USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 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 Single : A 1 GLU N :NH3+ 177:sc= -0.992! (180deg=-1.19!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 4 ASN : amide:sc= 0.0678 K(o=0.068,f=-5.9!) USER MOD Single : A 9 THR OG1 : rot 0:sc= -0.414! USER MOD Single : A 10 TYR OH : rot -100:sc= 1.37 USER MOD Single : A 11 HIS : no HD1:sc= -4.45! C(o=-4.5!,f=-2.2!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.22) USER MOD Single : A 18 ASN : amide:sc= -0.626 X(o=-0.63,f=-0.83!) USER MOD Single : A 19 ASN : amide:sc= 0.278 K(o=0.28,f=-4.4!) USER MOD Single : A 28 SER OG : rot -99:sc= 1.02 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -101:sc= 0.596 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0896 USER MOD Single : A 44 SER OG : rot 180:sc= -0.129 USER MOD Single : A 45 LYS NZ :NH3+ -143:sc= -1.94! (180deg=-3.06!) USER MOD Single : A 46 TYR OH : rot -162:sc= 1.24 USER MOD Single : A 49 THR OG1 : rot 29:sc= -0.184 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 145:sc= 0.796 (180deg=0.168) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.492 K(o=-0.49,f=-5.8!) USER MOD Single : A 74 THR OG1 : rot 143:sc= 0.22 USER MOD Single : A 77 GLN : amide:sc= -0.409 X(o=-0.41,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.34 K(o=-1.3,f=-7.1!) USER MOD Single : A 88 ASN : amide:sc= -2.63! C(o=-2.6!,f=-5.4!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.62 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 101 LYS NZ :NH3+ -157:sc= -0.0326 (180deg=-0.507) USER MOD Single : A 104 THR OG1 : rot 160:sc= -0.392 USER MOD Single : A 105 ASN : amide:sc= 0.0709 K(o=0.071,f=-7.5!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -3.04! C(o=-3!,f=-7!) USER MOD Single : A 115 ASN : amide:sc= -4.04! K(o=-4!,f=0.17) USER MOD Single : A 117 ASN : amide:sc= -4.97! C(o=-5!,f=-13!) USER MOD Single : A 118 TYR OH : rot 180:sc= -2.75 USER MOD Single : A 119 GLN : amide:sc= -4.21! C(o=-4.2!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.203 15.244 -1.160 1.00 0.00 N ATOM 2 CA GLU A 1 3.283 15.251 -2.674 1.00 0.00 C ATOM 3 C GLU A 1 4.562 14.535 -3.220 1.00 0.00 C ATOM 4 O GLU A 1 4.443 13.643 -4.041 1.00 0.00 O ATOM 5 CB GLU A 1 3.226 16.749 -3.167 1.00 0.00 C ATOM 6 CG GLU A 1 2.446 16.878 -4.566 1.00 0.00 C ATOM 7 CD GLU A 1 0.943 16.453 -4.492 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.507 16.279 -3.370 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.273 16.302 -5.511 1.00 0.00 O ATOM 0 H1 GLU A 1 2.363 15.775 -0.854 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.135 14.263 -0.820 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.056 15.689 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 1 2.437 14.686 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.730 17.362 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.239 17.136 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.505 17.910 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.951 16.264 -5.311 1.00 0.00 H new ATOM 18 N GLN A 2 5.745 14.914 -2.776 1.00 0.00 N ATOM 19 CA GLN A 2 7.022 14.254 -3.261 1.00 0.00 C ATOM 20 C GLN A 2 7.885 13.698 -2.096 1.00 0.00 C ATOM 21 O GLN A 2 8.302 14.452 -1.232 1.00 0.00 O ATOM 22 CB GLN A 2 7.882 15.275 -4.053 1.00 0.00 C ATOM 23 CG GLN A 2 7.151 15.737 -5.337 1.00 0.00 C ATOM 24 CD GLN A 2 8.041 16.657 -6.167 1.00 0.00 C ATOM 25 OE1 GLN A 2 9.171 16.373 -6.497 1.00 0.00 O ATOM 26 NE2 GLN A 2 7.563 17.796 -6.538 1.00 0.00 N ATOM 0 H GLN A 2 5.887 15.658 -2.093 1.00 0.00 H new ATOM 0 HA GLN A 2 6.718 13.421 -3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.100 16.138 -3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.838 14.823 -4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.865 14.868 -5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.231 16.258 -5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.614 18.061 -6.274 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.134 18.432 -7.095 1.00 0.00 H new ATOM 35 N ALA A 3 8.126 12.410 -2.122 1.00 0.00 N ATOM 36 CA ALA A 3 8.944 11.757 -1.059 1.00 0.00 C ATOM 37 C ALA A 3 10.021 10.855 -1.686 1.00 0.00 C ATOM 38 O ALA A 3 9.788 10.182 -2.676 1.00 0.00 O ATOM 39 CB ALA A 3 7.993 10.955 -0.202 1.00 0.00 C ATOM 0 H ALA A 3 7.785 11.777 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 3 9.466 12.499 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.550 10.458 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.250 11.620 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.492 10.207 -0.817 1.00 0.00 H new ATOM 45 N ASN A 4 11.169 10.874 -1.076 1.00 0.00 N ATOM 46 CA ASN A 4 12.317 10.059 -1.548 1.00 0.00 C ATOM 47 C ASN A 4 12.847 9.167 -0.427 1.00 0.00 C ATOM 48 O ASN A 4 12.449 9.300 0.709 1.00 0.00 O ATOM 49 CB ASN A 4 13.375 11.059 -2.071 1.00 0.00 C ATOM 50 CG ASN A 4 13.634 12.217 -1.099 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.983 12.451 -0.102 1.00 0.00 O ATOM 52 ND2 ASN A 4 14.607 13.027 -1.346 1.00 0.00 N ATOM 0 H ASN A 4 11.364 11.436 -0.247 1.00 0.00 H new ATOM 0 HA ASN A 4 12.029 9.375 -2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.310 10.529 -2.254 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.045 11.462 -3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.791 13.810 -0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 4 15.192 12.885 -2.169 1.00 0.00 H new ATOM 59 N ASP A 5 13.735 8.287 -0.792 1.00 0.00 N ATOM 60 CA ASP A 5 14.378 7.313 0.161 1.00 0.00 C ATOM 61 C ASP A 5 13.373 6.805 1.250 1.00 0.00 C ATOM 62 O ASP A 5 13.570 6.931 2.445 1.00 0.00 O ATOM 63 CB ASP A 5 15.606 8.065 0.771 1.00 0.00 C ATOM 64 CG ASP A 5 16.625 7.059 1.271 1.00 0.00 C ATOM 65 OD1 ASP A 5 17.384 6.701 0.395 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.617 6.683 2.428 1.00 0.00 O ATOM 0 H ASP A 5 14.061 8.192 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 5 14.698 6.405 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.058 8.712 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.282 8.706 1.590 1.00 0.00 H new ATOM 71 N VAL A 6 12.300 6.224 0.772 1.00 0.00 N ATOM 72 CA VAL A 6 11.255 5.701 1.713 1.00 0.00 C ATOM 73 C VAL A 6 11.154 4.164 1.714 1.00 0.00 C ATOM 74 O VAL A 6 10.683 3.552 0.771 1.00 0.00 O ATOM 75 CB VAL A 6 9.858 6.278 1.345 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.871 5.894 2.477 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.874 7.816 1.186 1.00 0.00 C ATOM 0 H VAL A 6 12.101 6.089 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 6 11.563 6.022 2.708 1.00 0.00 H new ATOM 0 HB VAL A 6 9.556 5.860 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.881 6.287 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.820 4.809 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.217 6.317 3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.874 8.166 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.190 8.275 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.570 8.093 0.394 1.00 0.00 H new ATOM 87 N ARG A 7 11.614 3.572 2.785 1.00 0.00 N ATOM 88 CA ARG A 7 11.571 2.079 2.928 1.00 0.00 C ATOM 89 C ARG A 7 10.170 1.508 2.561 1.00 0.00 C ATOM 90 O ARG A 7 9.192 1.677 3.272 1.00 0.00 O ATOM 91 CB ARG A 7 11.948 1.733 4.387 1.00 0.00 C ATOM 92 CG ARG A 7 13.333 2.373 4.730 1.00 0.00 C ATOM 93 CD ARG A 7 14.021 1.600 5.875 1.00 0.00 C ATOM 94 NE ARG A 7 13.057 1.462 7.022 1.00 0.00 N ATOM 95 CZ ARG A 7 13.403 0.901 8.119 1.00 0.00 C ATOM 96 NH1 ARG A 7 13.690 -0.336 8.088 1.00 0.00 N ATOM 97 NH2 ARG A 7 13.440 1.609 9.172 1.00 0.00 N ATOM 0 H ARG A 7 12.024 4.063 3.579 1.00 0.00 H new ATOM 0 HA ARG A 7 12.279 1.622 2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.184 2.105 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.992 0.652 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.971 2.368 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.196 3.415 5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.337 0.616 5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.918 2.127 6.199 1.00 0.00 H new ATOM 0 HE ARG A 7 12.108 1.823 6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.641 -0.849 7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.970 -0.816 8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.197 2.599 9.130 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.712 1.188 10.060 1.00 0.00 H new ATOM 111 N ALA A 8 10.130 0.855 1.435 1.00 0.00 N ATOM 112 CA ALA A 8 8.841 0.264 0.980 1.00 0.00 C ATOM 113 C ALA A 8 8.967 -1.221 1.282 1.00 0.00 C ATOM 114 O ALA A 8 9.986 -1.838 1.013 1.00 0.00 O ATOM 115 CB ALA A 8 8.663 0.529 -0.529 1.00 0.00 C ATOM 0 H ALA A 8 10.925 0.705 0.814 1.00 0.00 H new ATOM 0 HA ALA A 8 7.969 0.691 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.720 0.098 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.656 1.604 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.487 0.073 -1.078 1.00 0.00 H new ATOM 121 N THR A 9 7.889 -1.703 1.839 1.00 0.00 N ATOM 122 CA THR A 9 7.764 -3.143 2.248 1.00 0.00 C ATOM 123 C THR A 9 6.769 -3.833 1.333 1.00 0.00 C ATOM 124 O THR A 9 5.749 -3.236 1.022 1.00 0.00 O ATOM 125 CB THR A 9 7.226 -3.259 3.704 1.00 0.00 C ATOM 126 OG1 THR A 9 5.876 -2.846 3.647 1.00 0.00 O ATOM 127 CG2 THR A 9 7.669 -2.141 4.634 1.00 0.00 C ATOM 0 H THR A 9 7.059 -1.143 2.036 1.00 0.00 H new ATOM 0 HA THR A 9 8.750 -3.604 2.183 1.00 0.00 H new ATOM 0 HB THR A 9 7.514 -4.257 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.646 -2.604 2.725 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.247 -2.304 5.626 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.757 -2.132 4.700 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.321 -1.184 4.244 1.00 0.00 H new ATOM 135 N TYR A 10 7.061 -5.045 0.954 1.00 0.00 N ATOM 136 CA TYR A 10 6.104 -5.757 0.050 1.00 0.00 C ATOM 137 C TYR A 10 5.448 -6.918 0.831 1.00 0.00 C ATOM 138 O TYR A 10 5.919 -7.352 1.865 1.00 0.00 O ATOM 139 CB TYR A 10 6.892 -6.276 -1.203 1.00 0.00 C ATOM 140 CG TYR A 10 7.528 -7.655 -0.957 1.00 0.00 C ATOM 141 CD1 TYR A 10 8.654 -7.814 -0.172 1.00 0.00 C ATOM 142 CD2 TYR A 10 6.948 -8.771 -1.526 1.00 0.00 C ATOM 143 CE1 TYR A 10 9.185 -9.071 0.042 1.00 0.00 C ATOM 144 CE2 TYR A 10 7.485 -10.024 -1.308 1.00 0.00 C ATOM 145 CZ TYR A 10 8.605 -10.176 -0.521 1.00 0.00 C ATOM 146 OH TYR A 10 9.150 -11.414 -0.271 1.00 0.00 O ATOM 0 H TYR A 10 7.897 -5.566 1.220 1.00 0.00 H new ATOM 0 HA TYR A 10 5.314 -5.089 -0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.216 -6.336 -2.056 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.671 -5.559 -1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.122 -6.950 0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.070 -8.663 -2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.065 -9.183 0.658 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.024 -10.891 -1.758 1.00 0.00 H new ATOM 0 HH TYR A 10 9.708 -11.685 -1.029 1.00 0.00 H new ATOM 156 N HIS A 11 4.358 -7.391 0.301 1.00 0.00 N ATOM 157 CA HIS A 11 3.601 -8.515 0.931 1.00 0.00 C ATOM 158 C HIS A 11 2.883 -9.398 -0.121 1.00 0.00 C ATOM 159 O HIS A 11 3.147 -9.276 -1.302 1.00 0.00 O ATOM 160 CB HIS A 11 2.611 -7.889 1.935 1.00 0.00 C ATOM 161 CG HIS A 11 2.197 -9.034 2.829 1.00 0.00 C ATOM 162 ND1 HIS A 11 3.019 -9.681 3.576 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.979 -9.637 3.036 1.00 0.00 C ATOM 164 CE1 HIS A 11 2.382 -10.616 4.204 1.00 0.00 C ATOM 165 NE2 HIS A 11 1.111 -10.621 3.894 1.00 0.00 N ATOM 0 H HIS A 11 3.947 -7.039 -0.564 1.00 0.00 H new ATOM 0 HA HIS A 11 4.286 -9.188 1.446 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.080 -7.089 2.508 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.752 -7.454 1.425 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.053 -9.345 2.564 1.00 0.00 H new ATOM 0 HE1 HIS A 11 2.842 -11.305 4.897 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.386 -11.249 4.241 1.00 0.00 H new ATOM 173 N TYR A 12 1.998 -10.269 0.306 1.00 0.00 N ATOM 174 CA TYR A 12 1.249 -11.182 -0.644 1.00 0.00 C ATOM 175 C TYR A 12 -0.284 -11.296 -0.392 1.00 0.00 C ATOM 176 O TYR A 12 -0.744 -12.184 0.303 1.00 0.00 O ATOM 177 CB TYR A 12 1.932 -12.618 -0.574 1.00 0.00 C ATOM 178 CG TYR A 12 3.096 -12.555 0.418 1.00 0.00 C ATOM 179 CD1 TYR A 12 4.302 -11.997 0.042 1.00 0.00 C ATOM 180 CD2 TYR A 12 2.931 -13.016 1.702 1.00 0.00 C ATOM 181 CE1 TYR A 12 5.334 -11.898 0.951 1.00 0.00 C ATOM 182 CE2 TYR A 12 3.965 -12.914 2.602 1.00 0.00 C ATOM 183 CZ TYR A 12 5.159 -12.356 2.233 1.00 0.00 C ATOM 184 OH TYR A 12 6.159 -12.260 3.169 1.00 0.00 O ATOM 0 H TYR A 12 1.753 -10.394 1.288 1.00 0.00 H new ATOM 0 HA TYR A 12 1.322 -10.737 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.206 -13.368 -0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.290 -12.915 -1.560 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.437 -11.637 -0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.992 -13.457 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.277 -11.462 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.834 -13.278 3.610 1.00 0.00 H new ATOM 0 HH TYR A 12 5.849 -12.636 4.019 1.00 0.00 H new ATOM 194 N TYR A 13 -1.046 -10.395 -0.959 1.00 0.00 N ATOM 195 CA TYR A 13 -2.543 -10.452 -0.759 1.00 0.00 C ATOM 196 C TYR A 13 -3.223 -11.199 -1.955 1.00 0.00 C ATOM 197 O TYR A 13 -4.428 -11.277 -2.082 1.00 0.00 O ATOM 198 CB TYR A 13 -3.050 -8.983 -0.626 1.00 0.00 C ATOM 199 CG TYR A 13 -3.737 -8.752 0.751 1.00 0.00 C ATOM 200 CD1 TYR A 13 -2.986 -8.680 1.914 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.114 -8.609 0.854 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.598 -8.469 3.142 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.721 -8.399 2.087 1.00 0.00 C ATOM 204 CZ TYR A 13 -4.964 -8.328 3.240 1.00 0.00 C ATOM 205 OH TYR A 13 -5.531 -8.128 4.485 1.00 0.00 O ATOM 0 H TYR A 13 -0.711 -9.630 -1.545 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.800 -11.010 0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.213 -8.294 -0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.754 -8.763 -1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.913 -8.789 1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.723 -8.662 -0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.993 -8.415 4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.794 -8.290 2.144 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.503 -8.046 4.392 1.00 0.00 H new ATOM 215 N ARG A 14 -2.385 -11.759 -2.787 1.00 0.00 N ATOM 216 CA ARG A 14 -2.808 -12.530 -4.001 1.00 0.00 C ATOM 217 C ARG A 14 -3.974 -11.872 -4.818 1.00 0.00 C ATOM 218 O ARG A 14 -4.969 -12.541 -5.056 1.00 0.00 O ATOM 219 CB ARG A 14 -3.196 -13.976 -3.477 1.00 0.00 C ATOM 220 CG ARG A 14 -2.077 -14.569 -2.554 1.00 0.00 C ATOM 221 CD ARG A 14 -2.449 -15.957 -1.971 1.00 0.00 C ATOM 222 NE ARG A 14 -3.700 -15.821 -1.144 1.00 0.00 N ATOM 223 CZ ARG A 14 -3.683 -15.966 0.132 1.00 0.00 C ATOM 224 NH1 ARG A 14 -3.476 -14.953 0.866 1.00 0.00 N ATOM 225 NH2 ARG A 14 -3.875 -17.125 0.607 1.00 0.00 N ATOM 0 H ARG A 14 -1.373 -11.711 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.989 -12.556 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.135 -13.925 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.360 -14.640 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.152 -14.656 -3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.884 -13.876 -1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.606 -16.674 -2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.632 -16.340 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.583 -15.608 -1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.326 -14.038 0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.460 -15.053 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.038 -17.913 -0.020 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.867 -17.270 1.617 1.00 0.00 H new ATOM 239 N PRO A 15 -3.855 -10.622 -5.251 1.00 0.00 N ATOM 240 CA PRO A 15 -5.036 -9.848 -5.774 1.00 0.00 C ATOM 241 C PRO A 15 -5.836 -10.689 -6.773 1.00 0.00 C ATOM 242 O PRO A 15 -6.978 -11.035 -6.536 1.00 0.00 O ATOM 243 CB PRO A 15 -4.397 -8.555 -6.368 1.00 0.00 C ATOM 244 CG PRO A 15 -2.942 -8.986 -6.610 1.00 0.00 C ATOM 245 CD PRO A 15 -2.607 -9.802 -5.352 1.00 0.00 C ATOM 0 HA PRO A 15 -5.777 -9.590 -5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.888 -8.247 -7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.462 -7.715 -5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.844 -9.584 -7.516 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.280 -8.127 -6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.713 -10.413 -5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.446 -9.174 -4.476 1.00 0.00 H new ATOM 253 N ALA A 16 -5.167 -10.977 -7.858 1.00 0.00 N ATOM 254 CA ALA A 16 -5.732 -11.791 -8.977 1.00 0.00 C ATOM 255 C ALA A 16 -6.447 -13.072 -8.531 1.00 0.00 C ATOM 256 O ALA A 16 -7.270 -13.575 -9.270 1.00 0.00 O ATOM 257 CB ALA A 16 -4.581 -12.132 -9.925 1.00 0.00 C ATOM 0 H ALA A 16 -4.209 -10.667 -8.021 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.503 -11.194 -9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.958 -12.728 -10.756 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.141 -11.212 -10.309 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.822 -12.700 -9.387 1.00 0.00 H new ATOM 263 N GLN A 17 -6.158 -13.564 -7.361 1.00 0.00 N ATOM 264 CA GLN A 17 -6.845 -14.813 -6.933 1.00 0.00 C ATOM 265 C GLN A 17 -8.225 -14.508 -6.299 1.00 0.00 C ATOM 266 O GLN A 17 -9.211 -15.036 -6.768 1.00 0.00 O ATOM 267 CB GLN A 17 -5.890 -15.530 -5.952 1.00 0.00 C ATOM 268 CG GLN A 17 -6.269 -17.046 -5.888 1.00 0.00 C ATOM 269 CD GLN A 17 -5.964 -17.808 -7.182 1.00 0.00 C ATOM 270 OE1 GLN A 17 -6.586 -18.796 -7.492 1.00 0.00 O ATOM 271 NE2 GLN A 17 -5.021 -17.434 -7.988 1.00 0.00 N ATOM 0 H GLN A 17 -5.493 -13.168 -6.696 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.058 -15.458 -7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.857 -15.414 -6.280 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.962 -15.082 -4.961 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.728 -17.513 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.332 -17.137 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.465 -16.606 -7.773 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.834 -17.967 -8.837 1.00 0.00 H new ATOM 280 N ASN A 18 -8.342 -13.685 -5.290 1.00 0.00 N ATOM 281 CA ASN A 18 -9.724 -13.434 -4.715 1.00 0.00 C ATOM 282 C ASN A 18 -10.332 -12.245 -5.494 1.00 0.00 C ATOM 283 O ASN A 18 -10.753 -11.250 -4.950 1.00 0.00 O ATOM 284 CB ASN A 18 -9.570 -13.114 -3.191 1.00 0.00 C ATOM 285 CG ASN A 18 -10.910 -13.164 -2.419 1.00 0.00 C ATOM 286 OD1 ASN A 18 -11.876 -12.483 -2.674 1.00 0.00 O ATOM 287 ND2 ASN A 18 -11.018 -13.985 -1.427 1.00 0.00 N ATOM 0 H ASN A 18 -7.575 -13.184 -4.842 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.382 -14.298 -4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.875 -13.825 -2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.129 -12.124 -3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.890 -14.036 -0.900 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.232 -14.582 -1.171 1.00 0.00 H new ATOM 294 N ASN A 19 -10.364 -12.394 -6.796 1.00 0.00 N ATOM 295 CA ASN A 19 -10.917 -11.337 -7.731 1.00 0.00 C ATOM 296 C ASN A 19 -10.575 -9.883 -7.308 1.00 0.00 C ATOM 297 O ASN A 19 -11.338 -8.973 -7.572 1.00 0.00 O ATOM 298 CB ASN A 19 -12.473 -11.515 -7.798 1.00 0.00 C ATOM 299 CG ASN A 19 -13.033 -10.844 -9.050 1.00 0.00 C ATOM 300 OD1 ASN A 19 -13.613 -9.774 -9.083 1.00 0.00 O ATOM 301 ND2 ASN A 19 -12.861 -11.474 -10.161 1.00 0.00 N ATOM 0 H ASN A 19 -10.021 -13.228 -7.273 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.448 -11.482 -8.705 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.724 -12.576 -7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.933 -11.083 -6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.207 -11.074 -11.033 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.379 -12.373 -10.168 1.00 0.00 H new ATOM 308 N TRP A 20 -9.426 -9.758 -6.688 1.00 0.00 N ATOM 309 CA TRP A 20 -8.829 -8.494 -6.162 1.00 0.00 C ATOM 310 C TRP A 20 -9.617 -8.190 -4.947 1.00 0.00 C ATOM 311 O TRP A 20 -10.785 -7.897 -5.054 1.00 0.00 O ATOM 312 CB TRP A 20 -8.900 -7.305 -7.246 1.00 0.00 C ATOM 313 CG TRP A 20 -7.703 -7.547 -8.174 1.00 0.00 C ATOM 314 CD1 TRP A 20 -7.386 -8.782 -8.497 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.825 -6.712 -8.765 1.00 0.00 C ATOM 316 NE1 TRP A 20 -6.334 -8.686 -9.267 1.00 0.00 N ATOM 317 CE2 TRP A 20 -5.914 -7.462 -9.490 1.00 0.00 C ATOM 318 CE3 TRP A 20 -6.661 -5.353 -8.778 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -4.890 -6.887 -10.197 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -5.628 -4.796 -9.491 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.747 -5.544 -10.202 1.00 0.00 C ATOM 0 H TRP A 20 -8.827 -10.565 -6.513 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.767 -8.600 -5.940 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -9.839 -7.329 -7.798 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.837 -6.328 -6.766 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -7.890 -9.687 -8.190 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -5.872 -9.503 -9.666 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -7.343 -4.720 -8.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.199 -7.507 -10.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -5.512 -3.722 -9.486 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.949 -5.076 -10.759 1.00 0.00 H new ATOM 332 N ASP A 21 -8.946 -8.299 -3.831 1.00 0.00 N ATOM 333 CA ASP A 21 -9.498 -8.037 -2.459 1.00 0.00 C ATOM 334 C ASP A 21 -10.778 -7.178 -2.471 1.00 0.00 C ATOM 335 O ASP A 21 -11.711 -7.357 -1.723 1.00 0.00 O ATOM 336 CB ASP A 21 -8.381 -7.378 -1.718 1.00 0.00 C ATOM 337 CG ASP A 21 -8.822 -7.281 -0.268 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.613 -8.318 0.345 1.00 0.00 O ATOM 339 OD2 ASP A 21 -9.332 -6.231 0.101 1.00 0.00 O ATOM 0 H ASP A 21 -7.966 -8.580 -3.814 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.818 -8.963 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.462 -7.958 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.174 -6.389 -2.127 1.00 0.00 H new ATOM 344 N LEU A 22 -10.698 -6.240 -3.368 1.00 0.00 N ATOM 345 CA LEU A 22 -11.735 -5.231 -3.700 1.00 0.00 C ATOM 346 C LEU A 22 -13.147 -5.885 -3.597 1.00 0.00 C ATOM 347 O LEU A 22 -14.082 -5.284 -3.117 1.00 0.00 O ATOM 348 CB LEU A 22 -11.425 -4.710 -5.175 1.00 0.00 C ATOM 349 CG LEU A 22 -9.955 -4.262 -5.344 1.00 0.00 C ATOM 350 CD1 LEU A 22 -9.647 -3.561 -6.665 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.687 -3.190 -4.264 1.00 0.00 C ATOM 0 H LEU A 22 -9.862 -6.128 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.721 -4.389 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.645 -5.502 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.086 -3.875 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.351 -5.167 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.593 -3.284 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.867 -4.234 -7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.260 -2.664 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.657 -2.842 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.366 -2.350 -4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.848 -3.621 -3.276 1.00 0.00 H new ATOM 363 N GLY A 23 -13.251 -7.111 -4.055 1.00 0.00 N ATOM 364 CA GLY A 23 -14.556 -7.872 -4.028 1.00 0.00 C ATOM 365 C GLY A 23 -14.722 -8.936 -2.936 1.00 0.00 C ATOM 366 O GLY A 23 -15.663 -9.700 -2.984 1.00 0.00 O ATOM 0 H GLY A 23 -12.472 -7.633 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.366 -7.150 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.685 -8.357 -4.995 1.00 0.00 H new ATOM 370 N ALA A 24 -13.800 -8.957 -2.021 1.00 0.00 N ATOM 371 CA ALA A 24 -13.781 -9.896 -0.868 1.00 0.00 C ATOM 372 C ALA A 24 -14.555 -9.272 0.338 1.00 0.00 C ATOM 373 O ALA A 24 -13.998 -8.467 1.068 1.00 0.00 O ATOM 374 CB ALA A 24 -12.337 -10.171 -0.478 1.00 0.00 C ATOM 0 H ALA A 24 -13.006 -8.317 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.267 -10.831 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.313 -10.859 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.810 -10.615 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.851 -9.236 -0.199 1.00 0.00 H new ATOM 380 N PRO A 25 -15.803 -9.647 0.542 1.00 0.00 N ATOM 381 CA PRO A 25 -16.698 -8.961 1.528 1.00 0.00 C ATOM 382 C PRO A 25 -15.973 -8.683 2.865 1.00 0.00 C ATOM 383 O PRO A 25 -15.885 -7.583 3.374 1.00 0.00 O ATOM 384 CB PRO A 25 -17.909 -9.906 1.695 1.00 0.00 C ATOM 385 CG PRO A 25 -17.766 -11.042 0.623 1.00 0.00 C ATOM 386 CD PRO A 25 -16.438 -10.803 -0.146 1.00 0.00 C ATOM 0 HA PRO A 25 -17.011 -7.977 1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.932 -10.327 2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -18.843 -9.362 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -17.759 -12.021 1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -18.613 -11.029 -0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.797 -11.684 -0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.624 -10.584 -1.198 1.00 0.00 H new ATOM 394 N ALA A 26 -15.463 -9.777 3.354 1.00 0.00 N ATOM 395 CA ALA A 26 -14.709 -9.852 4.640 1.00 0.00 C ATOM 396 C ALA A 26 -13.512 -8.899 4.787 1.00 0.00 C ATOM 397 O ALA A 26 -13.010 -8.730 5.881 1.00 0.00 O ATOM 398 CB ALA A 26 -14.276 -11.324 4.784 1.00 0.00 C ATOM 0 H ALA A 26 -15.544 -10.679 2.884 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.368 -9.513 5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.716 -11.449 5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.159 -11.963 4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.647 -11.602 3.939 1.00 0.00 H new ATOM 404 N VAL A 27 -13.098 -8.316 3.702 1.00 0.00 N ATOM 405 CA VAL A 27 -11.930 -7.377 3.739 1.00 0.00 C ATOM 406 C VAL A 27 -12.337 -5.961 3.354 1.00 0.00 C ATOM 407 O VAL A 27 -12.134 -4.990 4.052 1.00 0.00 O ATOM 408 CB VAL A 27 -10.869 -7.812 2.749 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.609 -7.013 3.078 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.606 -9.332 2.809 1.00 0.00 C ATOM 0 H VAL A 27 -13.516 -8.446 2.781 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.550 -7.395 4.761 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.200 -7.616 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.811 -7.292 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.818 -5.948 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.298 -7.229 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.838 -9.597 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.268 -9.604 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.526 -9.870 2.578 1.00 0.00 H new ATOM 420 N SER A 28 -12.902 -5.973 2.185 1.00 0.00 N ATOM 421 CA SER A 28 -13.416 -4.760 1.498 1.00 0.00 C ATOM 422 C SER A 28 -12.703 -3.403 1.791 1.00 0.00 C ATOM 423 O SER A 28 -13.243 -2.564 2.476 1.00 0.00 O ATOM 424 CB SER A 28 -14.968 -4.658 1.827 1.00 0.00 C ATOM 425 OG SER A 28 -15.141 -4.890 3.225 1.00 0.00 O ATOM 0 H SER A 28 -13.036 -6.829 1.646 1.00 0.00 H new ATOM 0 HA SER A 28 -13.202 -4.905 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.351 -3.675 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.529 -5.391 1.247 1.00 0.00 H new ATOM 0 HG SER A 28 -15.423 -5.817 3.370 1.00 0.00 H new ATOM 431 N ALA A 29 -11.512 -3.192 1.268 1.00 0.00 N ATOM 432 CA ALA A 29 -10.705 -1.908 1.479 1.00 0.00 C ATOM 433 C ALA A 29 -11.355 -0.534 1.088 1.00 0.00 C ATOM 434 O ALA A 29 -12.347 -0.519 0.390 1.00 0.00 O ATOM 435 CB ALA A 29 -9.390 -2.133 0.716 1.00 0.00 C ATOM 0 H ALA A 29 -11.037 -3.876 0.679 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.601 -1.774 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.754 -1.254 0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.876 -3.002 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.606 -2.303 -0.339 1.00 0.00 H new ATOM 441 N TYR A 30 -10.800 0.598 1.508 1.00 0.00 N ATOM 442 CA TYR A 30 -11.422 1.929 1.148 1.00 0.00 C ATOM 443 C TYR A 30 -12.414 2.122 -0.013 1.00 0.00 C ATOM 444 O TYR A 30 -13.498 2.592 0.265 1.00 0.00 O ATOM 445 CB TYR A 30 -10.282 3.010 0.961 1.00 0.00 C ATOM 446 CG TYR A 30 -10.493 4.166 1.988 1.00 0.00 C ATOM 447 CD1 TYR A 30 -11.776 4.674 2.191 1.00 0.00 C ATOM 448 CD2 TYR A 30 -9.461 4.729 2.710 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.014 5.702 3.082 1.00 0.00 C ATOM 450 CE2 TYR A 30 -9.701 5.765 3.607 1.00 0.00 C ATOM 451 CZ TYR A 30 -10.971 6.249 3.795 1.00 0.00 C ATOM 452 OH TYR A 30 -11.181 7.264 4.700 1.00 0.00 O ATOM 0 H TYR A 30 -9.955 0.655 2.076 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.083 2.026 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.304 2.552 1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.301 3.403 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.603 4.253 1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.454 4.361 2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.018 6.077 3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.879 6.193 4.161 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.327 7.521 5.107 1.00 0.00 H new ATOM 462 N CYS A 31 -12.065 1.786 -1.221 1.00 0.00 N ATOM 463 CA CYS A 31 -13.055 1.984 -2.340 1.00 0.00 C ATOM 464 C CYS A 31 -13.452 0.624 -2.948 1.00 0.00 C ATOM 465 O CYS A 31 -13.929 0.522 -4.060 1.00 0.00 O ATOM 466 CB CYS A 31 -12.396 2.908 -3.395 1.00 0.00 C ATOM 467 SG CYS A 31 -11.371 4.299 -2.839 1.00 0.00 S ATOM 0 H CYS A 31 -11.163 1.392 -1.489 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.970 2.447 -1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.778 2.282 -4.039 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.193 3.316 -4.017 1.00 0.00 H new ATOM 472 N ALA A 32 -13.251 -0.419 -2.193 1.00 0.00 N ATOM 473 CA ALA A 32 -13.590 -1.803 -2.650 1.00 0.00 C ATOM 474 C ALA A 32 -15.057 -1.874 -3.137 1.00 0.00 C ATOM 475 O ALA A 32 -15.386 -2.496 -4.121 1.00 0.00 O ATOM 476 CB ALA A 32 -13.334 -2.689 -1.449 1.00 0.00 C ATOM 0 H ALA A 32 -12.856 -0.372 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 32 -12.990 -2.122 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.561 -3.724 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.288 -2.609 -1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.969 -2.373 -0.622 1.00 0.00 H new ATOM 482 N THR A 33 -15.879 -1.202 -2.391 1.00 0.00 N ATOM 483 CA THR A 33 -17.365 -1.096 -2.614 1.00 0.00 C ATOM 484 C THR A 33 -17.819 -0.158 -3.748 1.00 0.00 C ATOM 485 O THR A 33 -18.985 -0.123 -4.096 1.00 0.00 O ATOM 486 CB THR A 33 -17.918 -0.653 -1.271 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.510 -1.710 -0.417 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.432 -0.654 -1.142 1.00 0.00 C ATOM 0 H THR A 33 -15.565 -0.680 -1.573 1.00 0.00 H new ATOM 0 HA THR A 33 -17.745 -2.058 -2.957 1.00 0.00 H new ATOM 0 HB THR A 33 -17.580 0.365 -1.077 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.816 -1.529 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.712 -0.321 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.861 0.020 -1.883 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.811 -1.663 -1.307 1.00 0.00 H new ATOM 496 N TRP A 34 -16.873 0.572 -4.280 1.00 0.00 N ATOM 497 CA TRP A 34 -17.127 1.550 -5.397 1.00 0.00 C ATOM 498 C TRP A 34 -16.245 1.361 -6.651 1.00 0.00 C ATOM 499 O TRP A 34 -16.737 1.408 -7.762 1.00 0.00 O ATOM 500 CB TRP A 34 -16.966 2.943 -4.741 1.00 0.00 C ATOM 501 CG TRP A 34 -18.074 3.043 -3.675 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.395 2.765 -3.879 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.896 3.388 -2.389 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.924 2.959 -2.687 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.098 3.335 -1.726 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.748 3.758 -1.719 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.162 3.646 -0.390 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.805 4.075 -0.369 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.020 4.014 0.294 1.00 0.00 C ATOM 0 H TRP A 34 -15.899 0.533 -3.980 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.123 1.399 -5.814 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.980 3.050 -4.289 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.065 3.737 -5.482 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.886 2.461 -4.792 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.921 2.826 -2.515 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.806 3.801 -2.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.109 3.603 0.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.910 4.367 0.160 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.074 4.254 1.346 1.00 0.00 H new ATOM 520 N ASP A 35 -14.973 1.139 -6.493 1.00 0.00 N ATOM 521 CA ASP A 35 -14.058 0.948 -7.657 1.00 0.00 C ATOM 522 C ASP A 35 -14.148 -0.477 -8.192 1.00 0.00 C ATOM 523 O ASP A 35 -14.191 -0.666 -9.394 1.00 0.00 O ATOM 524 CB ASP A 35 -12.628 1.175 -7.239 1.00 0.00 C ATOM 525 CG ASP A 35 -12.308 2.593 -6.837 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.184 3.415 -6.649 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.103 2.692 -6.755 1.00 0.00 O ATOM 0 H ASP A 35 -14.515 1.080 -5.584 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.359 1.661 -8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.398 0.514 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.973 0.888 -8.062 1.00 0.00 H new ATOM 532 N ALA A 36 -14.162 -1.429 -7.274 1.00 0.00 N ATOM 533 CA ALA A 36 -14.248 -2.892 -7.664 1.00 0.00 C ATOM 534 C ALA A 36 -15.202 -3.127 -8.854 1.00 0.00 C ATOM 535 O ALA A 36 -14.973 -4.041 -9.628 1.00 0.00 O ATOM 536 CB ALA A 36 -14.746 -3.709 -6.488 1.00 0.00 C ATOM 0 H ALA A 36 -14.118 -1.258 -6.269 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.245 -3.200 -7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.806 -4.759 -6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.057 -3.600 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.734 -3.357 -6.193 1.00 0.00 H new ATOM 542 N SER A 37 -16.211 -2.278 -8.867 1.00 0.00 N ATOM 543 CA SER A 37 -17.307 -2.231 -9.893 1.00 0.00 C ATOM 544 C SER A 37 -16.745 -2.215 -11.310 1.00 0.00 C ATOM 545 O SER A 37 -17.186 -2.953 -12.166 1.00 0.00 O ATOM 546 CB SER A 37 -18.165 -0.952 -9.701 1.00 0.00 C ATOM 547 OG SER A 37 -17.327 0.134 -10.113 1.00 0.00 O ATOM 0 H SER A 37 -16.321 -1.563 -8.148 1.00 0.00 H new ATOM 0 HA SER A 37 -17.915 -3.126 -9.756 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.075 -0.996 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.473 -0.838 -8.662 1.00 0.00 H new ATOM 0 HG SER A 37 -16.958 0.580 -9.323 1.00 0.00 H new ATOM 553 N LYS A 38 -15.781 -1.360 -11.517 1.00 0.00 N ATOM 554 CA LYS A 38 -15.159 -1.254 -12.868 1.00 0.00 C ATOM 555 C LYS A 38 -14.620 -2.585 -13.388 1.00 0.00 C ATOM 556 O LYS A 38 -14.066 -3.369 -12.644 1.00 0.00 O ATOM 557 CB LYS A 38 -14.034 -0.214 -12.784 1.00 0.00 C ATOM 558 CG LYS A 38 -14.647 1.154 -13.002 1.00 0.00 C ATOM 559 CD LYS A 38 -13.690 2.222 -12.456 1.00 0.00 C ATOM 560 CE LYS A 38 -14.315 3.558 -12.794 1.00 0.00 C ATOM 561 NZ LYS A 38 -13.858 4.577 -11.801 1.00 0.00 N ATOM 0 H LYS A 38 -15.398 -0.731 -10.811 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.927 -0.950 -13.580 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.543 -0.261 -11.812 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.272 -0.415 -13.537 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.830 1.320 -14.064 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.611 1.219 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.559 2.114 -11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.703 2.128 -12.908 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.032 3.862 -13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.402 3.479 -12.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.284 5.498 -12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.150 4.286 -10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.822 4.657 -11.837 1.00 0.00 H new ATOM 575 N PRO A 39 -14.784 -2.809 -14.671 1.00 0.00 N ATOM 576 CA PRO A 39 -14.493 -4.135 -15.277 1.00 0.00 C ATOM 577 C PRO A 39 -13.065 -4.670 -14.981 1.00 0.00 C ATOM 578 O PRO A 39 -12.120 -3.940 -14.737 1.00 0.00 O ATOM 579 CB PRO A 39 -14.790 -3.896 -16.785 1.00 0.00 C ATOM 580 CG PRO A 39 -14.535 -2.371 -16.939 1.00 0.00 C ATOM 581 CD PRO A 39 -15.240 -1.823 -15.699 1.00 0.00 C ATOM 0 HA PRO A 39 -15.100 -4.935 -14.853 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.134 -4.484 -17.426 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.814 -4.165 -17.045 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.472 -2.131 -16.947 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.959 -1.974 -17.862 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.932 -0.805 -15.463 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.324 -1.810 -15.810 1.00 0.00 H new ATOM 589 N LEU A 40 -12.942 -5.975 -15.012 1.00 0.00 N ATOM 590 CA LEU A 40 -11.639 -6.658 -14.757 1.00 0.00 C ATOM 591 C LEU A 40 -10.510 -5.916 -15.481 1.00 0.00 C ATOM 592 O LEU A 40 -9.601 -5.426 -14.854 1.00 0.00 O ATOM 593 CB LEU A 40 -11.852 -8.103 -15.240 1.00 0.00 C ATOM 594 CG LEU A 40 -12.268 -9.003 -14.061 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.851 -10.302 -14.627 1.00 0.00 C ATOM 596 CD2 LEU A 40 -10.993 -9.390 -13.295 1.00 0.00 C ATOM 0 H LEU A 40 -13.715 -6.611 -15.209 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.338 -6.660 -13.709 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.620 -8.126 -16.013 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.935 -8.482 -15.690 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.987 -8.488 -13.425 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.152 -10.954 -13.807 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.719 -10.072 -15.245 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.097 -10.806 -15.233 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.255 -10.029 -12.452 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.317 -9.927 -13.961 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.501 -8.489 -12.928 1.00 0.00 H new ATOM 608 N SER A 41 -10.627 -5.870 -16.776 1.00 0.00 N ATOM 609 CA SER A 41 -9.630 -5.178 -17.667 1.00 0.00 C ATOM 610 C SER A 41 -8.882 -3.993 -17.007 1.00 0.00 C ATOM 611 O SER A 41 -7.680 -4.004 -16.840 1.00 0.00 O ATOM 612 CB SER A 41 -10.402 -4.697 -18.907 1.00 0.00 C ATOM 613 OG SER A 41 -11.419 -3.871 -18.330 1.00 0.00 O ATOM 0 H SER A 41 -11.402 -6.299 -17.282 1.00 0.00 H new ATOM 0 HA SER A 41 -8.843 -5.892 -17.911 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.764 -4.138 -19.592 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.825 -5.528 -19.471 1.00 0.00 H new ATOM 0 HG SER A 41 -11.982 -3.501 -19.041 1.00 0.00 H new ATOM 619 N TRP A 42 -9.655 -2.999 -16.649 1.00 0.00 N ATOM 620 CA TRP A 42 -9.090 -1.769 -16.000 1.00 0.00 C ATOM 621 C TRP A 42 -8.498 -2.069 -14.617 1.00 0.00 C ATOM 622 O TRP A 42 -7.391 -1.653 -14.301 1.00 0.00 O ATOM 623 CB TRP A 42 -10.227 -0.716 -15.917 1.00 0.00 C ATOM 624 CG TRP A 42 -9.792 0.552 -15.146 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.120 1.603 -15.690 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.007 0.806 -13.831 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.971 2.423 -14.668 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.473 2.034 -13.499 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.643 0.046 -12.862 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.582 2.493 -12.196 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.753 0.503 -11.564 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.219 1.734 -11.228 1.00 0.00 C ATOM 0 H TRP A 42 -10.667 -2.984 -16.779 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.263 -1.384 -16.597 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.537 -0.438 -16.924 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.094 -1.158 -15.427 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.789 1.734 -16.710 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.491 3.317 -14.769 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.058 -0.916 -13.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.165 3.454 -11.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.252 -0.096 -10.817 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.298 2.102 -10.216 1.00 0.00 H new ATOM 643 N ARG A 43 -9.281 -2.793 -13.861 1.00 0.00 N ATOM 644 CA ARG A 43 -8.873 -3.186 -12.477 1.00 0.00 C ATOM 645 C ARG A 43 -7.491 -3.859 -12.545 1.00 0.00 C ATOM 646 O ARG A 43 -6.644 -3.545 -11.737 1.00 0.00 O ATOM 647 CB ARG A 43 -9.975 -4.124 -11.922 1.00 0.00 C ATOM 648 CG ARG A 43 -9.645 -4.593 -10.463 1.00 0.00 C ATOM 649 CD ARG A 43 -10.983 -4.879 -9.724 1.00 0.00 C ATOM 650 NE ARG A 43 -11.800 -5.818 -10.559 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.446 -6.779 -10.018 1.00 0.00 C ATOM 652 NH1 ARG A 43 -11.847 -7.876 -9.850 1.00 0.00 N ATOM 653 NH2 ARG A 43 -13.653 -6.585 -9.676 1.00 0.00 N ATOM 0 H ARG A 43 -10.199 -3.134 -14.147 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.779 -2.332 -11.807 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.934 -3.606 -11.931 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.076 -4.994 -12.571 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.025 -5.489 -10.484 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.078 -3.825 -9.937 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.788 -5.316 -8.745 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.528 -3.950 -9.556 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.841 -5.689 -11.570 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.875 -7.977 -10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.334 -8.663 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.088 -5.676 -9.835 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.188 -7.338 -9.243 1.00 0.00 H new ATOM 667 N SER A 44 -7.309 -4.754 -13.492 1.00 0.00 N ATOM 668 CA SER A 44 -5.984 -5.445 -13.629 1.00 0.00 C ATOM 669 C SER A 44 -4.984 -4.470 -14.275 1.00 0.00 C ATOM 670 O SER A 44 -3.852 -4.377 -13.853 1.00 0.00 O ATOM 671 CB SER A 44 -6.158 -6.720 -14.502 1.00 0.00 C ATOM 672 OG SER A 44 -6.808 -6.284 -15.694 1.00 0.00 O ATOM 0 H SER A 44 -8.016 -5.034 -14.171 1.00 0.00 H new ATOM 0 HA SER A 44 -5.605 -5.746 -12.652 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.194 -7.176 -14.726 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.753 -7.472 -13.984 1.00 0.00 H new ATOM 0 HG SER A 44 -6.945 -7.049 -16.290 1.00 0.00 H new ATOM 678 N LYS A 45 -5.417 -3.771 -15.294 1.00 0.00 N ATOM 679 CA LYS A 45 -4.555 -2.774 -16.017 1.00 0.00 C ATOM 680 C LYS A 45 -3.699 -1.870 -15.090 1.00 0.00 C ATOM 681 O LYS A 45 -2.514 -1.726 -15.321 1.00 0.00 O ATOM 682 CB LYS A 45 -5.451 -1.853 -16.892 1.00 0.00 C ATOM 683 CG LYS A 45 -4.515 -0.971 -17.775 1.00 0.00 C ATOM 684 CD LYS A 45 -5.235 0.263 -18.374 1.00 0.00 C ATOM 685 CE LYS A 45 -5.341 1.398 -17.337 1.00 0.00 C ATOM 686 NZ LYS A 45 -5.772 2.630 -18.063 1.00 0.00 N ATOM 0 H LYS A 45 -6.362 -3.850 -15.669 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.862 -3.367 -16.614 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.115 -2.450 -17.518 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.083 -1.227 -16.263 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.669 -0.636 -17.175 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.111 -1.578 -18.585 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.691 0.616 -19.250 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.232 -0.021 -18.711 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.059 1.140 -16.559 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.382 1.559 -16.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.293 3.458 -17.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.523 2.545 -19.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.801 2.745 -17.970 1.00 0.00 H new ATOM 700 N TYR A 46 -4.328 -1.287 -14.099 1.00 0.00 N ATOM 701 CA TYR A 46 -3.587 -0.377 -13.135 1.00 0.00 C ATOM 702 C TYR A 46 -3.277 -1.006 -11.749 1.00 0.00 C ATOM 703 O TYR A 46 -3.682 -2.106 -11.447 1.00 0.00 O ATOM 704 CB TYR A 46 -4.441 0.938 -12.941 1.00 0.00 C ATOM 705 CG TYR A 46 -3.758 2.183 -13.559 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.411 2.414 -13.363 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.466 3.098 -14.324 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.792 3.511 -13.912 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.837 4.209 -14.879 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.487 4.413 -14.670 1.00 0.00 C ATOM 711 OH TYR A 46 -1.795 5.486 -15.193 1.00 0.00 O ATOM 0 H TYR A 46 -5.324 -1.395 -13.906 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.613 -0.175 -13.582 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.422 0.801 -13.397 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.605 1.108 -11.877 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.834 1.721 -12.768 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.522 2.946 -14.492 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.737 3.664 -13.742 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.404 4.911 -15.472 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.428 6.183 -15.464 1.00 0.00 H new ATOM 721 N GLY A 47 -2.564 -0.295 -10.914 1.00 0.00 N ATOM 722 CA GLY A 47 -2.212 -0.825 -9.551 1.00 0.00 C ATOM 723 C GLY A 47 -3.105 -0.202 -8.486 1.00 0.00 C ATOM 724 O GLY A 47 -3.946 0.626 -8.756 1.00 0.00 O ATOM 0 H GLY A 47 -2.205 0.638 -11.115 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.322 -1.909 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.167 -0.608 -9.329 1.00 0.00 H new ATOM 728 N TRP A 48 -2.926 -0.587 -7.264 1.00 0.00 N ATOM 729 CA TRP A 48 -3.718 -0.076 -6.123 1.00 0.00 C ATOM 730 C TRP A 48 -2.854 -0.179 -4.902 1.00 0.00 C ATOM 731 O TRP A 48 -2.656 -1.186 -4.266 1.00 0.00 O ATOM 732 CB TRP A 48 -5.049 -0.872 -5.950 1.00 0.00 C ATOM 733 CG TRP A 48 -5.016 -2.353 -6.245 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.359 -2.925 -7.270 1.00 0.00 C ATOM 735 CD2 TRP A 48 -5.660 -3.303 -5.539 1.00 0.00 C ATOM 736 NE1 TRP A 48 -4.640 -4.188 -7.120 1.00 0.00 N ATOM 737 CE2 TRP A 48 -5.418 -4.517 -6.118 1.00 0.00 C ATOM 738 CE3 TRP A 48 -6.483 -3.237 -4.429 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -5.982 -5.655 -5.621 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -7.052 -4.398 -3.927 1.00 0.00 C ATOM 741 CH2 TRP A 48 -6.806 -5.614 -4.524 1.00 0.00 C ATOM 0 H TRP A 48 -2.222 -1.275 -6.996 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.008 0.960 -6.296 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.389 -0.741 -4.923 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.800 -0.417 -6.595 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.750 -2.454 -8.028 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.269 -4.893 -7.757 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -6.681 -2.287 -3.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.777 -6.602 -6.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -7.694 -4.348 -3.060 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -7.253 -6.518 -4.137 1.00 0.00 H new ATOM 752 N THR A 49 -2.323 0.958 -4.648 1.00 0.00 N ATOM 753 CA THR A 49 -1.418 1.171 -3.483 1.00 0.00 C ATOM 754 C THR A 49 -2.238 1.707 -2.325 1.00 0.00 C ATOM 755 O THR A 49 -3.340 2.201 -2.486 1.00 0.00 O ATOM 756 CB THR A 49 -0.319 2.188 -3.859 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.951 3.183 -4.653 1.00 0.00 O ATOM 758 CG2 THR A 49 0.713 1.642 -4.824 1.00 0.00 C ATOM 0 H THR A 49 -2.476 1.792 -5.215 1.00 0.00 H new ATOM 0 HA THR A 49 -0.946 0.230 -3.200 1.00 0.00 H new ATOM 0 HB THR A 49 0.147 2.501 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.895 3.254 -4.399 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.452 2.413 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.209 0.780 -4.377 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.222 1.339 -5.749 1.00 0.00 H new ATOM 766 N ALA A 50 -1.693 1.613 -1.158 1.00 0.00 N ATOM 767 CA ALA A 50 -2.388 2.099 0.054 1.00 0.00 C ATOM 768 C ALA A 50 -1.633 3.313 0.612 1.00 0.00 C ATOM 769 O ALA A 50 -0.486 3.536 0.280 1.00 0.00 O ATOM 770 CB ALA A 50 -2.406 0.907 1.011 1.00 0.00 C ATOM 0 H ALA A 50 -0.772 1.210 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.407 2.439 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.907 1.191 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.941 0.077 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.383 0.602 1.231 1.00 0.00 H new ATOM 776 N PHE A 51 -2.267 4.088 1.446 1.00 0.00 N ATOM 777 CA PHE A 51 -1.545 5.284 2.015 1.00 0.00 C ATOM 778 C PHE A 51 -1.469 5.214 3.566 1.00 0.00 C ATOM 779 O PHE A 51 -2.469 5.280 4.240 1.00 0.00 O ATOM 780 CB PHE A 51 -2.309 6.541 1.470 1.00 0.00 C ATOM 781 CG PHE A 51 -3.688 6.758 2.114 1.00 0.00 C ATOM 782 CD1 PHE A 51 -3.810 7.475 3.291 1.00 0.00 C ATOM 783 CD2 PHE A 51 -4.823 6.253 1.520 1.00 0.00 C ATOM 784 CE1 PHE A 51 -5.044 7.690 3.868 1.00 0.00 C ATOM 785 CE2 PHE A 51 -6.061 6.465 2.095 1.00 0.00 C ATOM 786 CZ PHE A 51 -6.176 7.184 3.268 1.00 0.00 C ATOM 0 H PHE A 51 -3.229 3.960 1.759 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.501 5.326 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.697 7.427 1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.434 6.439 0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.925 7.873 3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.745 5.690 0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.123 8.253 4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.946 6.065 1.623 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.147 7.349 3.712 1.00 0.00 H new ATOM 796 N CYS A 52 -0.283 5.083 4.114 1.00 0.00 N ATOM 797 CA CYS A 52 -0.123 5.000 5.619 1.00 0.00 C ATOM 798 C CYS A 52 0.682 6.170 6.220 1.00 0.00 C ATOM 799 O CYS A 52 1.355 6.095 7.230 1.00 0.00 O ATOM 800 CB CYS A 52 0.548 3.644 5.923 1.00 0.00 C ATOM 801 SG CYS A 52 -0.559 2.336 6.493 1.00 0.00 S ATOM 0 H CYS A 52 0.590 5.029 3.589 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.104 5.075 6.087 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.055 3.299 5.021 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.316 3.801 6.680 1.00 0.00 H new ATOM 806 N GLY A 53 0.547 7.251 5.513 1.00 0.00 N ATOM 807 CA GLY A 53 1.226 8.543 5.875 1.00 0.00 C ATOM 808 C GLY A 53 2.436 8.847 4.986 1.00 0.00 C ATOM 809 O GLY A 53 3.438 9.297 5.496 1.00 0.00 O ATOM 0 H GLY A 53 -0.023 7.304 4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.509 9.360 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.547 8.500 6.916 1.00 0.00 H new ATOM 813 N PRO A 54 2.337 8.610 3.695 1.00 0.00 N ATOM 814 CA PRO A 54 3.520 8.681 2.775 1.00 0.00 C ATOM 815 C PRO A 54 4.247 10.040 2.888 1.00 0.00 C ATOM 816 O PRO A 54 5.314 10.178 3.449 1.00 0.00 O ATOM 817 CB PRO A 54 2.878 8.368 1.393 1.00 0.00 C ATOM 818 CG PRO A 54 1.393 8.786 1.568 1.00 0.00 C ATOM 819 CD PRO A 54 1.083 8.271 2.966 1.00 0.00 C ATOM 0 HA PRO A 54 4.328 7.984 2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.359 8.930 0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.969 7.312 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.261 9.865 1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.750 8.332 0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.212 8.762 3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.882 7.200 2.973 1.00 0.00 H new ATOM 827 N ALA A 55 3.633 11.010 2.280 1.00 0.00 N ATOM 828 CA ALA A 55 4.137 12.417 2.271 1.00 0.00 C ATOM 829 C ALA A 55 2.948 13.326 1.929 1.00 0.00 C ATOM 830 O ALA A 55 3.006 14.143 1.022 1.00 0.00 O ATOM 831 CB ALA A 55 5.265 12.487 1.238 1.00 0.00 C ATOM 0 H ALA A 55 2.762 10.883 1.764 1.00 0.00 H new ATOM 0 HA ALA A 55 4.540 12.743 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.662 13.502 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.060 11.797 1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.877 12.212 0.257 1.00 0.00 H new ATOM 837 N GLY A 56 1.902 13.119 2.691 1.00 0.00 N ATOM 838 CA GLY A 56 0.637 13.909 2.500 1.00 0.00 C ATOM 839 C GLY A 56 -0.420 13.043 1.793 1.00 0.00 C ATOM 840 O GLY A 56 -0.513 13.136 0.591 1.00 0.00 O ATOM 0 H GLY A 56 1.866 12.432 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.258 14.244 3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.842 14.802 1.910 1.00 0.00 H new ATOM 844 N PRO A 57 -1.179 12.215 2.465 1.00 0.00 N ATOM 845 CA PRO A 57 -2.415 11.624 1.837 1.00 0.00 C ATOM 846 C PRO A 57 -3.605 12.622 1.583 1.00 0.00 C ATOM 847 O PRO A 57 -3.651 13.704 2.130 1.00 0.00 O ATOM 848 CB PRO A 57 -2.735 10.483 2.810 1.00 0.00 C ATOM 849 CG PRO A 57 -2.297 11.094 4.185 1.00 0.00 C ATOM 850 CD PRO A 57 -0.940 11.746 3.858 1.00 0.00 C ATOM 0 HA PRO A 57 -2.248 11.298 0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.793 10.222 2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.180 9.576 2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.018 11.825 4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.202 10.328 4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.703 12.567 4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.116 11.035 3.918 1.00 0.00 H new ATOM 858 N ARG A 58 -4.551 12.227 0.755 1.00 0.00 N ATOM 859 CA ARG A 58 -5.744 13.090 0.428 1.00 0.00 C ATOM 860 C ARG A 58 -7.118 12.431 0.786 1.00 0.00 C ATOM 861 O ARG A 58 -8.110 12.565 0.098 1.00 0.00 O ATOM 862 CB ARG A 58 -5.518 13.480 -1.126 1.00 0.00 C ATOM 863 CG ARG A 58 -6.677 14.329 -1.761 1.00 0.00 C ATOM 864 CD ARG A 58 -6.351 14.771 -3.223 1.00 0.00 C ATOM 865 NE ARG A 58 -5.725 16.153 -3.207 1.00 0.00 N ATOM 866 CZ ARG A 58 -6.270 17.151 -3.803 1.00 0.00 C ATOM 867 NH1 ARG A 58 -6.425 17.102 -5.067 1.00 0.00 N ATOM 868 NH2 ARG A 58 -6.635 18.148 -3.101 1.00 0.00 N ATOM 0 H ARG A 58 -4.547 11.324 0.282 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.807 13.988 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.586 14.037 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.398 12.563 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.597 13.745 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.856 15.212 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.670 14.057 -3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.261 14.779 -3.823 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.846 16.293 -2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.118 16.280 -5.587 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.856 17.885 -5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.492 18.140 -2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.071 18.955 -3.548 1.00 0.00 H new ATOM 882 N GLY A 59 -7.113 11.753 1.918 1.00 0.00 N ATOM 883 CA GLY A 59 -8.325 11.016 2.469 1.00 0.00 C ATOM 884 C GLY A 59 -9.242 10.480 1.367 1.00 0.00 C ATOM 885 O GLY A 59 -8.762 10.028 0.348 1.00 0.00 O ATOM 0 H GLY A 59 -6.287 11.674 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.989 10.187 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.892 11.688 3.113 1.00 0.00 H new ATOM 889 N GLN A 60 -10.528 10.526 1.585 1.00 0.00 N ATOM 890 CA GLN A 60 -11.512 10.025 0.555 1.00 0.00 C ATOM 891 C GLN A 60 -11.118 10.548 -0.855 1.00 0.00 C ATOM 892 O GLN A 60 -10.886 9.821 -1.803 1.00 0.00 O ATOM 893 CB GLN A 60 -12.919 10.529 0.962 1.00 0.00 C ATOM 894 CG GLN A 60 -13.286 10.041 2.400 1.00 0.00 C ATOM 895 CD GLN A 60 -14.573 10.711 2.898 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.647 10.544 2.370 1.00 0.00 O ATOM 897 NE2 GLN A 60 -14.532 11.494 3.926 1.00 0.00 N ATOM 0 H GLN A 60 -10.953 10.891 2.438 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.508 8.936 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.946 11.618 0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.660 10.167 0.250 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.413 8.958 2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.467 10.265 3.084 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.646 11.664 4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.385 11.942 4.260 1.00 0.00 H new ATOM 906 N ALA A 61 -11.036 11.848 -0.930 1.00 0.00 N ATOM 907 CA ALA A 61 -10.671 12.542 -2.205 1.00 0.00 C ATOM 908 C ALA A 61 -9.312 12.091 -2.826 1.00 0.00 C ATOM 909 O ALA A 61 -8.869 12.627 -3.826 1.00 0.00 O ATOM 910 CB ALA A 61 -10.680 14.044 -1.878 1.00 0.00 C ATOM 0 H ALA A 61 -11.210 12.475 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.392 12.281 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.420 14.612 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.673 14.336 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.953 14.250 -1.093 1.00 0.00 H new ATOM 916 N ALA A 62 -8.654 11.128 -2.236 1.00 0.00 N ATOM 917 CA ALA A 62 -7.364 10.662 -2.803 1.00 0.00 C ATOM 918 C ALA A 62 -7.689 9.495 -3.781 1.00 0.00 C ATOM 919 O ALA A 62 -6.876 9.188 -4.633 1.00 0.00 O ATOM 920 CB ALA A 62 -6.477 10.257 -1.592 1.00 0.00 C ATOM 0 H ALA A 62 -8.957 10.648 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.818 11.411 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.510 9.904 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.330 11.121 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.968 9.462 -1.031 1.00 0.00 H new ATOM 926 N CYS A 63 -8.865 8.899 -3.676 1.00 0.00 N ATOM 927 CA CYS A 63 -9.276 7.752 -4.582 1.00 0.00 C ATOM 928 C CYS A 63 -9.637 8.295 -6.019 1.00 0.00 C ATOM 929 O CYS A 63 -10.502 7.824 -6.734 1.00 0.00 O ATOM 930 CB CYS A 63 -10.494 7.053 -3.886 1.00 0.00 C ATOM 931 SG CYS A 63 -11.001 5.415 -4.486 1.00 0.00 S ATOM 0 H CYS A 63 -9.572 9.162 -2.989 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.468 7.034 -4.725 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.264 6.962 -2.824 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.353 7.719 -3.970 1.00 0.00 H new ATOM 936 N GLY A 64 -8.909 9.321 -6.376 1.00 0.00 N ATOM 937 CA GLY A 64 -8.996 10.057 -7.669 1.00 0.00 C ATOM 938 C GLY A 64 -7.578 10.333 -8.201 1.00 0.00 C ATOM 939 O GLY A 64 -7.443 10.945 -9.240 1.00 0.00 O ATOM 0 H GLY A 64 -8.194 9.708 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.560 9.472 -8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.532 10.996 -7.530 1.00 0.00 H new ATOM 943 N LYS A 65 -6.559 9.895 -7.486 1.00 0.00 N ATOM 944 CA LYS A 65 -5.145 10.121 -7.930 1.00 0.00 C ATOM 945 C LYS A 65 -4.343 8.805 -7.943 1.00 0.00 C ATOM 946 O LYS A 65 -4.700 7.784 -7.375 1.00 0.00 O ATOM 947 CB LYS A 65 -4.429 11.162 -6.957 1.00 0.00 C ATOM 948 CG LYS A 65 -4.985 12.604 -7.135 1.00 0.00 C ATOM 949 CD LYS A 65 -4.205 13.692 -6.252 1.00 0.00 C ATOM 950 CE LYS A 65 -2.839 14.164 -6.883 1.00 0.00 C ATOM 951 NZ LYS A 65 -2.290 15.381 -6.145 1.00 0.00 N ATOM 0 H LYS A 65 -6.652 9.387 -6.607 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.175 10.519 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.567 10.846 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.356 11.161 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.921 12.885 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.041 12.616 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.848 14.560 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.013 13.274 -5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.114 13.351 -6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.985 14.407 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.252 15.332 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.583 16.248 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.661 15.394 -5.173 1.00 0.00 H new ATOM 965 N CYS A 66 -3.226 8.869 -8.607 1.00 0.00 N ATOM 966 CA CYS A 66 -2.310 7.714 -8.732 1.00 0.00 C ATOM 967 C CYS A 66 -0.950 8.097 -8.088 1.00 0.00 C ATOM 968 O CYS A 66 -0.649 9.230 -7.755 1.00 0.00 O ATOM 969 CB CYS A 66 -2.262 7.393 -10.248 1.00 0.00 C ATOM 970 SG CYS A 66 -3.743 6.535 -10.859 1.00 0.00 S ATOM 0 H CYS A 66 -2.902 9.710 -9.085 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.626 6.813 -8.206 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.136 8.322 -10.804 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.386 6.778 -10.453 1.00 0.00 H new ATOM 975 N LEU A 67 -0.135 7.106 -7.916 1.00 0.00 N ATOM 976 CA LEU A 67 1.217 7.312 -7.293 1.00 0.00 C ATOM 977 C LEU A 67 2.331 6.800 -8.225 1.00 0.00 C ATOM 978 O LEU A 67 2.235 5.692 -8.716 1.00 0.00 O ATOM 979 CB LEU A 67 1.156 6.553 -5.924 1.00 0.00 C ATOM 980 CG LEU A 67 1.825 7.339 -4.778 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.598 6.586 -3.455 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.332 7.387 -4.993 1.00 0.00 C ATOM 0 H LEU A 67 -0.340 6.142 -8.180 1.00 0.00 H new ATOM 0 HA LEU A 67 1.454 8.364 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.115 6.359 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.644 5.584 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 67 1.401 8.343 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.068 7.135 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.528 6.499 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.037 5.591 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.798 7.944 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.729 6.372 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.549 7.880 -5.941 1.00 0.00 H new ATOM 994 N ARG A 68 3.356 7.577 -8.441 1.00 0.00 N ATOM 995 CA ARG A 68 4.449 7.104 -9.341 1.00 0.00 C ATOM 996 C ARG A 68 5.511 6.589 -8.367 1.00 0.00 C ATOM 997 O ARG A 68 5.895 7.288 -7.445 1.00 0.00 O ATOM 998 CB ARG A 68 4.950 8.297 -10.158 1.00 0.00 C ATOM 999 CG ARG A 68 6.218 7.904 -10.964 1.00 0.00 C ATOM 1000 CD ARG A 68 6.882 9.197 -11.416 1.00 0.00 C ATOM 1001 NE ARG A 68 8.106 8.816 -12.191 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.361 9.421 -13.284 1.00 0.00 C ATOM 1003 NH1 ARG A 68 7.660 9.154 -14.314 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.311 10.262 -13.248 1.00 0.00 N ATOM 0 H ARG A 68 3.485 8.506 -8.041 1.00 0.00 H new ATOM 0 HA ARG A 68 4.156 6.335 -10.055 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.168 8.634 -10.839 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.177 9.131 -9.494 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.899 7.317 -10.348 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.952 7.287 -11.823 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.202 9.784 -12.034 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.146 9.815 -10.558 1.00 0.00 H new ATOM 0 HE ARG A 68 8.727 8.083 -11.849 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.909 8.466 -14.256 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.850 9.628 -15.197 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.820 10.420 -12.378 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.566 10.780 -14.089 1.00 0.00 H new ATOM 1018 N VAL A 69 5.947 5.391 -8.619 1.00 0.00 N ATOM 1019 CA VAL A 69 6.971 4.720 -7.775 1.00 0.00 C ATOM 1020 C VAL A 69 8.144 4.413 -8.694 1.00 0.00 C ATOM 1021 O VAL A 69 7.971 3.815 -9.741 1.00 0.00 O ATOM 1022 CB VAL A 69 6.348 3.435 -7.198 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.336 2.750 -6.240 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.079 3.788 -6.410 1.00 0.00 C ATOM 0 H VAL A 69 5.623 4.828 -9.405 1.00 0.00 H new ATOM 0 HA VAL A 69 7.309 5.333 -6.939 1.00 0.00 H new ATOM 0 HB VAL A 69 6.109 2.765 -8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.884 1.843 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.247 2.493 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.578 3.428 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.639 2.878 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.334 4.465 -5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.362 4.272 -7.073 1.00 0.00 H new ATOM 1034 N THR A 70 9.292 4.845 -8.243 1.00 0.00 N ATOM 1035 CA THR A 70 10.584 4.655 -9.000 1.00 0.00 C ATOM 1036 C THR A 70 11.700 3.982 -8.173 1.00 0.00 C ATOM 1037 O THR A 70 11.828 4.231 -6.982 1.00 0.00 O ATOM 1038 CB THR A 70 11.086 6.029 -9.469 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.095 6.539 -10.357 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.353 5.871 -10.328 1.00 0.00 C ATOM 0 H THR A 70 9.399 5.337 -7.356 1.00 0.00 H new ATOM 0 HA THR A 70 10.363 3.989 -9.834 1.00 0.00 H new ATOM 0 HB THR A 70 11.283 6.661 -8.603 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.371 7.421 -10.684 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.697 6.853 -10.653 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.134 5.389 -9.739 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.127 5.259 -11.201 1.00 0.00 H new ATOM 1048 N ASN A 71 12.478 3.158 -8.843 1.00 0.00 N ATOM 1049 CA ASN A 71 13.624 2.406 -8.217 1.00 0.00 C ATOM 1050 C ASN A 71 15.048 2.835 -8.718 1.00 0.00 C ATOM 1051 O ASN A 71 15.616 2.174 -9.572 1.00 0.00 O ATOM 1052 CB ASN A 71 13.336 0.897 -8.504 1.00 0.00 C ATOM 1053 CG ASN A 71 14.430 0.004 -7.906 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.271 0.448 -7.165 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.518 -1.256 -8.148 1.00 0.00 N ATOM 0 H ASN A 71 12.361 2.968 -9.838 1.00 0.00 H new ATOM 0 HA ASN A 71 13.667 2.630 -7.151 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.368 0.622 -8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.276 0.733 -9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.264 -1.806 -7.722 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.842 -1.705 -8.766 1.00 0.00 H new ATOM 1062 N PRO A 72 15.609 3.913 -8.191 1.00 0.00 N ATOM 1063 CA PRO A 72 16.885 4.510 -8.711 1.00 0.00 C ATOM 1064 C PRO A 72 17.924 3.420 -8.988 1.00 0.00 C ATOM 1065 O PRO A 72 18.573 3.424 -10.010 1.00 0.00 O ATOM 1066 CB PRO A 72 17.297 5.504 -7.625 1.00 0.00 C ATOM 1067 CG PRO A 72 15.934 5.987 -7.104 1.00 0.00 C ATOM 1068 CD PRO A 72 15.103 4.680 -7.013 1.00 0.00 C ATOM 0 HA PRO A 72 16.777 5.014 -9.672 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.889 5.031 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.894 6.323 -8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.024 6.475 -6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.477 6.708 -7.782 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.275 4.151 -6.076 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.032 4.871 -7.079 1.00 0.00 H new ATOM 1076 N ALA A 73 18.025 2.529 -8.032 1.00 0.00 N ATOM 1077 CA ALA A 73 18.965 1.364 -8.074 1.00 0.00 C ATOM 1078 C ALA A 73 19.141 0.805 -9.504 1.00 0.00 C ATOM 1079 O ALA A 73 20.207 0.368 -9.889 1.00 0.00 O ATOM 1080 CB ALA A 73 18.397 0.299 -7.121 1.00 0.00 C ATOM 0 H ALA A 73 17.464 2.566 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 73 19.961 1.676 -7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.051 -0.573 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.334 0.709 -6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.402 0.005 -7.455 1.00 0.00 H new ATOM 1086 N THR A 74 18.061 0.834 -10.238 1.00 0.00 N ATOM 1087 CA THR A 74 18.063 0.326 -11.656 1.00 0.00 C ATOM 1088 C THR A 74 17.492 1.331 -12.652 1.00 0.00 C ATOM 1089 O THR A 74 17.900 1.375 -13.796 1.00 0.00 O ATOM 1090 CB THR A 74 17.235 -0.942 -11.768 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.920 -0.516 -11.438 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.610 -1.926 -10.649 1.00 0.00 C ATOM 0 H THR A 74 17.161 1.192 -9.917 1.00 0.00 H new ATOM 0 HA THR A 74 19.109 0.143 -11.900 1.00 0.00 H new ATOM 0 HB THR A 74 17.363 -1.409 -12.745 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.272 -0.993 -11.997 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.008 -2.830 -10.743 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.666 -2.183 -10.730 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.422 -1.464 -9.680 1.00 0.00 H new ATOM 1100 N GLY A 75 16.547 2.095 -12.179 1.00 0.00 N ATOM 1101 CA GLY A 75 15.865 3.136 -13.015 1.00 0.00 C ATOM 1102 C GLY A 75 14.443 2.680 -13.337 1.00 0.00 C ATOM 1103 O GLY A 75 13.679 3.420 -13.919 1.00 0.00 O ATOM 0 H GLY A 75 16.206 2.043 -11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.842 4.087 -12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.423 3.300 -13.937 1.00 0.00 H new ATOM 1107 N ALA A 76 14.102 1.481 -12.955 1.00 0.00 N ATOM 1108 CA ALA A 76 12.723 0.970 -13.248 1.00 0.00 C ATOM 1109 C ALA A 76 11.626 1.739 -12.471 1.00 0.00 C ATOM 1110 O ALA A 76 11.793 2.069 -11.312 1.00 0.00 O ATOM 1111 CB ALA A 76 12.717 -0.520 -12.883 1.00 0.00 C ATOM 0 H ALA A 76 14.710 0.832 -12.455 1.00 0.00 H new ATOM 0 HA ALA A 76 12.489 1.121 -14.302 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.730 -0.939 -13.080 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.460 -1.045 -13.484 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.957 -0.637 -11.826 1.00 0.00 H new ATOM 1117 N GLN A 77 10.529 2.016 -13.123 1.00 0.00 N ATOM 1118 CA GLN A 77 9.418 2.753 -12.441 1.00 0.00 C ATOM 1119 C GLN A 77 8.027 2.317 -12.924 1.00 0.00 C ATOM 1120 O GLN A 77 7.852 1.842 -14.028 1.00 0.00 O ATOM 1121 CB GLN A 77 9.645 4.277 -12.674 1.00 0.00 C ATOM 1122 CG GLN A 77 9.914 4.605 -14.171 1.00 0.00 C ATOM 1123 CD GLN A 77 10.035 6.115 -14.359 1.00 0.00 C ATOM 1124 OE1 GLN A 77 10.872 6.796 -13.812 1.00 0.00 O ATOM 1125 NE2 GLN A 77 9.209 6.720 -15.140 1.00 0.00 N ATOM 0 H GLN A 77 10.351 1.766 -14.096 1.00 0.00 H new ATOM 0 HA GLN A 77 9.439 2.519 -11.377 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.770 4.830 -12.334 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.489 4.614 -12.072 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.830 4.114 -14.501 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.104 4.217 -14.789 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.484 6.190 -15.625 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.279 7.729 -15.274 1.00 0.00 H new ATOM 1134 N ILE A 78 7.077 2.498 -12.054 1.00 0.00 N ATOM 1135 CA ILE A 78 5.652 2.142 -12.338 1.00 0.00 C ATOM 1136 C ILE A 78 4.683 3.215 -11.782 1.00 0.00 C ATOM 1137 O ILE A 78 5.066 3.986 -10.923 1.00 0.00 O ATOM 1138 CB ILE A 78 5.461 0.755 -11.699 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.455 -0.081 -12.515 1.00 0.00 C ATOM 1140 CG2 ILE A 78 4.981 0.859 -10.234 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.131 -0.569 -13.826 1.00 0.00 C ATOM 0 H ILE A 78 7.230 2.891 -11.125 1.00 0.00 H new ATOM 0 HA ILE A 78 5.428 2.109 -13.404 1.00 0.00 H new ATOM 0 HB ILE A 78 6.433 0.261 -11.703 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.115 -0.935 -11.929 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.574 0.517 -12.748 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.858 -0.142 -9.819 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.719 1.407 -9.648 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.027 1.385 -10.200 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.420 -1.160 -14.404 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.449 0.292 -14.414 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.999 -1.182 -13.582 1.00 0.00 H new ATOM 1153 N THR A 79 3.468 3.242 -12.266 1.00 0.00 N ATOM 1154 CA THR A 79 2.441 4.247 -11.783 1.00 0.00 C ATOM 1155 C THR A 79 1.282 3.415 -11.240 1.00 0.00 C ATOM 1156 O THR A 79 0.660 2.687 -11.990 1.00 0.00 O ATOM 1157 CB THR A 79 1.927 5.114 -12.930 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.029 5.967 -13.218 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.886 6.132 -12.456 1.00 0.00 C ATOM 0 H THR A 79 3.128 2.605 -12.987 1.00 0.00 H new ATOM 0 HA THR A 79 2.877 4.914 -11.039 1.00 0.00 H new ATOM 0 HB THR A 79 1.531 4.474 -13.719 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.793 6.569 -13.954 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.547 6.728 -13.304 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.037 5.607 -12.019 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.332 6.787 -11.708 1.00 0.00 H new ATOM 1167 N ALA A 80 1.007 3.540 -9.980 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.107 2.742 -9.364 1.00 0.00 C ATOM 1169 C ALA A 80 -1.309 3.625 -8.999 1.00 0.00 C ATOM 1170 O ALA A 80 -1.195 4.829 -9.097 1.00 0.00 O ATOM 1171 CB ALA A 80 0.506 2.061 -8.145 1.00 0.00 C ATOM 0 H ALA A 80 1.501 4.160 -9.338 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.509 2.008 -10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.253 1.459 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.328 1.419 -8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.882 2.818 -7.456 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.408 3.044 -8.594 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.597 3.888 -8.230 1.00 0.00 C ATOM 1179 C ARG A 81 -3.550 4.101 -6.714 1.00 0.00 C ATOM 1180 O ARG A 81 -3.175 3.177 -6.027 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.902 3.129 -8.609 1.00 0.00 C ATOM 1182 CG ARG A 81 -6.093 4.125 -8.476 1.00 0.00 C ATOM 1183 CD ARG A 81 -7.470 3.483 -8.767 1.00 0.00 C ATOM 1184 NE ARG A 81 -7.808 2.543 -7.638 1.00 0.00 N ATOM 1185 CZ ARG A 81 -8.038 1.303 -7.833 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -7.115 0.568 -8.295 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -9.186 0.845 -7.560 1.00 0.00 N ATOM 0 H ARG A 81 -2.539 2.037 -8.499 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.580 4.841 -8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.838 2.745 -9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.048 2.271 -7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.100 4.538 -7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.938 4.958 -9.161 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.235 4.254 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.444 2.944 -9.714 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.854 2.910 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.201 0.969 -8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.286 -0.425 -8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.908 1.464 -7.191 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.389 -0.143 -7.709 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.918 5.245 -6.200 1.00 0.00 N ATOM 1202 CA ILE A 82 -3.887 5.475 -4.706 1.00 0.00 C ATOM 1203 C ILE A 82 -5.259 4.976 -4.232 1.00 0.00 C ATOM 1204 O ILE A 82 -6.256 5.523 -4.658 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.739 7.000 -4.391 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.339 7.470 -4.885 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -3.917 7.211 -2.851 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.036 8.926 -4.479 1.00 0.00 C ATOM 0 H ILE A 82 -4.243 6.042 -6.747 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.053 4.969 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.498 7.592 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.572 6.813 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.289 7.379 -5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.816 8.270 -2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.905 6.864 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.154 6.646 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.049 9.208 -4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.787 9.588 -4.911 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.058 9.013 -3.393 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.362 3.972 -3.398 1.00 0.00 N ATOM 1221 CA VAL A 83 -6.756 3.557 -2.994 1.00 0.00 C ATOM 1222 C VAL A 83 -6.961 2.798 -1.676 1.00 0.00 C ATOM 1223 O VAL A 83 -7.946 2.976 -0.989 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.306 2.724 -4.167 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -6.427 1.478 -4.375 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.769 2.293 -3.937 1.00 0.00 C ATOM 0 H VAL A 83 -4.591 3.441 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.285 4.487 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.283 3.353 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.819 0.891 -5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.406 1.786 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.433 0.873 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.114 1.708 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.832 1.688 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.396 3.178 -3.826 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.024 1.976 -1.336 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.127 1.161 -0.082 1.00 0.00 C ATOM 1238 C ASP A 84 -5.515 1.820 1.187 1.00 0.00 C ATOM 1239 O ASP A 84 -4.969 2.908 1.171 1.00 0.00 O ATOM 1240 CB ASP A 84 -5.448 -0.181 -0.524 1.00 0.00 C ATOM 1241 CG ASP A 84 -5.429 -1.289 0.523 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -6.367 -1.295 1.297 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -4.490 -2.060 0.485 1.00 0.00 O ATOM 0 H ASP A 84 -5.172 1.823 -1.875 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.153 1.034 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.963 -0.553 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.421 0.033 -0.819 1.00 0.00 H new ATOM 1248 N GLN A 85 -5.640 1.126 2.277 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.110 1.585 3.584 1.00 0.00 C ATOM 1250 C GLN A 85 -4.222 0.458 4.095 1.00 0.00 C ATOM 1251 O GLN A 85 -4.542 -0.704 3.942 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.315 1.867 4.503 1.00 0.00 C ATOM 1253 CG GLN A 85 -6.466 3.415 4.504 1.00 0.00 C ATOM 1254 CD GLN A 85 -5.373 4.008 5.392 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -4.228 3.615 5.404 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -5.676 4.981 6.179 1.00 0.00 N ATOM 0 H GLN A 85 -6.108 0.221 2.316 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.522 2.501 3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.218 1.383 4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.141 1.487 5.510 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.383 3.804 3.489 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.451 3.699 4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.630 5.342 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.962 5.391 6.782 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.121 0.785 4.715 1.00 0.00 N ATOM 1266 CA CYS A 86 -2.243 -0.331 5.202 1.00 0.00 C ATOM 1267 C CYS A 86 -2.309 -0.470 6.738 1.00 0.00 C ATOM 1268 O CYS A 86 -2.978 0.275 7.431 1.00 0.00 O ATOM 1269 CB CYS A 86 -0.786 -0.046 4.718 1.00 0.00 C ATOM 1270 SG CYS A 86 0.345 0.612 5.962 1.00 0.00 S ATOM 0 H CYS A 86 -2.796 1.733 4.903 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.590 -1.280 4.793 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.366 -0.973 4.327 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.831 0.658 3.887 1.00 0.00 H new ATOM 1275 N ALA A 87 -1.591 -1.448 7.212 1.00 0.00 N ATOM 1276 CA ALA A 87 -1.531 -1.738 8.678 1.00 0.00 C ATOM 1277 C ALA A 87 -0.112 -1.521 9.246 1.00 0.00 C ATOM 1278 O ALA A 87 0.107 -0.651 10.064 1.00 0.00 O ATOM 1279 CB ALA A 87 -2.021 -3.194 8.839 1.00 0.00 C ATOM 0 H ALA A 87 -1.030 -2.074 6.635 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.161 -1.056 9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.001 -3.470 9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.040 -3.279 8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.368 -3.862 8.277 1.00 0.00 H new ATOM 1285 N ASN A 88 0.815 -2.323 8.802 1.00 0.00 N ATOM 1286 CA ASN A 88 2.236 -2.212 9.274 1.00 0.00 C ATOM 1287 C ASN A 88 3.254 -2.202 8.111 1.00 0.00 C ATOM 1288 O ASN A 88 4.043 -1.291 7.970 1.00 0.00 O ATOM 1289 CB ASN A 88 2.466 -3.406 10.240 1.00 0.00 C ATOM 1290 CG ASN A 88 2.245 -4.714 9.492 1.00 0.00 C ATOM 1291 OD1 ASN A 88 1.180 -5.001 8.997 1.00 0.00 O ATOM 1292 ND2 ASN A 88 3.202 -5.562 9.351 1.00 0.00 N ATOM 0 H ASN A 88 0.651 -3.065 8.121 1.00 0.00 H new ATOM 0 HA ASN A 88 2.395 -1.260 9.780 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.478 -3.372 10.643 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.783 -3.339 11.087 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.043 -6.430 8.840 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.120 -5.366 9.750 1.00 0.00 H new ATOM 1299 N GLY A 89 3.195 -3.241 7.316 1.00 0.00 N ATOM 1300 CA GLY A 89 4.095 -3.430 6.127 1.00 0.00 C ATOM 1301 C GLY A 89 3.215 -3.805 4.935 1.00 0.00 C ATOM 1302 O GLY A 89 2.397 -4.694 5.047 1.00 0.00 O ATOM 0 H GLY A 89 2.529 -4.003 7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.652 -2.516 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.828 -4.212 6.323 1.00 0.00 H new ATOM 1306 N GLY A 90 3.400 -3.141 3.833 1.00 0.00 N ATOM 1307 CA GLY A 90 2.588 -3.419 2.601 1.00 0.00 C ATOM 1308 C GLY A 90 2.071 -2.134 1.974 1.00 0.00 C ATOM 1309 O GLY A 90 1.015 -1.634 2.304 1.00 0.00 O ATOM 0 H GLY A 90 4.092 -2.400 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.197 -3.959 1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.748 -4.065 2.856 1.00 0.00 H new ATOM 1313 N LEU A 91 2.871 -1.627 1.070 1.00 0.00 N ATOM 1314 CA LEU A 91 2.512 -0.368 0.357 1.00 0.00 C ATOM 1315 C LEU A 91 1.436 -0.596 -0.707 1.00 0.00 C ATOM 1316 O LEU A 91 0.658 0.301 -0.925 1.00 0.00 O ATOM 1317 CB LEU A 91 3.830 0.218 -0.253 1.00 0.00 C ATOM 1318 CG LEU A 91 3.640 1.695 -0.712 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.496 2.639 0.506 1.00 0.00 C ATOM 1320 CD2 LEU A 91 4.878 2.138 -1.509 1.00 0.00 C ATOM 0 H LEU A 91 3.764 -2.036 0.795 1.00 0.00 H new ATOM 0 HA LEU A 91 2.075 0.345 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.629 0.166 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.141 -0.391 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 91 2.738 1.749 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.365 3.664 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.629 2.342 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.393 2.577 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.752 3.171 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.763 2.062 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.998 1.496 -2.382 1.00 0.00 H new ATOM 1332 N ASP A 92 1.407 -1.736 -1.329 1.00 0.00 N ATOM 1333 CA ASP A 92 0.400 -2.095 -2.389 1.00 0.00 C ATOM 1334 C ASP A 92 -0.117 -3.558 -2.226 1.00 0.00 C ATOM 1335 O ASP A 92 0.390 -4.293 -1.393 1.00 0.00 O ATOM 1336 CB ASP A 92 1.113 -1.914 -3.747 1.00 0.00 C ATOM 1337 CG ASP A 92 2.058 -3.098 -3.964 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.556 -4.126 -4.416 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.222 -2.895 -3.648 1.00 0.00 O ATOM 0 H ASP A 92 2.076 -2.483 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.479 -1.455 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.382 -1.861 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.671 -0.978 -3.760 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.110 -3.928 -3.008 1.00 0.00 N ATOM 1345 CA LEU A 93 -1.624 -5.349 -2.904 1.00 0.00 C ATOM 1346 C LEU A 93 -1.847 -5.942 -4.320 1.00 0.00 C ATOM 1347 O LEU A 93 -2.758 -6.702 -4.602 1.00 0.00 O ATOM 1348 CB LEU A 93 -2.946 -5.367 -2.012 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.204 -4.608 -2.504 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -5.243 -4.659 -1.369 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -3.878 -3.160 -2.838 1.00 0.00 C ATOM 0 H LEU A 93 -1.577 -3.335 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.886 -5.983 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.229 -6.410 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.685 -4.968 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.586 -5.074 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.146 -4.133 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.486 -5.698 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.833 -4.182 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.780 -2.654 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.496 -2.659 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.124 -3.129 -3.625 1.00 0.00 H new ATOM 1363 N ASP A 94 -0.923 -5.527 -5.155 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.815 -5.889 -6.584 1.00 0.00 C ATOM 1365 C ASP A 94 0.027 -7.111 -6.672 1.00 0.00 C ATOM 1366 O ASP A 94 -0.267 -8.032 -7.394 1.00 0.00 O ATOM 1367 CB ASP A 94 -0.152 -4.779 -7.339 1.00 0.00 C ATOM 1368 CG ASP A 94 -1.218 -3.780 -7.644 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -2.062 -4.163 -8.440 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -1.129 -2.712 -7.079 1.00 0.00 O ATOM 0 H ASP A 94 -0.179 -4.895 -4.859 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.803 -6.062 -7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.644 -4.328 -6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.305 -5.152 -8.256 1.00 0.00 H new ATOM 1375 N TRP A 95 1.094 -7.036 -5.925 1.00 0.00 N ATOM 1376 CA TRP A 95 2.093 -8.131 -5.830 1.00 0.00 C ATOM 1377 C TRP A 95 2.951 -8.277 -7.088 1.00 0.00 C ATOM 1378 O TRP A 95 4.138 -8.007 -7.084 1.00 0.00 O ATOM 1379 CB TRP A 95 1.344 -9.471 -5.555 1.00 0.00 C ATOM 1380 CG TRP A 95 2.400 -10.566 -5.400 1.00 0.00 C ATOM 1381 CD1 TRP A 95 3.294 -10.609 -4.381 1.00 0.00 C ATOM 1382 CD2 TRP A 95 2.627 -11.598 -6.249 1.00 0.00 C ATOM 1383 NE1 TRP A 95 4.004 -11.672 -4.691 1.00 0.00 N ATOM 1384 CE2 TRP A 95 3.686 -12.327 -5.785 1.00 0.00 C ATOM 1385 CE3 TRP A 95 2.019 -12.002 -7.415 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 4.154 -13.433 -6.452 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 2.474 -13.111 -8.103 1.00 0.00 C ATOM 1388 CH2 TRP A 95 3.546 -13.827 -7.620 1.00 0.00 C ATOM 0 H TRP A 95 1.320 -6.222 -5.353 1.00 0.00 H new ATOM 0 HA TRP A 95 2.772 -7.881 -5.015 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.738 -9.393 -4.653 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.666 -9.706 -6.375 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.396 -9.944 -3.536 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.777 -11.978 -4.101 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.176 -11.446 -7.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.994 -13.989 -6.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.989 -13.416 -9.019 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.907 -14.693 -8.155 1.00 0.00 H new ATOM 1399 N ASP A 96 2.263 -8.685 -8.113 1.00 0.00 N ATOM 1400 CA ASP A 96 2.896 -8.922 -9.447 1.00 0.00 C ATOM 1401 C ASP A 96 2.884 -7.679 -10.337 1.00 0.00 C ATOM 1402 O ASP A 96 3.705 -7.559 -11.233 1.00 0.00 O ATOM 1403 CB ASP A 96 2.135 -10.088 -10.088 1.00 0.00 C ATOM 1404 CG ASP A 96 0.670 -9.734 -10.195 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -0.020 -10.029 -9.242 1.00 0.00 O ATOM 1406 OD2 ASP A 96 0.354 -9.175 -11.227 1.00 0.00 O ATOM 0 H ASP A 96 1.260 -8.871 -8.086 1.00 0.00 H new ATOM 0 HA ASP A 96 3.952 -9.162 -9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.542 -10.302 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.259 -10.990 -9.490 1.00 0.00 H new ATOM 1411 N THR A 97 1.955 -6.802 -10.078 1.00 0.00 N ATOM 1412 CA THR A 97 1.871 -5.546 -10.897 1.00 0.00 C ATOM 1413 C THR A 97 2.749 -4.418 -10.272 1.00 0.00 C ATOM 1414 O THR A 97 3.411 -3.728 -11.028 1.00 0.00 O ATOM 1415 CB THR A 97 0.362 -5.104 -11.023 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.194 -4.024 -10.153 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.639 -6.159 -10.504 1.00 0.00 C ATOM 0 H THR A 97 1.253 -6.893 -9.343 1.00 0.00 H new ATOM 0 HA THR A 97 2.261 -5.739 -11.896 1.00 0.00 H new ATOM 0 HB THR A 97 0.171 -4.911 -12.079 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.733 -3.710 -10.196 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.656 -5.785 -10.623 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.523 -7.082 -11.073 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.446 -6.356 -9.450 1.00 0.00 H new ATOM 1425 N VAL A 98 2.761 -4.240 -8.963 1.00 0.00 N ATOM 1426 CA VAL A 98 3.625 -3.149 -8.398 1.00 0.00 C ATOM 1427 C VAL A 98 5.056 -3.557 -8.046 1.00 0.00 C ATOM 1428 O VAL A 98 5.977 -3.185 -8.750 1.00 0.00 O ATOM 1429 CB VAL A 98 2.989 -2.559 -7.108 1.00 0.00 C ATOM 1430 CG1 VAL A 98 3.987 -1.570 -6.416 1.00 0.00 C ATOM 1431 CG2 VAL A 98 1.773 -1.732 -7.490 1.00 0.00 C ATOM 0 H VAL A 98 2.228 -4.784 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 98 3.682 -2.422 -9.208 1.00 0.00 H new ATOM 0 HB VAL A 98 2.734 -3.385 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.530 -1.164 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.901 -2.101 -6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.226 -0.756 -7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.320 -1.314 -6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.077 -0.922 -8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.048 -2.366 -8.000 1.00 0.00 H new ATOM 1441 N PHE A 99 5.202 -4.318 -6.987 1.00 0.00 N ATOM 1442 CA PHE A 99 6.569 -4.757 -6.529 1.00 0.00 C ATOM 1443 C PHE A 99 7.538 -5.494 -7.485 1.00 0.00 C ATOM 1444 O PHE A 99 8.384 -4.848 -8.065 1.00 0.00 O ATOM 1445 CB PHE A 99 6.333 -5.598 -5.236 1.00 0.00 C ATOM 1446 CG PHE A 99 7.670 -5.823 -4.484 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.389 -4.726 -4.031 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.170 -7.090 -4.232 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.580 -4.881 -3.339 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.363 -7.244 -3.541 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.066 -6.139 -3.095 1.00 0.00 C ATOM 0 H PHE A 99 4.430 -4.658 -6.413 1.00 0.00 H new ATOM 0 HA PHE A 99 7.125 -3.827 -6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.625 -5.085 -4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.889 -6.559 -5.496 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.013 -3.732 -4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.630 -7.960 -4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.123 -4.014 -2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.746 -8.235 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.994 -6.267 -2.557 1.00 0.00 H new ATOM 1461 N THR A 100 7.435 -6.785 -7.675 1.00 0.00 N ATOM 1462 CA THR A 100 8.408 -7.499 -8.610 1.00 0.00 C ATOM 1463 C THR A 100 8.779 -6.703 -9.882 1.00 0.00 C ATOM 1464 O THR A 100 9.903 -6.658 -10.332 1.00 0.00 O ATOM 1465 CB THR A 100 7.843 -8.901 -9.098 1.00 0.00 C ATOM 1466 OG1 THR A 100 7.451 -8.724 -10.454 1.00 0.00 O ATOM 1467 CG2 THR A 100 6.488 -9.293 -8.488 1.00 0.00 C ATOM 0 H THR A 100 6.735 -7.384 -7.237 1.00 0.00 H new ATOM 0 HA THR A 100 9.301 -7.618 -7.996 1.00 0.00 H new ATOM 0 HB THR A 100 8.618 -9.628 -8.857 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.095 -9.567 -10.804 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.181 -10.263 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.580 -9.350 -7.403 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.741 -8.544 -8.749 1.00 0.00 H new ATOM 1475 N LYS A 101 7.783 -6.062 -10.424 1.00 0.00 N ATOM 1476 CA LYS A 101 7.922 -5.258 -11.656 1.00 0.00 C ATOM 1477 C LYS A 101 9.095 -4.291 -11.675 1.00 0.00 C ATOM 1478 O LYS A 101 9.720 -4.112 -12.700 1.00 0.00 O ATOM 1479 CB LYS A 101 6.567 -4.543 -11.842 1.00 0.00 C ATOM 1480 CG LYS A 101 5.567 -5.548 -12.458 1.00 0.00 C ATOM 1481 CD LYS A 101 5.732 -5.503 -14.013 1.00 0.00 C ATOM 1482 CE LYS A 101 4.814 -6.539 -14.641 1.00 0.00 C ATOM 1483 NZ LYS A 101 5.383 -7.886 -14.320 1.00 0.00 N ATOM 0 H LYS A 101 6.838 -6.067 -10.040 1.00 0.00 H new ATOM 0 HA LYS A 101 8.161 -5.919 -12.490 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.196 -4.177 -10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.682 -3.675 -12.492 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.758 -6.554 -12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.546 -5.291 -12.176 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.489 -4.509 -14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.768 -5.703 -14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.802 -6.445 -14.248 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.752 -6.395 -15.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.046 -8.580 -15.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.422 -7.840 -14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.077 -8.174 -13.369 1.00 0.00 H new ATOM 1497 N ILE A 102 9.363 -3.706 -10.551 1.00 0.00 N ATOM 1498 CA ILE A 102 10.509 -2.731 -10.525 1.00 0.00 C ATOM 1499 C ILE A 102 11.852 -3.404 -10.172 1.00 0.00 C ATOM 1500 O ILE A 102 12.797 -2.715 -9.814 1.00 0.00 O ATOM 1501 CB ILE A 102 10.119 -1.579 -9.508 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.855 -2.122 -8.070 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.818 -0.912 -10.045 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.450 -0.995 -7.088 1.00 0.00 C ATOM 0 H ILE A 102 8.867 -3.843 -9.671 1.00 0.00 H new ATOM 0 HA ILE A 102 10.669 -2.314 -11.519 1.00 0.00 H new ATOM 0 HB ILE A 102 10.947 -0.873 -9.438 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.065 -2.873 -8.106 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.752 -2.620 -7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.515 -0.111 -9.371 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.003 -0.501 -11.037 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.024 -1.657 -10.103 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.276 -1.419 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.250 -0.257 -7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.538 -0.514 -7.442 1.00 0.00 H new ATOM 1516 N ASP A 103 11.883 -4.706 -10.301 1.00 0.00 N ATOM 1517 CA ASP A 103 13.101 -5.493 -9.990 1.00 0.00 C ATOM 1518 C ASP A 103 13.697 -6.227 -11.230 1.00 0.00 C ATOM 1519 O ASP A 103 13.500 -7.408 -11.455 1.00 0.00 O ATOM 1520 CB ASP A 103 12.598 -6.394 -8.852 1.00 0.00 C ATOM 1521 CG ASP A 103 13.727 -6.797 -7.945 1.00 0.00 C ATOM 1522 OD1 ASP A 103 14.854 -6.928 -8.397 1.00 0.00 O ATOM 1523 OD2 ASP A 103 13.391 -6.963 -6.797 1.00 0.00 O ATOM 0 H ASP A 103 11.091 -5.265 -10.618 1.00 0.00 H new ATOM 0 HA ASP A 103 13.965 -4.899 -9.692 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.835 -5.869 -8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.127 -7.284 -9.269 1.00 0.00 H new ATOM 1528 N THR A 104 14.418 -5.454 -12.017 1.00 0.00 N ATOM 1529 CA THR A 104 15.091 -5.963 -13.278 1.00 0.00 C ATOM 1530 C THR A 104 15.587 -7.416 -13.192 1.00 0.00 C ATOM 1531 O THR A 104 15.555 -8.132 -14.170 1.00 0.00 O ATOM 1532 CB THR A 104 16.306 -5.021 -13.681 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.447 -4.024 -12.680 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.906 -4.162 -14.880 1.00 0.00 C ATOM 0 H THR A 104 14.576 -4.462 -11.837 1.00 0.00 H new ATOM 0 HA THR A 104 14.314 -5.943 -14.043 1.00 0.00 H new ATOM 0 HB THR A 104 17.179 -5.653 -13.845 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.349 -3.643 -12.723 1.00 0.00 H new ATOM 0 HG21 THR A 104 16.738 -3.515 -15.158 1.00 0.00 H new ATOM 0 HG22 THR A 104 15.651 -4.807 -15.721 1.00 0.00 H new ATOM 0 HG23 THR A 104 15.043 -3.550 -14.618 1.00 0.00 H new ATOM 1542 N ASN A 105 16.051 -7.823 -12.047 1.00 0.00 N ATOM 1543 CA ASN A 105 16.550 -9.237 -11.862 1.00 0.00 C ATOM 1544 C ASN A 105 15.604 -9.956 -10.879 1.00 0.00 C ATOM 1545 O ASN A 105 15.307 -11.120 -11.063 1.00 0.00 O ATOM 1546 CB ASN A 105 18.024 -9.207 -11.319 1.00 0.00 C ATOM 1547 CG ASN A 105 18.296 -7.862 -10.682 1.00 0.00 C ATOM 1548 OD1 ASN A 105 17.519 -7.382 -9.894 1.00 0.00 O ATOM 1549 ND2 ASN A 105 19.365 -7.191 -10.970 1.00 0.00 N ATOM 0 H ASN A 105 16.112 -7.239 -11.213 1.00 0.00 H new ATOM 0 HA ASN A 105 16.556 -9.775 -12.810 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.171 -10.004 -10.590 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.727 -9.386 -12.133 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.531 -6.284 -10.534 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.042 -7.570 -11.633 1.00 0.00 H new ATOM 1556 N GLY A 106 15.170 -9.262 -9.861 1.00 0.00 N ATOM 1557 CA GLY A 106 14.234 -9.867 -8.850 1.00 0.00 C ATOM 1558 C GLY A 106 14.900 -10.144 -7.518 1.00 0.00 C ATOM 1559 O GLY A 106 14.752 -11.214 -6.968 1.00 0.00 O ATOM 0 H GLY A 106 15.423 -8.291 -9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.391 -9.194 -8.695 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.830 -10.798 -9.248 1.00 0.00 H new ATOM 1563 N ILE A 107 15.616 -9.180 -7.015 1.00 0.00 N ATOM 1564 CA ILE A 107 16.330 -9.293 -5.724 1.00 0.00 C ATOM 1565 C ILE A 107 15.408 -8.954 -4.545 1.00 0.00 C ATOM 1566 O ILE A 107 15.389 -9.647 -3.546 1.00 0.00 O ATOM 1567 CB ILE A 107 17.550 -8.332 -5.763 1.00 0.00 C ATOM 1568 CG1 ILE A 107 18.529 -8.669 -6.941 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.299 -8.367 -4.402 1.00 0.00 C ATOM 1570 CD1 ILE A 107 18.991 -10.152 -6.912 1.00 0.00 C ATOM 0 H ILE A 107 15.737 -8.277 -7.473 1.00 0.00 H new ATOM 0 HA ILE A 107 16.664 -10.320 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 107 17.172 -7.325 -5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.037 -8.462 -7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.401 -8.017 -6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.153 -7.690 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.623 -8.055 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 107 18.648 -9.381 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 107 19.667 -10.339 -7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 107 19.508 -10.354 -5.974 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.123 -10.805 -6.996 1.00 0.00 H new ATOM 1582 N GLY A 108 14.688 -7.877 -4.741 1.00 0.00 N ATOM 1583 CA GLY A 108 13.689 -7.293 -3.767 1.00 0.00 C ATOM 1584 C GLY A 108 13.239 -8.258 -2.692 1.00 0.00 C ATOM 1585 O GLY A 108 13.304 -7.963 -1.519 1.00 0.00 O ATOM 0 H GLY A 108 14.755 -7.335 -5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.130 -6.417 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.815 -6.950 -4.321 1.00 0.00 H new ATOM 1589 N TYR A 109 12.774 -9.380 -3.163 1.00 0.00 N ATOM 1590 CA TYR A 109 12.284 -10.487 -2.282 1.00 0.00 C ATOM 1591 C TYR A 109 13.088 -10.588 -0.944 1.00 0.00 C ATOM 1592 O TYR A 109 12.537 -10.756 0.126 1.00 0.00 O ATOM 1593 CB TYR A 109 12.401 -11.769 -3.128 1.00 0.00 C ATOM 1594 CG TYR A 109 11.799 -12.948 -2.353 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.440 -13.182 -2.369 1.00 0.00 C ATOM 1596 CD2 TYR A 109 12.611 -13.785 -1.615 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.903 -14.237 -1.656 1.00 0.00 C ATOM 1598 CE2 TYR A 109 12.068 -14.837 -0.906 1.00 0.00 C ATOM 1599 CZ TYR A 109 10.715 -15.065 -0.922 1.00 0.00 C ATOM 1600 OH TYR A 109 10.177 -16.108 -0.206 1.00 0.00 O ATOM 0 H TYR A 109 12.710 -9.586 -4.160 1.00 0.00 H new ATOM 0 HA TYR A 109 11.256 -10.311 -1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.881 -11.640 -4.077 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.447 -11.969 -3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.791 -12.537 -2.942 1.00 0.00 H new ATOM 0 HD2 TYR A 109 13.677 -13.616 -1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.837 -14.411 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.714 -15.487 -0.334 1.00 0.00 H new ATOM 0 HH TYR A 109 10.894 -16.593 0.255 1.00 0.00 H new ATOM 1610 N GLN A 110 14.389 -10.471 -1.069 1.00 0.00 N ATOM 1611 CA GLN A 110 15.337 -10.548 0.093 1.00 0.00 C ATOM 1612 C GLN A 110 15.427 -9.188 0.823 1.00 0.00 C ATOM 1613 O GLN A 110 16.048 -8.275 0.309 1.00 0.00 O ATOM 1614 CB GLN A 110 16.751 -10.932 -0.415 1.00 0.00 C ATOM 1615 CG GLN A 110 16.767 -12.281 -1.186 1.00 0.00 C ATOM 1616 CD GLN A 110 18.176 -12.542 -1.750 1.00 0.00 C ATOM 1617 OE1 GLN A 110 19.166 -12.554 -1.050 1.00 0.00 O ATOM 1618 NE2 GLN A 110 18.336 -12.757 -3.018 1.00 0.00 N ATOM 0 H GLN A 110 14.852 -10.319 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 110 14.964 -11.301 0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.125 -10.142 -1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.432 -10.995 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.475 -13.094 -0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.039 -12.256 -1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 110 17.529 -12.755 -3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.269 -12.928 -3.393 1.00 0.00 H new ATOM 1627 N GLN A 111 14.805 -9.155 1.980 1.00 0.00 N ATOM 1628 CA GLN A 111 14.717 -7.966 2.915 1.00 0.00 C ATOM 1629 C GLN A 111 13.280 -7.418 2.719 1.00 0.00 C ATOM 1630 O GLN A 111 12.980 -6.796 1.723 1.00 0.00 O ATOM 1631 CB GLN A 111 15.787 -6.826 2.569 1.00 0.00 C ATOM 1632 CG GLN A 111 17.269 -7.386 2.648 1.00 0.00 C ATOM 1633 CD GLN A 111 18.270 -6.415 2.022 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.927 -5.625 2.663 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.420 -6.442 0.741 1.00 0.00 N ATOM 0 H GLN A 111 14.314 -9.971 2.346 1.00 0.00 H new ATOM 0 HA GLN A 111 14.931 -8.266 3.941 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.596 -6.436 1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.673 -5.994 3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.536 -7.564 3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.324 -8.347 2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.879 -7.098 0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.080 -5.807 0.291 1.00 0.00 H new ATOM 1644 N GLY A 112 12.431 -7.684 3.691 1.00 0.00 N ATOM 1645 CA GLY A 112 10.971 -7.261 3.725 1.00 0.00 C ATOM 1646 C GLY A 112 10.651 -6.010 2.950 1.00 0.00 C ATOM 1647 O GLY A 112 9.611 -5.838 2.333 1.00 0.00 O ATOM 0 H GLY A 112 12.706 -8.212 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.363 -8.077 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.676 -7.112 4.764 1.00 0.00 H new ATOM 1651 N HIS A 113 11.629 -5.179 3.082 1.00 0.00 N ATOM 1652 CA HIS A 113 11.633 -3.839 2.445 1.00 0.00 C ATOM 1653 C HIS A 113 12.999 -3.398 1.846 1.00 0.00 C ATOM 1654 O HIS A 113 14.057 -3.798 2.291 1.00 0.00 O ATOM 1655 CB HIS A 113 11.134 -2.857 3.560 1.00 0.00 C ATOM 1656 CG HIS A 113 10.791 -3.480 4.942 1.00 0.00 C ATOM 1657 ND1 HIS A 113 9.835 -4.299 5.216 1.00 0.00 N ATOM 1658 CD2 HIS A 113 11.404 -3.285 6.154 1.00 0.00 C ATOM 1659 CE1 HIS A 113 9.856 -4.581 6.492 1.00 0.00 C ATOM 1660 NE2 HIS A 113 10.823 -3.967 7.114 1.00 0.00 N ATOM 0 H HIS A 113 12.466 -5.379 3.630 1.00 0.00 H new ATOM 0 HA HIS A 113 10.986 -3.847 1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.901 -2.097 3.711 1.00 0.00 H new ATOM 0 HB3 HIS A 113 10.246 -2.345 3.189 1.00 0.00 H new ATOM 0 HD2 HIS A 113 12.262 -2.646 6.301 1.00 0.00 H new ATOM 0 HE1 HIS A 113 9.154 -5.245 6.975 1.00 0.00 H new ATOM 0 HE2 HIS A 113 11.068 -4.007 8.103 1.00 0.00 H new ATOM 1668 N LEU A 114 12.902 -2.574 0.831 1.00 0.00 N ATOM 1669 CA LEU A 114 14.093 -2.000 0.083 1.00 0.00 C ATOM 1670 C LEU A 114 14.017 -0.450 -0.007 1.00 0.00 C ATOM 1671 O LEU A 114 13.120 0.160 0.548 1.00 0.00 O ATOM 1672 CB LEU A 114 14.139 -2.640 -1.344 1.00 0.00 C ATOM 1673 CG LEU A 114 13.134 -2.031 -2.354 1.00 0.00 C ATOM 1674 CD1 LEU A 114 13.183 -2.861 -3.645 1.00 0.00 C ATOM 1675 CD2 LEU A 114 11.702 -2.076 -1.798 1.00 0.00 C ATOM 0 H LEU A 114 12.005 -2.254 0.465 1.00 0.00 H new ATOM 0 HA LEU A 114 15.007 -2.239 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 114 15.147 -2.533 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 114 13.943 -3.709 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 114 13.405 -0.992 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 114 12.482 -2.448 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 114 14.191 -2.832 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 114 12.911 -3.893 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 114 11.015 -1.643 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 114 11.419 -3.111 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.654 -1.506 -0.870 1.00 0.00 H new ATOM 1687 N ASN A 115 14.938 0.161 -0.709 1.00 0.00 N ATOM 1688 CA ASN A 115 14.933 1.663 -0.833 1.00 0.00 C ATOM 1689 C ASN A 115 14.463 2.224 -2.214 1.00 0.00 C ATOM 1690 O ASN A 115 15.112 2.080 -3.236 1.00 0.00 O ATOM 1691 CB ASN A 115 16.367 2.079 -0.478 1.00 0.00 C ATOM 1692 CG ASN A 115 16.512 3.578 -0.375 1.00 0.00 C ATOM 1693 OD1 ASN A 115 17.184 4.193 -1.165 1.00 0.00 O ATOM 1694 ND2 ASN A 115 15.922 4.237 0.558 1.00 0.00 N ATOM 0 H ASN A 115 15.696 -0.310 -1.204 1.00 0.00 H new ATOM 0 HA ASN A 115 14.187 2.093 -0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.653 1.621 0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 115 17.053 1.700 -1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.030 5.250 0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.346 3.747 1.243 1.00 0.00 H new ATOM 1701 N VAL A 116 13.308 2.847 -2.161 1.00 0.00 N ATOM 1702 CA VAL A 116 12.654 3.468 -3.367 1.00 0.00 C ATOM 1703 C VAL A 116 12.237 4.953 -3.172 1.00 0.00 C ATOM 1704 O VAL A 116 12.325 5.520 -2.092 1.00 0.00 O ATOM 1705 CB VAL A 116 11.364 2.650 -3.756 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.640 1.132 -3.785 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.199 2.919 -2.751 1.00 0.00 C ATOM 0 H VAL A 116 12.771 2.956 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 116 13.409 3.440 -4.153 1.00 0.00 H new ATOM 0 HB VAL A 116 11.076 2.985 -4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.728 0.601 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.417 0.917 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.971 0.803 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.323 2.341 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.508 2.624 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.952 3.981 -2.756 1.00 0.00 H new ATOM 1717 N ASN A 117 11.780 5.504 -4.273 1.00 0.00 N ATOM 1718 CA ASN A 117 11.305 6.932 -4.335 1.00 0.00 C ATOM 1719 C ASN A 117 9.885 7.024 -4.924 1.00 0.00 C ATOM 1720 O ASN A 117 9.533 6.206 -5.757 1.00 0.00 O ATOM 1721 CB ASN A 117 12.294 7.689 -5.199 1.00 0.00 C ATOM 1722 CG ASN A 117 13.558 7.737 -4.402 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.736 8.542 -3.528 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.490 6.893 -4.638 1.00 0.00 N ATOM 0 H ASN A 117 11.713 5.008 -5.162 1.00 0.00 H new ATOM 0 HA ASN A 117 11.255 7.359 -3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.449 7.185 -6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.932 8.692 -5.424 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.351 6.917 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.372 6.196 -5.373 1.00 0.00 H new ATOM 1731 N TYR A 118 9.104 7.991 -4.503 1.00 0.00 N ATOM 1732 CA TYR A 118 7.729 8.084 -5.080 1.00 0.00 C ATOM 1733 C TYR A 118 7.156 9.502 -5.031 1.00 0.00 C ATOM 1734 O TYR A 118 7.455 10.324 -4.180 1.00 0.00 O ATOM 1735 CB TYR A 118 6.826 7.096 -4.328 1.00 0.00 C ATOM 1736 CG TYR A 118 6.512 7.523 -2.889 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.683 8.605 -2.606 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.055 6.801 -1.850 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.411 8.940 -1.297 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.774 7.149 -0.548 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.957 8.210 -0.271 1.00 0.00 C ATOM 1742 OH TYR A 118 5.687 8.532 1.036 1.00 0.00 O ATOM 0 H TYR A 118 9.349 8.697 -3.809 1.00 0.00 H new ATOM 0 HA TYR A 118 7.778 7.827 -6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.891 6.982 -4.876 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.307 6.118 -4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.253 9.182 -3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.702 5.961 -2.057 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.767 9.779 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.203 6.579 0.263 1.00 0.00 H new ATOM 0 HH TYR A 118 6.156 7.909 1.630 1.00 0.00 H new ATOM 1752 N GLN A 119 6.303 9.748 -5.977 1.00 0.00 N ATOM 1753 CA GLN A 119 5.653 11.085 -6.093 1.00 0.00 C ATOM 1754 C GLN A 119 4.139 10.938 -6.397 1.00 0.00 C ATOM 1755 O GLN A 119 3.754 10.003 -7.079 1.00 0.00 O ATOM 1756 CB GLN A 119 6.421 11.862 -7.243 1.00 0.00 C ATOM 1757 CG GLN A 119 7.797 11.160 -7.729 1.00 0.00 C ATOM 1758 CD GLN A 119 8.972 11.079 -6.716 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.932 10.360 -6.917 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.980 11.772 -5.620 1.00 0.00 N ATOM 0 H GLN A 119 6.021 9.073 -6.688 1.00 0.00 H new ATOM 0 HA GLN A 119 5.715 11.641 -5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.757 11.962 -8.102 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.646 12.870 -6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.560 10.145 -8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.152 11.695 -8.610 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.199 12.391 -5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.767 11.698 -4.975 1.00 0.00 H new ATOM 1769 N PHE A 120 3.313 11.836 -5.899 1.00 0.00 N ATOM 1770 CA PHE A 120 1.842 11.699 -6.213 1.00 0.00 C ATOM 1771 C PHE A 120 1.725 12.184 -7.677 1.00 0.00 C ATOM 1772 O PHE A 120 2.243 13.223 -8.054 1.00 0.00 O ATOM 1773 CB PHE A 120 0.972 12.582 -5.241 1.00 0.00 C ATOM 1774 CG PHE A 120 0.660 11.833 -3.912 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.583 10.990 -3.326 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.572 11.987 -3.287 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.293 10.318 -2.157 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.869 11.314 -2.109 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.068 10.475 -1.543 1.00 0.00 C ATOM 0 H PHE A 120 3.575 12.628 -5.312 1.00 0.00 H new ATOM 0 HA PHE A 120 1.477 10.680 -6.085 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.500 13.510 -5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.039 12.855 -5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.548 10.854 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.311 12.641 -3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.032 9.663 -1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.831 11.447 -1.637 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.155 9.946 -0.628 1.00 0.00 H new ATOM 1789 N VAL A 121 1.031 11.372 -8.438 1.00 0.00 N ATOM 1790 CA VAL A 121 0.806 11.635 -9.908 1.00 0.00 C ATOM 1791 C VAL A 121 -0.656 11.474 -10.463 1.00 0.00 C ATOM 1792 O VAL A 121 -1.524 10.980 -9.769 1.00 0.00 O ATOM 1793 CB VAL A 121 1.851 10.680 -10.547 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.229 9.716 -11.537 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.936 11.508 -11.248 1.00 0.00 C ATOM 0 H VAL A 121 0.597 10.514 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 121 0.934 12.689 -10.155 1.00 0.00 H new ATOM 0 HB VAL A 121 2.284 10.084 -9.743 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.004 9.072 -11.954 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.483 9.105 -11.030 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.753 10.277 -12.341 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.670 10.840 -11.697 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.480 12.121 -12.025 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.429 12.152 -10.520 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.885 11.883 -11.702 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.271 11.753 -12.299 1.00 0.00 C ATOM 1807 C ASP A 122 -2.354 10.345 -12.960 1.00 0.00 C ATOM 1808 O ASP A 122 -1.349 9.723 -13.254 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.526 12.849 -13.410 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.037 12.947 -13.717 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.524 12.090 -14.432 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.605 13.883 -13.194 1.00 0.00 O ATOM 0 H ASP A 122 -0.184 12.295 -12.318 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.019 11.886 -11.517 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.152 13.815 -13.072 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.978 12.594 -14.317 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.547 9.902 -13.205 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.746 8.563 -13.815 1.00 0.00 C ATOM 1819 C CYS A 123 -3.778 8.551 -15.334 1.00 0.00 C ATOM 1820 O CYS A 123 -3.402 7.549 -15.914 1.00 0.00 O ATOM 1821 CB CYS A 123 -5.030 8.020 -13.216 1.00 0.00 C ATOM 1822 SG CYS A 123 -5.073 7.955 -11.408 1.00 0.00 S ATOM 0 H CYS A 123 -4.406 10.416 -13.007 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.885 7.934 -13.587 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.861 8.635 -13.561 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.196 7.015 -13.603 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.214 9.654 -15.887 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.327 9.827 -17.379 1.00 0.00 C ATOM 1829 C ARG A 124 -4.600 8.464 -18.059 1.00 0.00 C ATOM 1830 O ARG A 124 -3.804 7.954 -18.820 1.00 0.00 O ATOM 1831 CB ARG A 124 -2.976 10.512 -17.862 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.060 12.028 -17.486 1.00 0.00 C ATOM 1833 CD ARG A 124 -1.863 12.869 -17.993 1.00 0.00 C ATOM 1834 NE ARG A 124 -0.775 12.844 -16.953 1.00 0.00 N ATOM 1835 CZ ARG A 124 0.452 12.619 -17.241 1.00 0.00 C ATOM 1836 NH1 ARG A 124 1.134 13.577 -17.708 1.00 0.00 N ATOM 1837 NH2 ARG A 124 0.897 11.452 -17.028 1.00 0.00 N ATOM 0 H ARG A 124 -4.507 10.472 -15.353 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.168 10.462 -17.657 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.116 10.045 -17.382 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.847 10.390 -18.937 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.981 12.443 -17.895 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -3.122 12.120 -16.402 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -1.492 12.467 -18.936 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -2.177 13.895 -18.185 1.00 0.00 H new ATOM 0 HE ARG A 124 -1.026 13.013 -15.979 1.00 0.00 H new ATOM 0 HH11 ARG A 124 0.703 14.491 -17.844 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.115 13.435 -17.949 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.283 10.735 -16.641 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.869 11.230 -17.243 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.755 7.949 -17.723 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.257 6.632 -18.237 1.00 0.00 C ATOM 1853 C ASP A 125 -6.931 6.853 -19.618 1.00 0.00 C ATOM 1854 O ASP A 125 -7.537 7.902 -19.778 1.00 0.00 O ATOM 1855 CB ASP A 125 -7.250 6.110 -17.123 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.523 4.614 -17.111 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -8.080 4.082 -18.051 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -7.152 3.979 -16.131 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.803 5.958 -20.441 1.00 0.00 O ATOM 0 H ASP A 125 -6.402 8.409 -17.083 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.476 5.891 -18.406 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.851 6.393 -16.149 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.201 6.630 -17.241 1.00 0.00 H new