 187.567 -4.759 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 23 185.392 -2.962 6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 23 184.653 -4.545 6.866 1.00 0.00 H new ATOM 0 HE ARG A 23 185.520 -4.763 9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 23 187.066 -2.067 7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 23 187.868 -1.468 8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 23 186.550 -3.982 10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 23 187.577 -2.548 10.790 1.00 0.00 H new ATOM 300 N VAL A 24 183.890 -2.404 3.739 1.00 0.00 N ATOM 301 CA VAL A 24 183.028 -1.228 3.778 1.00 0.00 C ATOM 302 C VAL A 24 182.139 -1.245 5.019 1.00 0.00 C ATOM 303 O VAL A 24 181.804 -2.310 5.535 1.00 0.00 O ATOM 304 CB VAL A 24 182.143 -1.146 2.519 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.308 0.127 2.520 1.00 0.00 C ATOM 306 CG2 VAL A 24 182.997 -1.227 1.263 1.00 0.00 C ATOM 0 H VAL A 24 183.406 -3.273 3.514 1.00 0.00 H new ATOM 0 HA VAL A 24 183.676 -0.352 3.813 1.00 0.00 H new ATOM 0 HB VAL A 24 181.460 -1.995 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 24 180.693 0.159 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 24 180.665 0.140 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 24 181.967 0.995 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.356 -1.168 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 24 183.707 -0.400 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.541 -2.172 1.253 1.00 0.00 H new ATOM 316 N SER A 25 181.762 -0.060 5.499 1.00 0.00 N ATOM 317 CA SER A 25 180.917 0.044 6.684 1.00 0.00 C ATOM 318 C SER A 25 180.103 1.337 6.683 1.00 0.00 C ATOM 319 O SER A 25 180.577 2.383 6.238 1.00 0.00 O ATOM 320 CB SER A 25 181.770 -0.029 7.951 1.00 0.00 C ATOM 321 OG SER A 25 183.033 -0.615 7.684 1.00 0.00 O ATOM 0 H SER A 25 182.027 0.835 5.087 1.00 0.00 H new ATOM 0 HA SER A 25 180.221 -0.794 6.666 1.00 0.00 H new ATOM 0 HB2 SER A 25 181.909 0.973 8.357 1.00 0.00 H new ATOM 0 HB3 SER A 25 181.249 -0.612 8.711 1.00 0.00 H new ATOM 0 HG SER A 25 183.559 -0.648 8.510 1.00 0.00 H new ATOM 327 N ILE A 26 178.876 1.252 7.193 1.00 0.00 N ATOM 328 CA ILE A 26 177.983 2.410 7.266 1.00 0.00 C ATOM 329 C ILE A 26 177.264 2.451 8.616 1.00 0.00 C ATOM 330 O ILE A 26 176.709 1.445 9.058 1.00 0.00 O ATOM 331 CB ILE A 26 176.913 2.365 6.157 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.158 1.036 6.198 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.544 2.584 4.792 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.728 1.171 6.671 1.00 0.00 C ATOM 0 H ILE A 26 178.475 0.390 7.563 1.00 0.00 H new ATOM 0 HA ILE A 26 178.603 3.298 7.139 1.00 0.00 H new ATOM 0 HB ILE A 26 176.200 3.171 6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.163 0.593 5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.687 0.347 6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 26 176.771 2.548 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 26 178.033 3.558 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.281 1.803 4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.252 0.190 6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.716 1.585 7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.184 1.835 6.000 1.00 0.00 H new ATOM 346 N PRO A 27 177.250 3.615 9.291 1.00 0.00 N ATOM 347 CA PRO A 27 176.577 3.758 10.586 1.00 0.00 C ATOM 348 C PRO A 27 175.073 3.538 10.461 1.00 0.00 C ATOM 349 O PRO A 27 174.349 4.395 9.955 1.00 0.00 O ATOM 350 CB PRO A 27 176.882 5.200 11.001 1.00 0.00 C ATOM 351 CG PRO A 27 177.226 5.904 9.735 1.00 0.00 C ATOM 352 CD PRO A 27 177.869 4.874 8.847 1.00 0.00 C ATOM 0 HA PRO A 27 176.921 3.024 11.314 1.00 0.00 H new ATOM 0 HB2 PRO A 27 176.022 5.661 11.487 1.00 0.00 H new ATOM 0 HB3 PRO A 27 177.708 5.239 11.711 1.00 0.00 H new ATOM 0 HG2 PRO A 27 176.335 6.321 9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 27 177.906 6.735 9.923 1.00 0.00 H new ATOM 0 HD2 PRO A 27 177.671 5.071 7.793 1.00 0.00 H new ATOM 0 HD3 PRO A 27 178.952 4.856 8.970 1.00 0.00 H new ATOM 360 N ASP A 28 174.615 2.378 10.912 1.00 0.00 N ATOM 361 CA ASP A 28 173.204 2.028 10.839 1.00 0.00 C ATOM 362 C ASP A 28 172.367 2.853 11.809 1.00 0.00 C ATOM 363 O ASP A 28 172.868 3.373 12.805 1.00 0.00 O ATOM 364 CB ASP A 28 173.006 0.539 11.135 1.00 0.00 C ATOM 365 CG ASP A 28 171.546 0.128 11.123 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.785 0.670 10.294 1.00 0.00 O ATOM 367 OD2 ASP A 28 171.165 -0.732 11.943 1.00 0.00 O ATOM 0 H ASP A 28 175.204 1.660 11.334 1.00 0.00 H new ATOM 0 HA ASP A 28 172.869 2.248 9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.551 -0.049 10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.437 0.306 12.109 1.00 0.00 H new ATOM 372 N ASP A 29 171.079 2.942 11.507 1.00 0.00 N ATOM 373 CA ASP A 29 170.133 3.671 12.337 1.00 0.00 C ATOM 374 C ASP A 29 168.777 2.986 12.275 1.00 0.00 C ATOM 375 O ASP A 29 167.736 3.635 12.172 1.00 0.00 O ATOM 376 CB ASP A 29 170.016 5.126 11.879 1.00 0.00 C ATOM 377 CG ASP A 29 171.368 5.799 11.740 1.00 0.00 C ATOM 378 OD1 ASP A 29 172.099 5.471 10.781 1.00 0.00 O ATOM 379 OD2 ASP A 29 171.697 6.654 12.590 1.00 0.00 O ATOM 0 H ASP A 29 170.662 2.512 10.681 1.00 0.00 H new ATOM 0 HA ASP A 29 170.492 3.672 13.366 1.00 0.00 H new ATOM 0 HB2 ASP A 29 169.495 5.162 10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.409 5.681 12.594 1.00 0.00 H new ATOM 384 N GLY A 30 168.811 1.660 12.334 1.00 0.00 N ATOM 385 CA GLY A 30 167.604 0.876 12.281 1.00 0.00 C ATOM 386 C GLY A 30 167.062 0.729 10.873 1.00 0.00 C ATOM 387 O GLY A 30 165.862 0.883 10.646 1.00 0.00 O ATOM 0 H GLY A 30 169.668 1.113 12.419 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.800 -0.113 12.695 1.00 0.00 H new ATOM 0 HA3 GLY A 30 166.846 1.341 12.911 1.00 0.00 H new ATOM 391 N PHE A 31 167.944 0.427 9.925 1.00 0.00 N ATOM 392 CA PHE A 31 167.533 0.257 8.537 1.00 0.00 C ATOM 393 C PHE A 31 167.066 -1.165 8.275 1.00 0.00 C ATOM 394 O PHE A 31 166.953 -1.982 9.188 1.00 0.00 O ATOM 395 CB PHE A 31 168.678 0.587 7.572 1.00 0.00 C ATOM 396 CG PHE A 31 169.411 1.859 7.896 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.732 2.966 8.380 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.781 1.947 7.710 1.00 0.00 C ATOM 399 CE1 PHE A 31 169.405 4.136 8.671 1.00 0.00 C ATOM 400 CE2 PHE A 31 171.459 3.116 8.000 1.00 0.00 C ATOM 401 CZ PHE A 31 170.771 4.213 8.481 1.00 0.00 C ATOM 0 H PHE A 31 168.942 0.296 10.092 1.00 0.00 H new ATOM 0 HA PHE A 31 166.708 0.948 8.365 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.389 -0.239 7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 31 168.277 0.660 6.561 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.664 2.913 8.531 1.00 0.00 H new ATOM 0 HD2 PHE A 31 171.325 1.093 7.334 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.863 4.991 9.047 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.527 3.172 7.850 1.00 0.00 H new ATOM 0 HZ PHE A 31 171.299 5.127 8.708 1.00 0.00 H new ATOM 411 N SER A 32 166.807 -1.442 7.009 1.00 0.00 N ATOM 412 CA SER A 32 166.359 -2.753 6.575 1.00 0.00 C ATOM 413 C SER A 32 167.140 -3.210 5.346 1.00 0.00 C ATOM 414 O SER A 32 167.290 -4.409 5.116 1.00 0.00 O ATOM 415 CB SER A 32 164.862 -2.729 6.265 1.00 0.00 C ATOM 416 OG SER A 32 164.264 -3.985 6.538 1.00 0.00 O ATOM 0 H SER A 32 166.901 -0.764 6.253 1.00 0.00 H new ATOM 0 HA SER A 32 166.540 -3.460 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.377 -1.955 6.859 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.709 -2.470 5.217 1.00 0.00 H new ATOM 0 HG SER A 32 163.307 -3.943 6.333 1.00 0.00 H new ATOM 422 N LEU A 33 167.646 -2.258 4.557 1.00 0.00 N ATOM 423 CA LEU A 33 168.414 -2.617 3.366 1.00 0.00 C ATOM 424 C LEU A 33 169.588 -1.682 3.136 1.00 0.00 C ATOM 425 O LEU A 33 169.426 -0.469 3.112 1.00 0.00 O ATOM 426 CB LEU A 33 167.546 -2.602 2.110 1.00 0.00 C ATOM 427 CG LEU A 33 168.075 -3.478 0.973 1.00 0.00 C ATOM 428 CD1 LEU A 33 167.877 -4.953 1.289 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.408 -3.118 -0.344 1.00 0.00 C ATOM 0 H LEU A 33 167.541 -1.256 4.717 1.00 0.00 H new ATOM 0 HA LEU A 33 168.785 -3.625 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.541 -2.934 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.460 -1.576 1.753 1.00 0.00 H new ATOM 0 HG LEU A 33 169.144 -3.291 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 33 168.261 -5.556 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 33 168.413 -5.204 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 33 166.815 -5.157 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.801 -3.755 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.332 -3.267 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.612 -2.074 -0.582 1.00 0.00 H new ATOM 441 N PHE A 34 170.763 -2.266 2.938 1.00 0.00 N ATOM 442 CA PHE A 34 171.971 -1.501 2.673 1.00 0.00 C ATOM 443 C PHE A 34 172.560 -1.898 1.320 1.00 0.00 C ATOM 444 O PHE A 34 173.362 -2.828 1.232 1.00 0.00 O ATOM 445 CB PHE A 34 172.995 -1.741 3.776 1.00 0.00 C ATOM 446 CG PHE A 34 174.350 -1.149 3.490 1.00 0.00 C ATOM 447 CD1 PHE A 34 174.469 0.055 2.811 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.503 -1.802 3.894 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.712 0.593 2.541 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.750 -1.267 3.627 1.00 0.00 C ATOM 451 CZ PHE A 34 176.853 -0.068 2.949 1.00 0.00 C ATOM 0 H PHE A 34 170.904 -3.276 2.957 1.00 0.00 H new ATOM 0 HA PHE A 34 171.716 -0.441 2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.616 -1.322 4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 34 173.104 -2.815 3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 34 173.580 0.577 2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.427 -2.740 4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 34 175.791 1.531 2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.641 -1.786 3.948 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.825 0.352 2.738 1.00 0.00 H new ATOM 461 N ALA A 35 172.157 -1.189 0.271 1.00 0.00 N ATOM 462 CA ALA A 35 172.643 -1.470 -1.072 1.00 0.00 C ATOM 463 C ALA A 35 173.892 -0.657 -1.381 1.00 0.00 C ATOM 464 O ALA A 35 173.939 0.548 -1.133 1.00 0.00 O ATOM 465 CB ALA A 35 171.554 -1.184 -2.098 1.00 0.00 C ATOM 0 H ALA A 35 171.495 -0.415 0.327 1.00 0.00 H new ATOM 0 HA ALA A 35 172.906 -2.526 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 35 171.931 -1.398 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.688 -1.813 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.263 -0.135 -2.037 1.00 0.00 H new ATOM 471 N PHE A 36 174.905 -1.324 -1.922 1.00 0.00 N ATOM 472 CA PHE A 36 176.156 -0.661 -2.261 1.00 0.00 C ATOM 473 C PHE A 36 176.413 -0.715 -3.763 1.00 0.00 C ATOM 474 O PHE A 36 176.396 -1.785 -4.367 1.00 0.00 O ATOM 475 CB PHE A 36 177.322 -1.310 -1.511 1.00 0.00 C ATOM 476 CG PHE A 36 178.590 -0.507 -1.566 1.00 0.00 C ATOM 477 CD1 PHE A 36 179.500 -0.693 -2.594 1.00 0.00 C ATOM 478 CD2 PHE A 36 178.873 0.434 -0.588 1.00 0.00 C ATOM 479 CE1 PHE A 36 180.667 0.045 -2.647 1.00 0.00 C ATOM 480 CE2 PHE A 36 180.038 1.174 -0.635 1.00 0.00 C ATOM 481 CZ PHE A 36 180.938 0.980 -1.665 1.00 0.00 C ATOM 0 H PHE A 36 174.884 -2.321 -2.134 1.00 0.00 H new ATOM 0 HA PHE A 36 176.075 0.384 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 36 177.038 -1.455 -0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.509 -2.298 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 36 179.295 -1.423 -3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 36 178.174 0.590 0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 36 181.367 -0.108 -3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 36 180.245 1.904 0.133 1.00 0.00 H new ATOM 0 HZ PHE A 36 181.850 1.557 -1.703 1.00 0.00 H new ATOM 491 N HIS A 37 176.649 0.453 -4.353 1.00 0.00 N ATOM 492 CA HIS A 37 176.914 0.571 -5.773 1.00 0.00 C ATOM 493 C HIS A 37 178.195 1.370 -5.968 1.00 0.00 C ATOM 494 O HIS A 37 178.257 2.527 -5.558 1.00 0.00 O ATOM 495 CB HIS A 37 175.749 1.292 -6.430 1.00 0.00 C ATOM 496 CG HIS A 37 175.004 0.462 -7.427 1.00 0.00 C ATOM 497 ND1 HIS A 37 174.937 -0.912 -7.359 1.00 0.00 N ATOM 498 CD2 HIS A 37 174.273 0.819 -8.510 1.00 0.00 C ATOM 499 CE1 HIS A 37 174.198 -1.366 -8.357 1.00 0.00 C ATOM 500 NE2 HIS A 37 173.783 -0.335 -9.068 1.00 0.00 N ATOM 0 H HIS A 37 176.661 1.343 -3.854 1.00 0.00 H new ATOM 0 HA HIS A 37 177.030 -0.415 -6.223 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.056 1.621 -5.656 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.122 2.188 -6.925 1.00 0.00 H new ATOM 0 HD2 HIS A 37 174.107 1.824 -8.868 1.00 0.00 H new ATOM 0 HE1 HIS A 37 173.973 -2.403 -8.556 1.00 0.00 H new ATOM 0 HE2 HIS A 37 173.193 -0.387 -9.898 1.00 0.00 H new ATOM 509 N GLY A 38 179.226 0.770 -6.564 1.00 0.00 N ATOM 510 CA GLY A 38 180.467 1.511 -6.728 1.00 0.00 C ATOM 511 C GLY A 38 181.293 1.099 -7.924 1.00 0.00 C ATOM 512 O GLY A 38 181.453 -0.087 -8.206 1.00 0.00 O ATOM 0 H GLY A 38 179.227 -0.184 -6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.233 2.572 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.069 1.389 -5.828 1.00 0.00 H new ATOM 516 N LYS A 39 181.843 2.097 -8.611 1.00 0.00 N ATOM 517 CA LYS A 39 182.688 1.863 -9.773 1.00 0.00 C ATOM 518 C LYS A 39 184.138 2.208 -9.448 1.00 0.00 C ATOM 519 O LYS A 39 184.409 3.111 -8.653 1.00 0.00 O ATOM 520 CB LYS A 39 182.203 2.698 -10.963 1.00 0.00 C ATOM 521 CG LYS A 39 182.196 1.934 -12.278 1.00 0.00 C ATOM 522 CD LYS A 39 181.539 2.739 -13.387 1.00 0.00 C ATOM 523 CE LYS A 39 180.768 1.845 -14.343 1.00 0.00 C ATOM 524 NZ LYS A 39 179.503 2.482 -14.803 1.00 0.00 N ATOM 0 H LYS A 39 181.716 3.082 -8.379 1.00 0.00 H new ATOM 0 HA LYS A 39 182.627 0.808 -10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.196 3.059 -10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 39 182.842 3.575 -11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 39 183.219 1.688 -12.563 1.00 0.00 H new ATOM 0 HG3 LYS A 39 181.666 0.990 -12.149 1.00 0.00 H new ATOM 0 HD2 LYS A 39 180.864 3.476 -12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 39 182.301 3.291 -13.938 1.00 0.00 H new ATOM 0 HE2 LYS A 39 181.392 1.613 -15.206 1.00 0.00 H new ATOM 0 HE3 LYS A 39 180.540 0.899 -13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 179.007 1.839 -15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 178.896 2.680 -13.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 179.721 3.372 -15.295 1.00 0.00 H new ATOM 538 N LEU A 40 185.066 1.479 -10.057 1.00 0.00 N ATOM 539 CA LEU A 40 186.489 1.707 -9.823 1.00 0.00 C ATOM 540 C LEU A 40 187.106 2.540 -10.943 1.00 0.00 C ATOM 541 O LEU A 40 186.974 2.211 -12.122 1.00 0.00 O ATOM 542 CB LEU A 40 187.228 0.372 -9.702 1.00 0.00 C ATOM 543 CG LEU A 40 188.608 0.453 -9.047 1.00 0.00 C ATOM 544 CD1 LEU A 40 188.482 0.802 -7.570 1.00 0.00 C ATOM 545 CD2 LEU A 40 189.359 -0.858 -9.226 1.00 0.00 C ATOM 0 H LEU A 40 184.861 0.727 -10.715 1.00 0.00 H new ATOM 0 HA LEU A 40 186.589 2.260 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 40 186.610 -0.317 -9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.340 -0.055 -10.698 1.00 0.00 H new ATOM 0 HG LEU A 40 189.175 1.245 -9.537 1.00 0.00 H new ATOM 0 HD11 LEU A 40 189.475 0.855 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 40 187.985 1.766 -7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 40 187.896 0.035 -7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 40 190.339 -0.783 -8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 40 188.794 -1.667 -8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 40 189.483 -1.064 -10.289 1.00 0.00 H new ATOM 557 N ASN A 41 187.783 3.619 -10.564 1.00 0.00 N ATOM 558 CA ASN A 41 188.428 4.501 -11.530 1.00 0.00 C ATOM 559 C ASN A 41 187.418 5.044 -12.539 1.00 0.00 C ATOM 560 O ASN A 41 187.601 4.912 -13.749 1.00 0.00 O ATOM 561 CB ASN A 41 189.549 3.758 -12.259 1.00 0.00 C ATOM 562 CG ASN A 41 190.761 4.635 -12.504 1.00 0.00 C ATOM 563 OD1 ASN A 41 190.985 5.617 -11.796 1.00 0.00 O ATOM 564 ND2 ASN A 41 191.551 4.284 -13.513 1.00 0.00 N ATOM 0 H ASN A 41 187.899 3.904 -9.592 1.00 0.00 H new ATOM 0 HA ASN A 41 188.853 5.344 -10.985 1.00 0.00 H new ATOM 0 HB2 ASN A 41 189.846 2.889 -11.673 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.174 3.386 -13.213 1.00 0.00 H new ATOM 0 HD21 ASN A 41 192.381 4.836 -13.727 1.00 0.00 H new ATOM 0 HD22 ASN A 41 191.327 3.462 -14.074 1.00 0.00 H new ATOM 571 N GLU A 42 186.358 5.664 -12.028 1.00 0.00 N ATOM 572 CA GLU A 42 185.317 6.242 -12.867 1.00 0.00 C ATOM 573 C GLU A 42 184.186 6.783 -12.005 1.00 0.00 C ATOM 574 O GLU A 42 183.434 6.025 -11.393 1.00 0.00 O ATOM 575 CB GLU A 42 184.762 5.216 -13.856 1.00 0.00 C ATOM 576 CG GLU A 42 183.676 5.788 -14.752 1.00 0.00 C ATOM 577 CD GLU A 42 183.134 4.774 -15.740 1.00 0.00 C ATOM 578 OE1 GLU A 42 183.878 3.836 -16.097 1.00 0.00 O ATOM 579 OE2 GLU A 42 181.965 4.916 -16.155 1.00 0.00 O ATOM 0 H GLU A 42 186.198 5.779 -11.027 1.00 0.00 H new ATOM 0 HA GLU A 42 185.765 7.057 -13.435 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.576 4.838 -14.475 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.361 4.366 -13.304 1.00 0.00 H new ATOM 0 HG2 GLU A 42 182.859 6.158 -14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 42 184.075 6.643 -15.298 1.00 0.00 H new ATOM 586 N GLU A 43 184.080 8.100 -11.961 1.00 0.00 N ATOM 587 CA GLU A 43 183.049 8.762 -11.171 1.00 0.00 C ATOM 588 C GLU A 43 181.658 8.298 -11.575 1.00 0.00 C ATOM 589 O GLU A 43 181.500 7.363 -12.359 1.00 0.00 O ATOM 590 CB GLU A 43 183.146 10.279 -11.323 1.00 0.00 C ATOM 591 CG GLU A 43 184.538 10.814 -11.073 1.00 0.00 C ATOM 592 CD GLU A 43 184.649 12.303 -11.334 1.00 0.00 C ATOM 593 OE1 GLU A 43 184.466 12.717 -12.499 1.00 0.00 O ATOM 594 OE2 GLU A 43 184.919 13.056 -10.375 1.00 0.00 O ATOM 0 H GLU A 43 184.697 8.737 -12.465 1.00 0.00 H new ATOM 0 HA GLU A 43 183.214 8.493 -10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 43 182.832 10.558 -12.329 1.00 0.00 H new ATOM 0 HB3 GLU A 43 182.451 10.753 -10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 43 184.822 10.608 -10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 43 185.246 10.284 -11.710 1.00 0.00 H new ATOM 656 N GLU A 48 174.121 4.104 -11.682 1.00 0.00 N ATOM 657 CA GLU A 48 174.631 3.081 -12.586 1.00 0.00 C ATOM 658 C GLU A 48 175.108 1.859 -11.810 1.00 0.00 C ATOM 659 O GLU A 48 175.508 1.963 -10.651 1.00 0.00 O ATOM 660 CB GLU A 48 175.775 3.645 -13.429 1.00 0.00 C ATOM 661 CG GLU A 48 175.320 4.642 -14.481 1.00 0.00 C ATOM 662 CD GLU A 48 175.215 4.025 -15.863 1.00 0.00 C ATOM 663 OE1 GLU A 48 175.956 3.058 -16.140 1.00 0.00 O ATOM 664 OE2 GLU A 48 174.390 4.508 -16.667 1.00 0.00 O ATOM 0 HA GLU A 48 173.819 2.774 -13.246 1.00 0.00 H new ATOM 0 HB2 GLU A 48 176.497 4.128 -12.770 1.00 0.00 H new ATOM 0 HB3 GLU A 48 176.293 2.822 -13.921 1.00 0.00 H new ATOM 0 HG2 GLU A 48 174.351 5.050 -14.195 1.00 0.00 H new ATOM 0 HG3 GLU A 48 176.020 5.477 -14.512 1.00 0.00 H new ATOM 671 N ALA A 49 175.053 0.700 -12.457 1.00 0.00 N ATOM 672 CA ALA A 49 175.465 -0.550 -11.835 1.00 0.00 C ATOM 673 C ALA A 49 176.895 -0.482 -11.301 1.00 0.00 C ATOM 674 O ALA A 49 177.272 -1.260 -10.425 1.00 0.00 O ATOM 675 CB ALA A 49 175.327 -1.695 -12.825 1.00 0.00 C ATOM 0 H ALA A 49 174.725 0.602 -13.418 1.00 0.00 H new ATOM 0 HA ALA A 49 174.808 -0.725 -10.983 1.00 0.00 H new ATOM 0 HB1 ALA A 49 175.638 -2.626 -12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.287 -1.779 -13.142 1.00 0.00 H new ATOM 0 HB3 ALA A 49 175.957 -1.503 -13.694 1.00 0.00 H new ATOM 681 N GLY A 50 177.691 0.441 -11.837 1.00 0.00 N ATOM 682 CA GLY A 50 179.072 0.579 -11.403 1.00 0.00 C ATOM 683 C GLY A 50 179.785 -0.756 -11.325 1.00 0.00 C ATOM 684 O GLY A 50 179.902 -1.467 -12.324 1.00 0.00 O ATOM 0 H GLY A 50 177.404 1.096 -12.564 1.00 0.00 H new ATOM 0 HA2 GLY A 50 179.604 1.233 -12.094 1.00 0.00 H new ATOM 0 HA3 GLY A 50 179.097 1.060 -10.425 1.00 0.00 H new ATOM 688 N HIS A 51 180.250 -1.104 -10.132 1.00 0.00 N ATOM 689 CA HIS A 51 180.941 -2.370 -9.918 1.00 0.00 C ATOM 690 C HIS A 51 180.374 -3.083 -8.698 1.00 0.00 C ATOM 691 O HIS A 51 179.557 -3.994 -8.827 1.00 0.00 O ATOM 692 CB HIS A 51 182.447 -2.146 -9.757 1.00 0.00 C ATOM 693 CG HIS A 51 183.264 -2.775 -10.842 1.00 0.00 C ATOM 694 ND1 HIS A 51 184.555 -2.386 -11.135 1.00 0.00 N ATOM 695 CD2 HIS A 51 182.968 -3.772 -11.710 1.00 0.00 C ATOM 696 CE1 HIS A 51 185.017 -3.114 -12.136 1.00 0.00 C ATOM 697 NE2 HIS A 51 184.073 -3.963 -12.503 1.00 0.00 N ATOM 0 H HIS A 51 180.161 -0.526 -9.296 1.00 0.00 H new ATOM 0 HA HIS A 51 180.783 -3.000 -10.794 1.00 0.00 H new ATOM 0 HB2 HIS A 51 182.647 -1.075 -9.737 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.765 -2.547 -8.795 1.00 0.00 H new ATOM 0 HD2 HIS A 51 182.037 -4.315 -11.768 1.00 0.00 H new ATOM 0 HE1 HIS A 51 185.998 -3.030 -12.579 1.00 0.00 H new ATOM 0 HE2 HIS A 51 184.152 -4.649 -13.254 1.00 0.00 H new ATOM 706 N TRP A 52 180.799 -2.657 -7.516 1.00 0.00 N ATOM 707 CA TRP A 52 180.312 -3.253 -6.281 1.00 0.00 C ATOM 708 C TRP A 52 178.807 -3.051 -6.168 1.00 0.00 C ATOM 709 O TRP A 52 178.349 -2.030 -5.657 1.00 0.00 O ATOM 710 CB TRP A 52 181.020 -2.635 -5.075 1.00 0.00 C ATOM 711 CG TRP A 52 182.475 -2.983 -5.004 1.00 0.00 C ATOM 712 CD1 TRP A 52 183.012 -4.178 -4.625 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.579 -2.127 -5.321 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.383 -4.120 -4.686 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.755 -2.871 -5.111 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.687 -0.805 -5.762 1.00 0.00 C ATOM 717 CZ2 TRP A 52 186.023 -2.337 -5.328 1.00 0.00 C ATOM 718 CZ3 TRP A 52 184.945 -0.276 -5.978 1.00 0.00 C ATOM 719 CH2 TRP A 52 186.098 -1.040 -5.761 1.00 0.00 C ATOM 0 H TRP A 52 181.476 -1.905 -7.387 1.00 0.00 H new ATOM 0 HA TRP A 52 180.527 -4.321 -6.297 1.00 0.00 H new ATOM 0 HB2 TRP A 52 180.914 -1.551 -5.115 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.528 -2.970 -4.162 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.442 -5.044 -4.321 1.00 0.00 H new ATOM 0 HE1 TRP A 52 185.020 -4.882 -4.453 1.00 0.00 H new ATOM 0 HE3 TRP A 52 182.803 -0.208 -5.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 186.914 -2.924 -5.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 185.041 0.744 -6.320 1.00 0.00 H new ATOM 0 HH2 TRP A 52 187.067 -0.597 -5.939 1.00 0.00 H new ATOM 730 N ALA A 53 178.049 -4.024 -6.667 1.00 0.00 N ATOM 731 CA ALA A 53 176.592 -3.967 -6.639 1.00 0.00 C ATOM 732 C ALA A 53 176.012 -5.119 -5.829 1.00 0.00 C ATOM 733 O ALA A 53 175.726 -6.185 -6.374 1.00 0.00 O ATOM 734 CB ALA A 53 176.036 -3.983 -8.055 1.00 0.00 C ATOM 0 H ALA A 53 178.425 -4.868 -7.099 1.00 0.00 H new ATOM 0 HA ALA A 53 176.300 -3.035 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.947 -3.940 -8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.415 -3.121 -8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.346 -4.899 -8.557 1.00 0.00 H new ATOM 740 N ARG A 54 175.855 -4.915 -4.528 1.00 0.00 N ATOM 741 CA ARG A 54 175.324 -5.958 -3.664 1.00 0.00 C ATOM 742 C ARG A 54 174.428 -5.386 -2.566 1.00 0.00 C ATOM 743 O ARG A 54 174.846 -4.528 -1.789 1.00 0.00 O ATOM 744 CB ARG A 54 176.486 -6.736 -3.055 1.00 0.00 C ATOM 745 CG ARG A 54 176.056 -7.980 -2.293 1.00 0.00 C ATOM 746 CD ARG A 54 176.502 -7.933 -0.839 1.00 0.00 C ATOM 747 NE ARG A 54 175.848 -8.962 -0.035 1.00 0.00 N ATOM 748 CZ ARG A 54 176.025 -9.103 1.277 1.00 0.00 C ATOM 749 NH1 ARG A 54 176.835 -8.284 1.936 1.00 0.00 N ATOM 750 NH2 ARG A 54 175.390 -10.066 1.933 1.00 0.00 N ATOM 0 H ARG A 54 176.086 -4.043 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 54 174.704 -6.624 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 54 177.173 -7.027 -3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 54 177.037 -6.080 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 54 174.971 -8.077 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 54 176.475 -8.864 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 54 177.583 -8.064 -0.786 1.00 0.00 H new ATOM 0 HD3 ARG A 54 176.279 -6.951 -0.422 1.00 0.00 H new ATOM 0 HE ARG A 54 175.218 -9.611 -0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 54 177.326 -7.542 1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 54 176.967 -8.397 2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 54 174.766 -10.699 1.432 1.00 0.00 H new ATOM 0 HH22 ARG A 54 175.526 -10.174 2.938 1.00 0.00 H new ATOM 764 N ASP A 55 173.192 -5.880 -2.508 1.00 0.00 N ATOM 765 CA ASP A 55 172.223 -5.439 -1.512 1.00 0.00 C ATOM 766 C ASP A 55 172.352 -6.263 -0.233 1.00 0.00 C ATOM 767 O ASP A 55 172.343 -7.492 -0.275 1.00 0.00 O ATOM 768 CB ASP A 55 170.806 -5.566 -2.070 1.00 0.00 C ATOM 769 CG ASP A 55 170.553 -6.914 -2.715 1.00 0.00 C ATOM 770 OD1 ASP A 55 171.062 -7.143 -3.832 1.00 0.00 O ATOM 771 OD2 ASP A 55 169.842 -7.740 -2.105 1.00 0.00 O ATOM 0 H ASP A 55 172.838 -6.592 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 55 172.424 -4.394 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 55 170.087 -5.412 -1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.636 -4.778 -2.804 1.00 0.00 H new ATOM 776 N ILE A 56 172.468 -5.580 0.903 1.00 0.00 N ATOM 777 CA ILE A 56 172.596 -6.259 2.187 1.00 0.00 C ATOM 778 C ILE A 56 171.284 -6.213 2.962 1.00 0.00 C ATOM 779 O ILE A 56 170.463 -5.318 2.759 1.00 0.00 O ATOM 780 CB ILE A 56 173.713 -5.637 3.048 1.00 0.00 C ATOM 781 CG1 ILE A 56 174.954 -5.359 2.195 1.00 0.00 C ATOM 782 CG2 ILE A 56 174.060 -6.555 4.210 1.00 0.00 C ATOM 783 CD1 ILE A 56 176.094 -4.738 2.972 1.00 0.00 C ATOM 0 H ILE A 56 172.476 -4.562 0.960 1.00 0.00 H new ATOM 0 HA ILE A 56 172.854 -7.296 1.972 1.00 0.00 H new ATOM 0 HB ILE A 56 173.353 -4.690 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 56 175.295 -6.293 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 56 174.680 -4.696 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 56 174.850 -6.102 4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 56 173.177 -6.707 4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 56 174.402 -7.516 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 56 176.939 -4.569 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 56 175.770 -3.787 3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 56 176.395 -5.410 3.776 1.00 0.00 H new ATOM 795 N THR A 57 171.092 -7.182 3.852 1.00 0.00 N ATOM 796 CA THR A 57 169.876 -7.249 4.657 1.00 0.00 C ATOM 797 C THR A 57 170.158 -7.867 6.024 1.00 0.00 C ATOM 798 O THR A 57 169.408 -8.721 6.497 1.00 0.00 O ATOM 799 CB THR A 57 168.803 -8.060 3.928 1.00 0.00 C ATOM 800 OG1 THR A 57 169.050 -8.080 2.533 1.00 0.00 O ATOM 801 CG2 THR A 57 167.403 -7.526 4.139 1.00 0.00 C ATOM 0 H THR A 57 171.761 -7.930 4.034 1.00 0.00 H new ATOM 0 HA THR A 57 169.514 -6.232 4.808 1.00 0.00 H new ATOM 0 HB THR A 57 168.860 -9.062 4.353 1.00 0.00 H new ATOM 0 HG1 THR A 57 168.354 -8.605 2.085 1.00 0.00 H new ATOM 0 HG21 THR A 57 166.691 -8.147 3.595 1.00 0.00 H new ATOM 0 HG22 THR A 57 167.163 -7.545 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 57 167.345 -6.501 3.772 1.00 0.00 H new ATOM 809 N LYS A 58 171.241 -7.429 6.655 1.00 0.00 N ATOM 810 CA LYS A 58 171.620 -7.938 7.967 1.00 0.00 C ATOM 811 C LYS A 58 172.851 -7.208 8.502 1.00 0.00 C ATOM 812 O LYS A 58 173.983 -7.594 8.214 1.00 0.00 O ATOM 813 CB LYS A 58 171.901 -9.440 7.893 1.00 0.00 C ATOM 814 CG LYS A 58 172.045 -10.100 9.255 1.00 0.00 C ATOM 815 CD LYS A 58 173.257 -11.018 9.307 1.00 0.00 C ATOM 816 CE LYS A 58 172.993 -12.239 10.172 1.00 0.00 C ATOM 817 NZ LYS A 58 173.498 -12.056 11.560 1.00 0.00 N ATOM 0 H LYS A 58 171.873 -6.722 6.279 1.00 0.00 H new ATOM 0 HA LYS A 58 170.788 -7.762 8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 58 171.093 -9.926 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 58 172.815 -9.603 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 58 172.136 -9.333 10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 58 171.145 -10.672 9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 58 173.518 -11.335 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 58 174.113 -10.470 9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 58 171.922 -12.440 10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 58 173.470 -13.111 9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 173.298 -12.911 12.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 174.524 -11.889 11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 173.025 -11.239 11.997 1.00 0.00 H new ATOM 831 N PRO A 59 172.647 -6.139 9.292 1.00 0.00 N ATOM 832 CA PRO A 59 173.751 -5.359 9.862 1.00 0.00 C ATOM 833 C PRO A 59 174.761 -6.237 10.592 1.00 0.00 C ATOM 834 O PRO A 59 174.637 -7.462 10.614 1.00 0.00 O ATOM 835 CB PRO A 59 173.056 -4.425 10.854 1.00 0.00 C ATOM 836 CG PRO A 59 171.667 -4.287 10.336 1.00 0.00 C ATOM 837 CD PRO A 59 171.330 -5.605 9.690 1.00 0.00 C ATOM 0 HA PRO A 59 174.320 -4.840 9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 59 173.063 -4.841 11.861 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.557 -3.458 10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.971 -4.059 11.143 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.599 -3.471 9.616 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.819 -6.273 10.383 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.673 -5.474 8.830 1.00 0.00 H new ATOM 845 N LYS A 60 175.755 -5.597 11.195 1.00 0.00 N ATOM 846 CA LYS A 60 176.787 -6.312 11.939 1.00 0.00 C ATOM 847 C LYS A 60 176.698 -5.973 13.422 1.00 0.00 C ATOM 848 O LYS A 60 176.762 -6.852 14.281 1.00 0.00 O ATOM 849 CB LYS A 60 178.175 -5.955 11.402 1.00 0.00 C ATOM 850 CG LYS A 60 179.308 -6.671 12.120 1.00 0.00 C ATOM 851 CD LYS A 60 179.771 -7.897 11.352 1.00 0.00 C ATOM 852 CE LYS A 60 180.850 -8.655 12.111 1.00 0.00 C ATOM 853 NZ LYS A 60 182.073 -7.829 12.310 1.00 0.00 N ATOM 0 H LYS A 60 175.869 -4.583 11.184 1.00 0.00 H new ATOM 0 HA LYS A 60 176.627 -7.383 11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 60 178.218 -6.198 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 60 178.323 -4.879 11.489 1.00 0.00 H new ATOM 0 HG2 LYS A 60 180.146 -5.986 12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 60 178.978 -6.968 13.116 1.00 0.00 H new ATOM 0 HD2 LYS A 60 178.922 -8.556 11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 60 180.154 -7.594 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 60 180.461 -8.967 13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 60 181.109 -9.562 11.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 182.840 -8.428 12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 182.362 -7.412 11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 181.872 -7.069 12.991 1.00 0.00 H new ATOM 867 N GLU A 61 176.538 -4.687 13.705 1.00 0.00 N ATOM 868 CA GLU A 61 176.424 -4.198 15.074 1.00 0.00 C ATOM 869 C GLU A 61 176.300 -2.687 15.067 1.00 0.00 C ATOM 870 O GLU A 61 177.290 -1.966 15.184 1.00 0.00 O ATOM 871 CB GLU A 61 177.627 -4.635 15.914 1.00 0.00 C ATOM 872 CG GLU A 61 177.248 -5.181 17.282 1.00 0.00 C ATOM 873 CD GLU A 61 178.450 -5.657 18.073 1.00 0.00 C ATOM 874 OE1 GLU A 61 179.468 -4.937 18.095 1.00 0.00 O ATOM 875 OE2 GLU A 61 178.371 -6.753 18.669 1.00 0.00 O ATOM 0 H GLU A 61 176.484 -3.956 12.996 1.00 0.00 H new ATOM 0 HA GLU A 61 175.530 -4.628 15.525 1.00 0.00 H new ATOM 0 HB2 GLU A 61 178.182 -5.398 15.369 1.00 0.00 H new ATOM 0 HB3 GLU A 61 178.297 -3.785 16.044 1.00 0.00 H new ATOM 0 HG2 GLU A 61 176.729 -4.407 17.847 1.00 0.00 H new ATOM 0 HG3 GLU A 61 176.549 -6.008 17.158 1.00 0.00 H new ATOM 882 N GLY A 62 175.072 -2.214 14.883 1.00 0.00 N ATOM 883 CA GLY A 62 174.840 -0.790 14.809 1.00 0.00 C ATOM 884 C GLY A 62 175.344 -0.227 13.495 1.00 0.00 C ATOM 885 O GLY A 62 175.191 0.963 13.217 1.00 0.00 O ATOM 0 H GLY A 62 174.238 -2.792 14.784 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.774 -0.585 14.912 1.00 0.00 H new ATOM 0 HA3 GLY A 62 175.342 -0.292 15.639 1.00 0.00 H new ATOM 889 N ARG A 63 175.950 -1.098 12.681 1.00 0.00 N ATOM 890 CA ARG A 63 176.484 -0.702 11.380 1.00 0.00 C ATOM 891 C ARG A 63 176.593 -1.911 10.457 1.00 0.00 C ATOM 892 O ARG A 63 176.843 -3.026 10.916 1.00 0.00 O ATOM 893 CB ARG A 63 177.864 -0.045 11.529 1.00 0.00 C ATOM 894 CG ARG A 63 178.045 0.738 12.821 1.00 0.00 C ATOM 895 CD ARG A 63 179.482 1.207 12.989 1.00 0.00 C ATOM 896 NE ARG A 63 180.290 0.242 13.732 1.00 0.00 N ATOM 897 CZ ARG A 63 181.441 0.543 14.330 1.00 0.00 C ATOM 898 NH1 ARG A 63 181.925 1.777 14.273 1.00 0.00 N ATOM 899 NH2 ARG A 63 182.110 -0.395 14.988 1.00 0.00 N ATOM 0 H ARG A 63 176.082 -2.085 12.904 1.00 0.00 H new ATOM 0 HA ARG A 63 175.795 0.022 10.945 1.00 0.00 H new ATOM 0 HB2 ARG A 63 178.630 -0.819 11.476 1.00 0.00 H new ATOM 0 HB3 ARG A 63 178.028 0.625 10.685 1.00 0.00 H new ATOM 0 HG2 ARG A 63 177.377 1.599 12.823 1.00 0.00 H new ATOM 0 HG3 ARG A 63 177.763 0.114 13.669 1.00 0.00 H new ATOM 0 HD2 ARG A 63 179.926 1.372 12.008 1.00 0.00 H new ATOM 0 HD3 ARG A 63 179.492 2.165 13.509 1.00 0.00 H new ATOM 0 HE ARG A 63 179.952 -0.718 13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 63 181.415 2.502 13.769 1.00 0.00 H new ATOM 0 HH12 ARG A 63 182.807 2.001 14.733 1.00 0.00 H new ATOM 0 HH21 ARG A 63 181.742 -1.345 15.035 1.00 0.00 H new ATOM 0 HH22 ARG A 63 182.992 -0.166 15.447 1.00 0.00 H new ATOM 913 N TRP A 64 176.428 -1.689 9.157 1.00 0.00 N ATOM 914 CA TRP A 64 176.534 -2.765 8.193 1.00 0.00 C ATOM 915 C TRP A 64 177.971 -2.892 7.711 1.00 0.00 C ATOM 916 O TRP A 64 178.747 -1.937 7.785 1.00 0.00 O ATOM 917 CB TRP A 64 175.617 -2.517 7.003 1.00 0.00 C ATOM 918 CG TRP A 64 174.203 -2.191 7.378 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.784 -1.204 8.220 1.00 0.00 C ATOM 920 CD2 TRP A 64 173.019 -2.856 6.921 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.414 -1.216 8.313 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.921 -2.218 7.525 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.779 -3.929 6.057 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.606 -2.615 7.295 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.471 -4.322 5.830 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.400 -3.666 6.448 1.00 0.00 C ATOM 0 H TRP A 64 176.221 -0.775 8.753 1.00 0.00 H new ATOM 0 HA TRP A 64 176.231 -3.691 8.681 1.00 0.00 H new ATOM 0 HB2 TRP A 64 176.023 -1.697 6.410 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.618 -3.402 6.366 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.434 -0.514 8.738 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.854 -0.579 8.880 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.599 -4.442 5.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.778 -2.109 7.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.274 -5.149 5.164 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.391 -3.998 6.251 1.00 0.00 H new ATOM 937 N THR A 65 178.314 -4.071 7.217 1.00 0.00 N ATOM 938 CA THR A 65 179.660 -4.327 6.719 1.00 0.00 C ATOM 939 C THR A 65 179.623 -5.056 5.381 1.00 0.00 C ATOM 940 O THR A 65 179.185 -6.203 5.300 1.00 0.00 O ATOM 941 CB THR A 65 180.453 -5.147 7.738 1.00 0.00 C ATOM 942 OG1 THR A 65 180.132 -4.752 9.060 1.00 0.00 O ATOM 943 CG2 THR A 65 181.952 -5.017 7.572 1.00 0.00 C ATOM 0 H THR A 65 177.680 -4.867 7.149 1.00 0.00 H new ATOM 0 HA THR A 65 180.152 -3.366 6.570 1.00 0.00 H new ATOM 0 HB THR A 65 180.171 -6.184 7.557 1.00 0.00 H new ATOM 0 HG1 THR A 65 180.648 -5.289 9.696 1.00 0.00 H new ATOM 0 HG21 THR A 65 182.455 -5.623 8.325 1.00 0.00 H new ATOM 0 HG22 THR A 65 182.239 -5.361 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 65 182.242 -3.973 7.693 1.00 0.00 H new ATOM 951 N PHE A 66 180.096 -4.388 4.336 1.00 0.00 N ATOM 952 CA PHE A 66 180.127 -4.979 3.004 1.00 0.00 C ATOM 953 C PHE A 66 181.558 -5.330 2.611 1.00 0.00 C ATOM 954 O PHE A 66 182.269 -4.517 2.020 1.00 0.00 O ATOM 955 CB PHE A 66 179.507 -4.021 1.978 1.00 0.00 C ATOM 956 CG PHE A 66 179.721 -4.438 0.550 1.00 0.00 C ATOM 957 CD1 PHE A 66 179.231 -5.647 0.084 1.00 0.00 C ATOM 958 CD2 PHE A 66 180.415 -3.617 -0.326 1.00 0.00 C ATOM 959 CE1 PHE A 66 179.428 -6.031 -1.228 1.00 0.00 C ATOM 960 CE2 PHE A 66 180.614 -3.996 -1.640 1.00 0.00 C ATOM 961 CZ PHE A 66 180.120 -5.205 -2.091 1.00 0.00 C ATOM 0 H PHE A 66 180.463 -3.438 4.385 1.00 0.00 H new ATOM 0 HA PHE A 66 179.538 -5.896 3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.436 -3.944 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 66 179.928 -3.026 2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 66 178.689 -6.297 0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 66 180.804 -2.672 0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 66 179.041 -6.976 -1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 66 181.155 -3.348 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 66 180.275 -5.503 -3.117 1.00 0.00 H new ATOM 971 N ARG A 67 181.973 -6.544 2.951 1.00 0.00 N ATOM 972 CA ARG A 67 183.321 -7.006 2.641 1.00 0.00 C ATOM 973 C ARG A 67 183.346 -7.787 1.332 1.00 0.00 C ATOM 974 O ARG A 67 182.400 -8.506 1.006 1.00 0.00 O ATOM 975 CB ARG A 67 183.856 -7.881 3.776 1.00 0.00 C ATOM 976 CG ARG A 67 183.948 -7.159 5.111 1.00 0.00 C ATOM 977 CD ARG A 67 183.371 -7.996 6.242 1.00 0.00 C ATOM 978 NE ARG A 67 183.905 -9.355 6.246 1.00 0.00 N ATOM 979 CZ ARG A 67 185.092 -9.683 6.752 1.00 0.00 C ATOM 980 NH1 ARG A 67 185.872 -8.753 7.291 1.00 0.00 N ATOM 981 NH2 ARG A 67 185.502 -10.943 6.719 1.00 0.00 N ATOM 0 H ARG A 67 181.396 -7.227 3.442 1.00 0.00 H new ATOM 0 HA ARG A 67 183.959 -6.129 2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 67 183.210 -8.752 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 67 184.845 -8.250 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 67 184.990 -6.924 5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 67 183.413 -6.211 5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 67 183.592 -7.517 7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 67 182.286 -8.033 6.148 1.00 0.00 H new ATOM 0 HE ARG A 67 183.336 -10.096 5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 67 185.563 -7.781 7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 67 186.780 -9.010 7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 67 184.908 -11.662 6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 67 186.411 -11.194 7.107 1.00 0.00 H new ATOM 995 N ASP A 68 184.437 -7.642 0.588 1.00 0.00 N ATOM 996 CA ASP A 68 184.595 -8.334 -0.685 1.00 0.00 C ATOM 997 C ASP A 68 186.012 -8.878 -0.827 1.00 0.00 C ATOM 998 O ASP A 68 186.959 -8.116 -1.011 1.00 0.00 O ATOM 999 CB ASP A 68 184.275 -7.390 -1.846 1.00 0.00 C ATOM 1000 CG ASP A 68 183.323 -8.012 -2.849 1.00 0.00 C ATOM 1001 OD1 ASP A 68 183.388 -9.245 -3.043 1.00 0.00 O ATOM 1002 OD2 ASP A 68 182.512 -7.268 -3.439 1.00 0.00 O ATOM 0 H ASP A 68 185.227 -7.050 0.846 1.00 0.00 H new ATOM 0 HA ASP A 68 183.898 -9.171 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 68 183.837 -6.472 -1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 68 185.200 -7.112 -2.351 1.00 0.00 H new ATOM 1007 N ARG A 69 186.147 -10.197 -0.734 1.00 0.00 N ATOM 1008 CA ARG A 69 187.449 -10.849 -0.847 1.00 0.00 C ATOM 1009 C ARG A 69 187.777 -11.199 -2.299 1.00 0.00 C ATOM 1010 O ARG A 69 188.588 -12.086 -2.561 1.00 0.00 O ATOM 1011 CB ARG A 69 187.481 -12.114 0.015 1.00 0.00 C ATOM 1012 CG ARG A 69 188.151 -11.916 1.364 1.00 0.00 C ATOM 1013 CD ARG A 69 189.588 -12.414 1.353 1.00 0.00 C ATOM 1014 NE ARG A 69 190.025 -12.856 2.674 1.00 0.00 N ATOM 1015 CZ ARG A 69 190.275 -12.029 3.687 1.00 0.00 C ATOM 1016 NH1 ARG A 69 190.133 -10.719 3.535 1.00 0.00 N ATOM 1017 NH2 ARG A 69 190.671 -12.515 4.858 1.00 0.00 N ATOM 0 H ARG A 69 185.369 -10.838 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 69 188.204 -10.148 -0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 69 186.460 -12.461 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 69 188.004 -12.901 -0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 69 188.134 -10.859 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 69 187.587 -12.446 2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 69 189.680 -13.239 0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 69 190.245 -11.618 1.002 1.00 0.00 H new ATOM 0 HE ARG A 69 190.146 -13.857 2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 69 189.831 -10.340 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 69 190.326 -10.091 4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 69 190.783 -13.521 4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 69 190.863 -11.882 5.634 1.00 0.00 H new ATOM 1031 N ASN A 70 187.142 -10.503 -3.237 1.00 0.00 N ATOM 1032 CA ASN A 70 187.373 -10.752 -4.656 1.00 0.00 C ATOM 1033 C ASN A 70 187.388 -9.448 -5.444 1.00 0.00 C ATOM 1034 O ASN A 70 187.044 -9.422 -6.627 1.00 0.00 O ATOM 1035 CB ASN A 70 186.297 -11.687 -5.212 1.00 0.00 C ATOM 1036 CG ASN A 70 184.898 -11.246 -4.833 1.00 0.00 C ATOM 1037 OD1 ASN A 70 184.495 -10.115 -5.105 1.00 0.00 O ATOM 1038 ND2 ASN A 70 184.146 -12.140 -4.200 1.00 0.00 N ATOM 0 H ASN A 70 186.466 -9.765 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 70 188.348 -11.228 -4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 70 186.381 -11.728 -6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 70 186.470 -12.697 -4.841 1.00 0.00 H new ATOM 0 HD21 ASN A 70 183.195 -11.900 -3.920 1.00 0.00 H new ATOM 0 HD22 ASN A 70 184.520 -13.067 -3.994 1.00 0.00 H new ATOM 1045 N ALA A 71 187.786 -8.369 -4.784 1.00 0.00 N ATOM 1046 CA ALA A 71 187.848 -7.062 -5.425 1.00 0.00 C ATOM 1047 C ALA A 71 189.249 -6.778 -5.953 1.00 0.00 C ATOM 1048 O ALA A 71 190.203 -6.668 -5.183 1.00 0.00 O ATOM 1049 CB ALA A 71 187.419 -5.976 -4.449 1.00 0.00 C ATOM 0 H ALA A 71 188.071 -8.373 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 71 187.162 -7.065 -6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.470 -5.004 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.396 -6.164 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 71 188.083 -5.981 -3.585 1.00 0.00 H new ATOM 1055 N LYS A 72 189.367 -6.658 -7.271 1.00 0.00 N ATOM 1056 CA LYS A 72 190.656 -6.385 -7.899 1.00 0.00 C ATOM 1057 C LYS A 72 191.067 -4.935 -7.673 1.00 0.00 C ATOM 1058 O LYS A 72 190.975 -4.103 -8.574 1.00 0.00 O ATOM 1059 CB LYS A 72 190.593 -6.684 -9.397 1.00 0.00 C ATOM 1060 CG LYS A 72 191.959 -6.817 -10.048 1.00 0.00 C ATOM 1061 CD LYS A 72 191.849 -6.914 -11.562 1.00 0.00 C ATOM 1062 CE LYS A 72 192.865 -7.888 -12.133 1.00 0.00 C ATOM 1063 NZ LYS A 72 192.482 -9.305 -11.879 1.00 0.00 N ATOM 0 H LYS A 72 188.588 -6.745 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 72 191.403 -7.034 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 72 190.035 -7.607 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 72 190.038 -5.889 -9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 72 192.575 -5.958 -9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 72 192.463 -7.703 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 72 190.843 -7.234 -11.835 1.00 0.00 H new ATOM 0 HD3 LYS A 72 192.001 -5.929 -12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 72 192.960 -7.725 -13.206 1.00 0.00 H new ATOM 0 HE3 LYS A 72 193.843 -7.692 -11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 193.332 -9.904 -11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 192.028 -9.380 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 191.817 -9.622 -12.614 1.00 0.00 H new ATOM 1077 N LEU A 73 191.522 -4.640 -6.458 1.00 0.00 N ATOM 1078 CA LEU A 73 191.947 -3.291 -6.107 1.00 0.00 C ATOM 1079 C LEU A 73 193.458 -3.146 -6.240 1.00 0.00 C ATOM 1080 O LEU A 73 194.210 -4.066 -5.917 1.00 0.00 O ATOM 1081 CB LEU A 73 191.517 -2.954 -4.680 1.00 0.00 C ATOM 1082 CG LEU A 73 190.005 -2.892 -4.457 1.00 0.00 C ATOM 1083 CD1 LEU A 73 189.691 -2.705 -2.979 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.391 -1.769 -5.279 1.00 0.00 C ATOM 0 H LEU A 73 191.605 -5.318 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 73 191.470 -2.596 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 73 191.938 -3.698 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 73 191.949 -1.992 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 73 189.569 -3.836 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 73 188.611 -2.663 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 73 190.098 -3.542 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.139 -1.776 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.315 -1.739 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 73 189.832 -0.818 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.586 -1.944 -6.337 1.00 0.00 H new ATOM 1096 N LYS A 74 193.899 -1.987 -6.714 1.00 0.00 N ATOM 1097 CA LYS A 74 195.322 -1.723 -6.887 1.00 0.00 C ATOM 1098 C LYS A 74 195.698 -0.373 -6.289 1.00 0.00 C ATOM 1099 O LYS A 74 194.936 0.590 -6.376 1.00 0.00 O ATOM 1100 CB LYS A 74 195.697 -1.768 -8.370 1.00 0.00 C ATOM 1101 CG LYS A 74 194.832 -0.874 -9.244 1.00 0.00 C ATOM 1102 CD LYS A 74 194.613 -1.483 -10.620 1.00 0.00 C ATOM 1103 CE LYS A 74 193.598 -2.615 -10.573 1.00 0.00 C ATOM 1104 NZ LYS A 74 194.240 -3.922 -10.258 1.00 0.00 N ATOM 0 H LYS A 74 193.291 -1.214 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 74 195.878 -2.499 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 74 196.740 -1.472 -8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 74 195.618 -2.795 -8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 74 193.869 -0.712 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 74 195.305 0.102 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 74 194.269 -0.712 -11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 74 195.560 -1.858 -11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 74 192.840 -2.392 -9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 74 193.086 -2.684 -11.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 193.832 -4.664 -10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 195.263 -3.857 -10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 194.073 -4.159 -9.259 1.00 0.00 H new ATOM 1118 N LEU A 75 196.877 -0.311 -5.679 1.00 0.00 N ATOM 1119 CA LEU A 75 197.356 0.919 -5.059 1.00 0.00 C ATOM 1120 C LEU A 75 197.398 2.063 -6.065 1.00 0.00 C ATOM 1121 O LEU A 75 197.935 1.921 -7.163 1.00 0.00 O ATOM 1122 CB LEU A 75 198.747 0.701 -4.458 1.00 0.00 C ATOM 1123 CG LEU A 75 199.061 1.540 -3.220 1.00 0.00 C ATOM 1124 CD1 LEU A 75 200.097 0.843 -2.349 1.00 0.00 C ATOM 1125 CD2 LEU A 75 199.551 2.923 -3.625 1.00 0.00 C ATOM 0 H LEU A 75 197.519 -1.100 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 75 196.659 1.189 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 75 198.852 -0.353 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.493 0.917 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 75 198.145 1.653 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 75 200.307 1.456 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 75 199.712 -0.126 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 75 201.014 0.699 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 75 199.770 3.507 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 75 200.455 2.827 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 75 198.779 3.426 -4.208 1.00 0.00 H new ATOM 1137 N GLY A 76 196.820 3.194 -5.679 1.00 0.00 N ATOM 1138 CA GLY A 76 196.793 4.348 -6.555 1.00 0.00 C ATOM 1139 C GLY A 76 195.422 4.581 -7.148 1.00 0.00 C ATOM 1140 O GLY A 76 195.056 5.713 -7.465 1.00 0.00 O ATOM 0 H GLY A 76 196.369 3.332 -4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.101 5.233 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.516 4.209 -7.359 1.00 0.00 H new ATOM 1144 N ASP A 77 194.661 3.504 -7.300 1.00 0.00 N ATOM 1145 CA ASP A 77 193.327 3.589 -7.860 1.00 0.00 C ATOM 1146 C ASP A 77 192.395 4.360 -6.930 1.00 0.00 C ATOM 1147 O ASP A 77 192.598 4.394 -5.715 1.00 0.00 O ATOM 1148 CB ASP A 77 192.770 2.189 -8.126 1.00 0.00 C ATOM 1149 CG ASP A 77 191.560 2.212 -9.039 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.529 2.797 -8.644 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.643 1.648 -10.150 1.00 0.00 O ATOM 0 H ASP A 77 194.950 2.561 -7.041 1.00 0.00 H new ATOM 0 HA ASP A 77 193.390 4.128 -8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.548 1.571 -8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.498 1.723 -7.179 1.00 0.00 H new ATOM 1156 N LYS A 78 191.373 4.976 -7.513 1.00 0.00 N ATOM 1157 CA LYS A 78 190.403 5.747 -6.747 1.00 0.00 C ATOM 1158 C LYS A 78 189.048 5.048 -6.733 1.00 0.00 C ATOM 1159 O LYS A 78 188.769 4.198 -7.578 1.00 0.00 O ATOM 1160 CB LYS A 78 190.258 7.150 -7.340 1.00 0.00 C ATOM 1161 CG LYS A 78 189.394 8.079 -6.503 1.00 0.00 C ATOM 1162 CD LYS A 78 189.751 9.538 -6.745 1.00 0.00 C ATOM 1163 CE LYS A 78 190.729 10.052 -5.702 1.00 0.00 C ATOM 1164 NZ LYS A 78 192.100 9.513 -5.913 1.00 0.00 N ATOM 0 H LYS A 78 191.195 4.956 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 78 190.763 5.827 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.248 7.592 -7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.829 7.070 -8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 78 188.343 7.915 -6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 78 189.520 7.842 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 78 190.186 9.647 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 78 188.845 10.144 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 78 190.758 11.141 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 78 190.379 9.774 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 192.769 10.013 -5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 192.112 8.498 -5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 192.379 9.652 -6.905 1.00 0.00 H new ATOM 1178 N ILE A 79 188.216 5.406 -5.765 1.00 0.00 N ATOM 1179 CA ILE A 79 186.892 4.810 -5.631 1.00 0.00 C ATOM 1180 C ILE A 79 185.780 5.835 -5.861 1.00 0.00 C ATOM 1181 O ILE A 79 185.897 6.995 -5.468 1.00 0.00 O ATOM 1182 CB ILE A 79 186.709 4.101 -4.267 1.00 0.00 C ATOM 1183 CG1 ILE A 79 187.028 2.613 -4.421 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.295 4.281 -3.726 1.00 0.00 C ATOM 1185 CD1 ILE A 79 188.509 2.303 -4.384 1.00 0.00 C ATOM 0 H ILE A 79 188.434 6.108 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 79 186.815 4.052 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 79 187.395 4.554 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 79 186.530 2.059 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 79 186.614 2.257 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.204 3.770 -2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 79 185.089 5.343 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 79 184.579 3.859 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 79 188.659 1.230 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 79 189.011 2.829 -5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 79 188.925 2.627 -3.430 1.00 0.00 H new ATOM 1197 N TYR A 80 184.692 5.380 -6.468 1.00 0.00 N ATOM 1198 CA TYR A 80 183.532 6.227 -6.724 1.00 0.00 C ATOM 1199 C TYR A 80 182.267 5.389 -6.575 1.00 0.00 C ATOM 1200 O TYR A 80 182.119 4.369 -7.250 1.00 0.00 O ATOM 1201 CB TYR A 80 183.615 6.849 -8.119 1.00 0.00 C ATOM 1202 CG TYR A 80 184.650 7.948 -8.220 1.00 0.00 C ATOM 1203 CD1 TYR A 80 184.455 9.170 -7.589 1.00 0.00 C ATOM 1204 CD2 TYR A 80 185.821 7.761 -8.942 1.00 0.00 C ATOM 1205 CE1 TYR A 80 185.400 10.176 -7.676 1.00 0.00 C ATOM 1206 CE2 TYR A 80 186.771 8.762 -9.033 1.00 0.00 C ATOM 1207 CZ TYR A 80 186.555 9.966 -8.398 1.00 0.00 C ATOM 1208 OH TYR A 80 187.498 10.964 -8.485 1.00 0.00 O ATOM 0 H TYR A 80 184.587 4.420 -6.795 1.00 0.00 H new ATOM 0 HA TYR A 80 183.510 7.044 -6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.850 6.070 -8.844 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.639 7.252 -8.389 1.00 0.00 H new ATOM 0 HD1 TYR A 80 183.551 9.337 -7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 80 185.993 6.819 -9.441 1.00 0.00 H new ATOM 0 HE1 TYR A 80 185.234 11.121 -7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 80 187.677 8.601 -9.598 1.00 0.00 H new ATOM 0 HH TYR A 80 188.252 10.655 -9.029 1.00 0.00 H new ATOM 1218 N PHE A 81 181.373 5.782 -5.668 1.00 0.00 N ATOM 1219 CA PHE A 81 180.164 4.992 -5.446 1.00 0.00 C ATOM 1220 C PHE A 81 179.033 5.779 -4.807 1.00 0.00 C ATOM 1221 O PHE A 81 179.109 6.991 -4.610 1.00 0.00 O ATOM 1222 CB PHE A 81 180.484 3.812 -4.528 1.00 0.00 C ATOM 1223 CG PHE A 81 181.128 4.223 -3.235 1.00 0.00 C ATOM 1224 CD1 PHE A 81 182.392 4.793 -3.218 1.00 0.00 C ATOM 1225 CD2 PHE A 81 180.461 4.048 -2.033 1.00 0.00 C ATOM 1226 CE1 PHE A 81 182.975 5.179 -2.027 1.00 0.00 C ATOM 1227 CE2 PHE A 81 181.040 4.432 -0.839 1.00 0.00 C ATOM 1228 CZ PHE A 81 182.299 4.998 -0.836 1.00 0.00 C ATOM 0 H PHE A 81 181.458 6.618 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 81 179.833 4.666 -6.432 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.564 3.269 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.145 3.122 -5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 81 182.926 4.937 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 81 179.476 3.606 -2.030 1.00 0.00 H new ATOM 0 HE1 PHE A 81 183.960 5.623 -2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 81 180.509 4.290 0.090 1.00 0.00 H new ATOM 0 HZ PHE A 81 182.755 5.299 0.096 1.00 0.00 H new ATOM 1238 N TRP A 82 177.995 5.027 -4.459 1.00 0.00 N ATOM 1239 CA TRP A 82 176.813 5.556 -3.798 1.00 0.00 C ATOM 1240 C TRP A 82 176.135 4.433 -3.021 1.00 0.00 C ATOM 1241 O TRP A 82 175.980 3.325 -3.532 1.00 0.00 O ATOM 1242 CB TRP A 82 175.848 6.189 -4.805 1.00 0.00 C ATOM 1243 CG TRP A 82 175.227 5.220 -5.765 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.772 4.760 -6.927 1.00 0.00 C ATOM 1245 CD2 TRP A 82 173.937 4.607 -5.655 1.00 0.00 C ATOM 1246 NE1 TRP A 82 174.902 3.901 -7.549 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.769 3.786 -6.787 1.00 0.00 C ATOM 1248 CE3 TRP A 82 172.910 4.669 -4.709 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.614 3.035 -6.998 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.764 3.923 -4.919 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.625 3.115 -6.055 1.00 0.00 C ATOM 0 H TRP A 82 177.952 4.022 -4.631 1.00 0.00 H new ATOM 0 HA TRP A 82 177.113 6.344 -3.107 1.00 0.00 H new ATOM 0 HB2 TRP A 82 175.054 6.698 -4.258 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.383 6.951 -5.372 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.747 5.032 -7.303 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.071 3.425 -8.435 1.00 0.00 H new ATOM 0 HE3 TRP A 82 173.009 5.288 -3.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.503 2.413 -7.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 170.963 3.964 -4.195 1.00 0.00 H new ATOM 0 HH2 TRP A 82 170.719 2.543 -6.190 1.00 0.00 H new ATOM 1262 N THR A 83 175.750 4.709 -1.778 1.00 0.00 N ATOM 1263 CA THR A 83 175.114 3.683 -0.947 1.00 0.00 C ATOM 1264 C THR A 83 173.607 3.860 -0.935 1.00 0.00 C ATOM 1265 O THR A 83 173.111 4.893 -1.353 1.00 0.00 O ATOM 1266 CB THR A 83 175.659 3.733 0.480 1.00 0.00 C ATOM 1267 OG1 THR A 83 175.676 5.063 0.966 1.00 0.00 O ATOM 1268 CG2 THR A 83 177.062 3.179 0.600 1.00 0.00 C ATOM 0 H THR A 83 175.863 5.617 -1.327 1.00 0.00 H new ATOM 0 HA THR A 83 175.346 2.709 -1.377 1.00 0.00 H new ATOM 0 HB THR A 83 174.987 3.110 1.070 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.027 5.072 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.391 3.243 1.637 1.00 0.00 H new ATOM 0 HG22 THR A 83 177.070 2.137 0.280 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.737 3.757 -0.031 1.00 0.00 H new ATOM 1276 N TYR A 84 172.881 2.844 -0.476 1.00 0.00 N ATOM 1277 CA TYR A 84 171.431 2.908 -0.439 1.00 0.00 C ATOM 1278 C TYR A 84 170.876 2.131 0.752 1.00 0.00 C ATOM 1279 O TYR A 84 170.893 0.903 0.763 1.00 0.00 O ATOM 1280 CB TYR A 84 170.874 2.336 -1.735 1.00 0.00 C ATOM 1281 CG TYR A 84 169.368 2.425 -1.854 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.689 3.572 -1.466 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.627 1.363 -2.360 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.314 3.661 -1.578 1.00 0.00 C ATOM 1285 CE2 TYR A 84 167.252 1.445 -2.475 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.601 2.594 -2.083 1.00 0.00 C ATOM 1287 OH TYR A 84 165.233 2.680 -2.197 1.00 0.00 O ATOM 0 H TYR A 84 173.276 1.971 -0.126 1.00 0.00 H new ATOM 0 HA TYR A 84 171.129 3.950 -0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 84 171.326 2.863 -2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 84 171.173 1.291 -1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.245 4.409 -1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 84 169.133 0.460 -2.668 1.00 0.00 H new ATOM 0 HE1 TYR A 84 166.801 4.561 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.690 0.612 -2.871 1.00 0.00 H new ATOM 0 HH TYR A 84 164.883 1.845 -2.571 1.00 0.00 H new ATOM 1297 N VAL A 85 170.373 2.849 1.750 1.00 0.00 N ATOM 1298 CA VAL A 85 169.807 2.209 2.937 1.00 0.00 C ATOM 1299 C VAL A 85 168.279 2.238 2.864 1.00 0.00 C ATOM 1300 O VAL A 85 167.712 2.980 2.068 1.00 0.00 O ATOM 1301 CB VAL A 85 170.302 2.881 4.257 1.00 0.00 C ATOM 1302 CG1 VAL A 85 171.181 4.087 3.963 1.00 0.00 C ATOM 1303 CG2 VAL A 85 169.145 3.288 5.163 1.00 0.00 C ATOM 0 H VAL A 85 170.344 3.869 1.764 1.00 0.00 H new ATOM 0 HA VAL A 85 170.151 1.175 2.953 1.00 0.00 H new ATOM 0 HB VAL A 85 170.894 2.133 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 85 171.511 4.534 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 85 172.050 3.772 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.613 4.821 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.537 3.751 6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 85 168.506 3.999 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.564 2.405 5.429 1.00 0.00 H new ATOM 1313 N ILE A 86 167.620 1.433 3.695 1.00 0.00 N ATOM 1314 CA ILE A 86 166.158 1.387 3.718 1.00 0.00 C ATOM 1315 C ILE A 86 165.633 1.151 5.122 1.00 0.00 C ATOM 1316 O ILE A 86 165.723 0.041 5.636 1.00 0.00 O ATOM 1317 CB ILE A 86 165.596 0.274 2.818 1.00 0.00 C ATOM 1318 CG1 ILE A 86 166.284 0.284 1.462 1.00 0.00 C ATOM 1319 CG2 ILE A 86 164.088 0.426 2.661 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.927 1.469 0.605 1.00 0.00 C ATOM 0 H ILE A 86 168.073 0.805 4.360 1.00 0.00 H new ATOM 0 HA ILE A 86 165.828 2.357 3.347 1.00 0.00 H new ATOM 0 HB ILE A 86 165.795 -0.687 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.363 0.270 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 86 166.025 -0.630 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.707 -0.370 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.612 0.364 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.865 1.393 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 86 166.457 1.404 -0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.853 1.475 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 86 166.212 2.388 1.118 1.00 0.00 H new ATOM 1332 N LYS A 87 165.073 2.191 5.727 1.00 0.00 N ATOM 1333 CA LYS A 87 164.517 2.081 7.071 1.00 0.00 C ATOM 1334 C LYS A 87 163.000 1.916 7.013 1.00 0.00 C ATOM 1335 O LYS A 87 162.263 2.574 7.747 1.00 0.00 O ATOM 1336 CB LYS A 87 164.890 3.305 7.912 1.00 0.00 C ATOM 1337 CG LYS A 87 164.267 4.601 7.424 1.00 0.00 C ATOM 1338 CD LYS A 87 164.415 5.711 8.453 1.00 0.00 C ATOM 1339 CE LYS A 87 163.383 5.586 9.562 1.00 0.00 C ATOM 1340 NZ LYS A 87 163.795 6.320 10.789 1.00 0.00 N ATOM 0 H LYS A 87 164.992 3.118 5.310 1.00 0.00 H new ATOM 0 HA LYS A 87 164.942 1.196 7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 87 164.583 3.132 8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 87 165.975 3.414 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 87 164.739 4.904 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 87 163.210 4.440 7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 87 165.417 5.679 8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 87 164.308 6.679 7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 87 162.426 5.972 9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 87 163.234 4.533 9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 163.065 6.210 11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 164.696 5.935 11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 163.913 7.329 10.567 1.00 0.00 H new ATOM 1354 N ASP A 88 162.546 1.022 6.133 1.00 0.00 N ATOM 1355 CA ASP A 88 161.119 0.747 5.960 1.00 0.00 C ATOM 1356 C ASP A 88 160.452 1.793 5.069 1.00 0.00 C ATOM 1357 O ASP A 88 159.758 2.686 5.555 1.00 0.00 O ATOM 1358 CB ASP A 88 160.406 0.685 7.316 1.00 0.00 C ATOM 1359 CG ASP A 88 159.135 -0.139 7.264 1.00 0.00 C ATOM 1360 OD1 ASP A 88 158.564 -0.281 6.163 1.00 0.00 O ATOM 1361 OD2 ASP A 88 158.710 -0.642 8.327 1.00 0.00 O ATOM 0 H ASP A 88 163.152 0.472 5.524 1.00 0.00 H new ATOM 0 HA ASP A 88 161.033 -0.223 5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 88 161.081 0.260 8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 88 160.167 1.697 7.644 1.00 0.00 H new ATOM 1366 N GLY A 89 160.661 1.665 3.761 1.00 0.00 N ATOM 1367 CA GLY A 89 160.067 2.595 2.815 1.00 0.00 C ATOM 1368 C GLY A 89 160.658 3.991 2.895 1.00 0.00 C ATOM 1369 O GLY A 89 160.031 4.959 2.467 1.00 0.00 O ATOM 0 H GLY A 89 161.232 0.933 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.200 2.209 1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 89 158.994 2.651 2.996 1.00 0.00 H new ATOM 1373 N LEU A 90 161.866 4.096 3.438 1.00 0.00 N ATOM 1374 CA LEU A 90 162.537 5.387 3.566 1.00 0.00 C ATOM 1375 C LEU A 90 164.034 5.221 3.389 1.00 0.00 C ATOM 1376 O LEU A 90 164.789 5.158 4.357 1.00 0.00 O ATOM 1377 CB LEU A 90 162.233 6.012 4.924 1.00 0.00 C ATOM 1378 CG LEU A 90 160.806 5.789 5.408 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.683 6.106 6.891 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.840 6.630 4.590 1.00 0.00 C ATOM 0 H LEU A 90 162.401 3.305 3.796 1.00 0.00 H new ATOM 0 HA LEU A 90 162.164 6.051 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 90 162.923 5.604 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 90 162.423 7.084 4.869 1.00 0.00 H new ATOM 0 HG LEU A 90 160.551 4.738 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.656 5.940 7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 90 161.351 5.458 7.458 1.00 0.00 H new ATOM 0 HD13 LEU A 90 160.954 7.148 7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.823 6.463 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 90 160.094 7.684 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.910 6.346 3.540 1.00 0.00 H new ATOM 1392 N GLY A 91 164.447 5.118 2.139 1.00 0.00 N ATOM 1393 CA GLY A 91 165.839 4.924 1.837 1.00 0.00 C ATOM 1394 C GLY A 91 166.664 6.195 1.839 1.00 0.00 C ATOM 1395 O GLY A 91 166.140 7.303 1.735 1.00 0.00 O ATOM 0 H GLY A 91 163.835 5.166 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 91 166.262 4.230 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.923 4.452 0.858 1.00 0.00 H new ATOM 1399 N TYR A 92 167.973 6.004 1.943 1.00 0.00 N ATOM 1400 CA TYR A 92 168.945 7.090 1.946 1.00 0.00 C ATOM 1401 C TYR A 92 170.200 6.619 1.229 1.00 0.00 C ATOM 1402 O TYR A 92 170.662 5.502 1.460 1.00 0.00 O ATOM 1403 CB TYR A 92 169.280 7.505 3.376 1.00 0.00 C ATOM 1404 CG TYR A 92 168.062 7.778 4.228 1.00 0.00 C ATOM 1405 CD1 TYR A 92 167.382 8.986 4.135 1.00 0.00 C ATOM 1406 CD2 TYR A 92 167.591 6.827 5.124 1.00 0.00 C ATOM 1407 CE1 TYR A 92 166.266 9.239 4.910 1.00 0.00 C ATOM 1408 CE2 TYR A 92 166.474 7.073 5.903 1.00 0.00 C ATOM 1409 CZ TYR A 92 165.817 8.280 5.792 1.00 0.00 C ATOM 1410 OH TYR A 92 164.706 8.527 6.566 1.00 0.00 O ATOM 0 H TYR A 92 168.395 5.079 2.029 1.00 0.00 H new ATOM 0 HA TYR A 92 168.527 7.956 1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 92 169.872 6.719 3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 92 169.902 8.399 3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 92 167.731 9.740 3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 92 168.104 5.881 5.214 1.00 0.00 H new ATOM 0 HE1 TYR A 92 165.749 10.183 4.825 1.00 0.00 H new ATOM 0 HE2 TYR A 92 166.119 6.323 6.594 1.00 0.00 H new ATOM 0 HH TYR A 92 163.963 7.967 6.260 1.00 0.00 H new ATOM 1420 N ARG A 93 170.745 7.443 0.343 1.00 0.00 N ATOM 1421 CA ARG A 93 171.930 7.048 -0.397 1.00 0.00 C ATOM 1422 C ARG A 93 173.075 8.022 -0.233 1.00 0.00 C ATOM 1423 O ARG A 93 172.888 9.239 -0.247 1.00 0.00 O ATOM 1424 CB ARG A 93 171.619 6.898 -1.881 1.00 0.00 C ATOM 1425 CG ARG A 93 171.094 8.170 -2.529 1.00 0.00 C ATOM 1426 CD ARG A 93 169.912 7.884 -3.441 1.00 0.00 C ATOM 1427 NE ARG A 93 169.572 9.032 -4.274 1.00 0.00 N ATOM 1428 CZ ARG A 93 168.699 8.990 -5.277 1.00 0.00 C ATOM 1429 NH1 ARG A 93 168.077 7.855 -5.576 1.00 0.00 N ATOM 1430 NH2 ARG A 93 168.447 10.083 -5.984 1.00 0.00 N ATOM 0 H ARG A 93 170.390 8.374 0.124 1.00 0.00 H new ATOM 0 HA ARG A 93 172.238 6.089 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.523 6.582 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.883 6.105 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 93 170.795 8.877 -1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.891 8.643 -3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 93 170.144 7.030 -4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 93 169.048 7.606 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 93 170.031 9.921 -4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 93 168.268 7.011 -5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 93 167.408 7.827 -6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 93 168.923 10.957 -5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 93 167.778 10.050 -6.753 1.00 0.00 H new ATOM 1444 N GLN A 94 174.268 7.466 -0.114 1.00 0.00 N ATOM 1445 CA GLN A 94 175.470 8.266 0.011 1.00 0.00 C ATOM 1446 C GLN A 94 176.165 8.317 -1.333 1.00 0.00 C ATOM 1447 O GLN A 94 177.181 7.658 -1.543 1.00 0.00 O ATOM 1448 CB GLN A 94 176.411 7.694 1.070 1.00 0.00 C ATOM 1449 CG GLN A 94 177.437 8.701 1.563 1.00 0.00 C ATOM 1450 CD GLN A 94 178.761 8.056 1.927 1.00 0.00 C ATOM 1451 OE1 GLN A 94 179.269 8.239 3.034 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.326 7.298 0.996 1.00 0.00 N ATOM 0 H GLN A 94 174.429 6.459 -0.101 1.00 0.00 H new ATOM 0 HA GLN A 94 175.193 9.272 0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.823 7.340 1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.929 6.829 0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.603 9.452 0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 94 177.040 9.222 2.434 1.00 0.00 H new ATOM 0 HE21 GLN A 94 178.869 7.174 0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 94 180.217 6.839 1.184 1.00 0.00 H new ATOM 1461 N ASP A 95 175.580 9.078 -2.251 1.00 0.00 N ATOM 1462 CA ASP A 95 176.119 9.204 -3.597 1.00 0.00 C ATOM 1463 C ASP A 95 177.254 10.211 -3.655 1.00 0.00 C ATOM 1464 O ASP A 95 177.544 10.901 -2.676 1.00 0.00 O ATOM 1465 CB ASP A 95 175.019 9.613 -4.572 1.00 0.00 C ATOM 1466 CG ASP A 95 174.319 10.889 -4.154 1.00 0.00 C ATOM 1467 OD1 ASP A 95 173.462 10.828 -3.247 1.00 0.00 O ATOM 1468 OD2 ASP A 95 174.626 11.952 -4.733 1.00 0.00 O ATOM 0 H ASP A 95 174.730 9.618 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 95 176.516 8.230 -3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.449 9.747 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.287 8.809 -4.647 1.00 0.00 H new ATOM 1473 N ASN A 96 177.892 10.285 -4.815 1.00 0.00 N ATOM 1474 CA ASN A 96 179.001 11.201 -5.022 1.00 0.00 C ATOM 1475 C ASN A 96 180.132 10.906 -4.042 1.00 0.00 C ATOM 1476 O ASN A 96 180.990 11.755 -3.792 1.00 0.00 O ATOM 1477 CB ASN A 96 178.521 12.643 -4.861 1.00 0.00 C ATOM 1478 CG ASN A 96 179.623 13.658 -5.101 1.00 0.00 C ATOM 1479 OD1 ASN A 96 180.145 14.257 -4.162 1.00 0.00 O ATOM 1480 ND2 ASN A 96 179.981 13.854 -6.365 1.00 0.00 N ATOM 0 H ASN A 96 177.658 9.718 -5.630 1.00 0.00 H new ATOM 0 HA ASN A 96 179.383 11.065 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.703 12.829 -5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.121 12.778 -3.856 1.00 0.00 H new ATOM 0 HD21 ASN A 96 180.717 14.524 -6.589 1.00 0.00 H new ATOM 0 HD22 ASN A 96 179.520 13.334 -7.112 1.00 0.00 H new ATOM 1487 N GLY A 97 180.139 9.693 -3.493 1.00 0.00 N ATOM 1488 CA GLY A 97 181.178 9.318 -2.558 1.00 0.00 C ATOM 1489 C GLY A 97 182.444 8.891 -3.259 1.00 0.00 C ATOM 1490 O GLY A 97 182.430 8.586 -4.452 1.00 0.00 O ATOM 0 H GLY A 97 179.446 8.969 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.394 10.160 -1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.821 8.504 -1.927 1.00 0.00 H new ATOM 1494 N GLU A 98 183.542 8.872 -2.523 1.00 0.00 N ATOM 1495 CA GLU A 98 184.824 8.482 -3.089 1.00 0.00 C ATOM 1496 C GLU A 98 185.761 7.937 -2.014 1.00 0.00 C ATOM 1497 O GLU A 98 185.743 8.393 -0.871 1.00 0.00 O ATOM 1498 CB GLU A 98 185.473 9.678 -3.793 1.00 0.00 C ATOM 1499 CG GLU A 98 186.818 9.361 -4.429 1.00 0.00 C ATOM 1500 CD GLU A 98 187.915 10.304 -3.978 1.00 0.00 C ATOM 1501 OE1 GLU A 98 188.370 10.178 -2.822 1.00 0.00 O ATOM 1502 OE2 GLU A 98 188.322 11.169 -4.781 1.00 0.00 O ATOM 0 H GLU A 98 183.573 9.121 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 98 184.645 7.689 -3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 98 184.795 10.046 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 98 185.604 10.485 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 98 187.100 8.338 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.724 9.412 -5.514 1.00 0.00 H new ATOM 1509 N TRP A 99 186.582 6.966 -2.396 1.00 0.00 N ATOM 1510 CA TRP A 99 187.536 6.362 -1.475 1.00 0.00 C ATOM 1511 C TRP A 99 188.866 6.104 -2.189 1.00 0.00 C ATOM 1512 O TRP A 99 188.937 6.153 -3.416 1.00 0.00 O ATOM 1513 CB TRP A 99 186.966 5.068 -0.891 1.00 0.00 C ATOM 1514 CG TRP A 99 187.928 4.331 -0.014 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.459 4.756 1.170 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.472 3.035 -0.258 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.314 3.803 1.669 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.336 2.735 0.810 1.00 0.00 C ATOM 1519 CE3 TRP A 99 188.312 2.101 -1.278 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 190.038 1.537 0.880 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 189.005 0.911 -1.209 1.00 0.00 C ATOM 1522 CH2 TRP A 99 189.860 0.639 -0.138 1.00 0.00 C ATOM 0 H TRP A 99 186.606 6.580 -3.340 1.00 0.00 H new ATOM 0 HA TRP A 99 187.719 7.052 -0.651 1.00 0.00 H new ATOM 0 HB2 TRP A 99 186.070 5.303 -0.316 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.659 4.415 -1.708 1.00 0.00 H new ATOM 0 HD1 TRP A 99 188.240 5.701 1.644 1.00 0.00 H new ATOM 0 HE1 TRP A 99 189.845 3.878 2.536 1.00 0.00 H new ATOM 0 HE3 TRP A 99 187.655 2.305 -2.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.699 1.323 1.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 188.885 0.179 -1.994 1.00 0.00 H new ATOM 0 HH2 TRP A 99 190.392 -0.300 -0.113 1.00 0.00 H new ATOM 1533 N THR A 100 189.920 5.862 -1.416 1.00 0.00 N ATOM 1534 CA THR A 100 191.249 5.636 -1.980 1.00 0.00 C ATOM 1535 C THR A 100 191.662 4.167 -1.939 1.00 0.00 C ATOM 1536 O THR A 100 191.167 3.387 -1.125 1.00 0.00 O ATOM 1537 CB THR A 100 192.280 6.456 -1.200 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.501 6.536 -1.909 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.581 5.887 0.179 1.00 0.00 C ATOM 0 H THR A 100 189.881 5.817 -0.398 1.00 0.00 H new ATOM 0 HA THR A 100 191.210 5.944 -3.025 1.00 0.00 H new ATOM 0 HB THR A 100 191.832 7.442 -1.079 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.214 6.120 -1.381 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.319 6.515 0.679 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.666 5.862 0.770 1.00 0.00 H new ATOM 0 HG23 THR A 100 192.975 4.876 0.077 1.00 0.00 H new ATOM 1547 N VAL A 101 192.607 3.816 -2.807 1.00 0.00 N ATOM 1548 CA VAL A 101 193.139 2.458 -2.866 1.00 0.00 C ATOM 1549 C VAL A 101 194.652 2.456 -2.622 1.00 0.00 C ATOM 1550 O VAL A 101 195.277 1.399 -2.560 1.00 0.00 O ATOM 1551 CB VAL A 101 192.857 1.781 -4.224 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.065 0.279 -4.117 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.445 2.093 -4.705 1.00 0.00 C ATOM 0 H VAL A 101 193.022 4.458 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 101 192.633 1.894 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 101 193.558 2.179 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 101 192.863 -0.186 -5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.095 0.074 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.387 -0.130 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.271 1.605 -5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 101 190.723 1.727 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.330 3.171 -4.821 1.00 0.00 H new ATOM 1563 N THR A 102 195.235 3.647 -2.485 1.00 0.00 N ATOM 1564 CA THR A 102 196.670 3.780 -2.255 1.00 0.00 C ATOM 1565 C THR A 102 197.098 3.136 -0.938 1.00 0.00 C ATOM 1566 O THR A 102 198.288 2.923 -0.704 1.00 0.00 O ATOM 1567 CB THR A 102 197.071 5.256 -2.266 1.00 0.00 C ATOM 1568 OG1 THR A 102 195.970 6.077 -1.919 1.00 0.00 O ATOM 1569 CG2 THR A 102 197.589 5.724 -3.609 1.00 0.00 C ATOM 0 H THR A 102 194.733 4.534 -2.530 1.00 0.00 H new ATOM 0 HA THR A 102 197.181 3.256 -3.063 1.00 0.00 H new ATOM 0 HB THR A 102 197.874 5.344 -1.534 1.00 0.00 H new ATOM 0 HG1 THR A 102 196.247 7.017 -1.930 1.00 0.00 H new ATOM 0 HG21 THR A 102 197.856 6.779 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 102 198.469 5.142 -3.882 1.00 0.00 H new ATOM 0 HG23 THR A 102 196.815 5.588 -4.365 1.00 0.00 H new ATOM 1577 N GLU A 103 196.132 2.830 -0.079 1.00 0.00 N ATOM 1578 CA GLU A 103 196.431 2.215 1.211 1.00 0.00 C ATOM 1579 C GLU A 103 195.646 0.922 1.390 1.00 0.00 C ATOM 1580 O GLU A 103 194.536 0.785 0.875 1.00 0.00 O ATOM 1581 CB GLU A 103 196.111 3.184 2.350 1.00 0.00 C ATOM 1582 CG GLU A 103 197.121 3.147 3.484 1.00 0.00 C ATOM 1583 CD GLU A 103 197.026 4.359 4.391 1.00 0.00 C ATOM 1584 OE1 GLU A 103 195.908 4.889 4.557 1.00 0.00 O ATOM 1585 OE2 GLU A 103 198.070 4.779 4.932 1.00 0.00 O ATOM 0 H GLU A 103 195.140 2.996 -0.250 1.00 0.00 H new ATOM 0 HA GLU A 103 197.495 1.979 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 103 196.063 4.197 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 103 195.123 2.951 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 103 196.966 2.244 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 103 198.127 3.087 3.068 1.00 0.00 H new ATOM 1592 N PHE A 104 196.223 -0.024 2.125 1.00 0.00 N ATOM 1593 CA PHE A 104 195.568 -1.299 2.368 1.00 0.00 C ATOM 1594 C PHE A 104 195.674 -1.674 3.839 1.00 0.00 C ATOM 1595 O PHE A 104 196.668 -1.370 4.494 1.00 0.00 O ATOM 1596 CB PHE A 104 196.201 -2.399 1.511 1.00 0.00 C ATOM 1597 CG PHE A 104 196.041 -2.190 0.030 1.00 0.00 C ATOM 1598 CD1 PHE A 104 196.673 -1.135 -0.608 1.00 0.00 C ATOM 1599 CD2 PHE A 104 195.266 -3.057 -0.725 1.00 0.00 C ATOM 1600 CE1 PHE A 104 196.532 -0.947 -1.971 1.00 0.00 C ATOM 1601 CE2 PHE A 104 195.124 -2.875 -2.088 1.00 0.00 C ATOM 1602 CZ PHE A 104 195.757 -1.819 -2.712 1.00 0.00 C ATOM 0 H PHE A 104 197.141 0.071 2.560 1.00 0.00 H new ATOM 0 HA PHE A 104 194.517 -1.200 2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 104 197.264 -2.462 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 104 195.757 -3.357 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 104 197.282 -0.452 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 104 194.767 -3.885 -0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 104 197.027 -0.119 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 104 194.518 -3.559 -2.664 1.00 0.00 H new ATOM 0 HZ PHE A 104 195.647 -1.675 -3.777 1.00 0.00 H new ATOM 1612 N VAL A 105 194.650 -2.341 4.354 1.00 0.00 N ATOM 1613 CA VAL A 105 194.651 -2.760 5.745 1.00 0.00 C ATOM 1614 C VAL A 105 194.966 -4.246 5.860 1.00 0.00 C ATOM 1615 O VAL A 105 194.933 -4.981 4.873 1.00 0.00 O ATOM 1616 CB VAL A 105 193.312 -2.451 6.450 1.00 0.00 C ATOM 1617 CG1 VAL A 105 192.957 -0.980 6.293 1.00 0.00 C ATOM 1618 CG2 VAL A 105 192.194 -3.336 5.913 1.00 0.00 C ATOM 0 H VAL A 105 193.814 -2.601 3.831 1.00 0.00 H new ATOM 0 HA VAL A 105 195.430 -2.186 6.247 1.00 0.00 H new ATOM 0 HB VAL A 105 193.429 -2.668 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 105 192.011 -0.778 6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 105 193.741 -0.367 6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 105 192.864 -0.739 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 105 191.263 -3.098 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 105 192.074 -3.162 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.445 -4.383 6.084 1.00 0.00 H new