USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 42 ASN : amide:sc= 0.681 K(o=2.7,f=1.2) USER MOD Set 1.2: B 71 THR OG1 : rot -13:sc= 1.97 USER MOD Set 2.1: B 53 ASN : amide:sc= 0.355 K(o=-1.8,f=-2.7) USER MOD Set 2.2: B 67 ASN : amide:sc= -2.13! C(o=-1.8!,f=-2.7!) USER MOD Set 3.1: B 62 LYS NZ :NH3+ 166:sc= -0.0131 (180deg=-0.192) USER MOD Set 3.2: B 65 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: B 30 SER OG : rot -12:sc= -1.32! USER MOD Set 4.2: B 37 LYS NZ :NH3+ 138:sc= -0.107 (180deg=-2.36!) USER MOD Set 5.1: B 11 ASN : amide:sc= -0.0187 X(o=1.3,f=1.2) USER MOD Set 5.2: B 15 SER OG : rot 101:sc= 1.31 USER MOD Set 6.1: B 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.2: B 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.1: B 10 MET CE :methyl -157:sc= -0.165 (180deg=-0.819) USER MOD Set 7.2: B 12 SER OG : rot -158:sc= 1.25 USER MOD Single : B 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 GLN : amide:sc= -0.0097 K(o=-0.0097,f=-1.1) USER MOD Single : B 4 LYS NZ :NH3+ -171:sc=-0.00874 (180deg=-0.123) USER MOD Single : B 9 GLN :FLIP amide:sc= -0.152 F(o=-1,f=-0.15) USER MOD Single : B 17 ASN :FLIP amide:sc= -5.99! C(o=-13!,f=-6!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= -0.0701 K(o=-0.07,f=-0.98) USER MOD Single : B 22 LYS NZ :NH3+ -108:sc= 0.701 (180deg=-0.394) USER MOD Single : B 24 LYS NZ :NH3+ -138:sc= 0.196 (180deg=-1.79!) USER MOD Single : B 26 LYS NZ :NH3+ 164:sc= -0.015 (180deg=-0.197) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 34 ASN : amide:sc= -0.306 K(o=-0.31,f=-4.9!) USER MOD Single : B 35 GLN : amide:sc= -0.116 K(o=-0.12,f=-2.8!) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0.0059 USER MOD Single : B 40 SER OG : rot 32:sc= -1.82! USER MOD Single : B 41 SER OG : rot -161:sc= -4.09! USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0.00826 USER MOD Single : B 49 TYR OH : rot 130:sc= -1.23 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN :FLIP amide:sc= -1.59 F(o=-3.1,f=-1.6) USER MOD Single : B 64 TYR OH : rot 36:sc= -0.822 USER MOD Single : B 69 LYS NZ :NH3+ 168:sc=-0.00353 (180deg=-0.146) USER MOD Single : B 70 SER OG : rot 180:sc= -0.0675 USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 76 SER OG : rot -123:sc= 1.23 USER MOD Single : B 77 ASN : amide:sc= -0.0202 K(o=-0.02,f=-0.98) USER MOD Single : B 80 ASN :FLIP amide:sc= -1.78! C(o=-4.3!,f=-1.8!) USER MOD Single : B 81 LYS NZ :NH3+ 164:sc= 0.143 (180deg=-0.326) USER MOD Single : B 83 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : B 85 LYS NZ :NH3+ -166:sc= -1.77! (180deg=-2.52!) USER MOD Single : B 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 168:sc= 0.475 (180deg=0.0581) USER MOD Single : B 93 GLN :FLIP amide:sc= -0.225 F(o=-1.2,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 28.649 -4.690 6.796 1.00 0.00 N ATOM 2 CA ASP B 1 27.351 -5.181 7.317 1.00 0.00 C ATOM 3 C ASP B 1 26.435 -4.003 7.614 1.00 0.00 C ATOM 4 O ASP B 1 26.556 -3.355 8.656 1.00 0.00 O ATOM 5 CB ASP B 1 27.563 -6.014 8.584 1.00 0.00 C ATOM 6 CG ASP B 1 26.274 -6.617 9.113 1.00 0.00 C ATOM 7 OD1 ASP B 1 25.584 -5.956 9.917 1.00 0.00 O ATOM 8 OD2 ASP B 1 25.953 -7.767 8.741 1.00 0.00 O1- ATOM 0 H1 ASP B 1 29.271 -5.499 6.595 1.00 0.00 H new ATOM 0 H2 ASP B 1 28.490 -4.150 5.922 1.00 0.00 H new ATOM 0 H3 ASP B 1 29.098 -4.076 7.505 1.00 0.00 H new ATOM 0 HA ASP B 1 26.887 -5.814 6.561 1.00 0.00 H new ATOM 0 HB2 ASP B 1 28.273 -6.813 8.373 1.00 0.00 H new ATOM 0 HB3 ASP B 1 28.009 -5.387 9.356 1.00 0.00 H new ATOM 15 N ASN B 2 25.529 -3.722 6.692 1.00 0.00 N ATOM 16 CA ASN B 2 24.643 -2.571 6.814 1.00 0.00 C ATOM 17 C ASN B 2 23.203 -2.974 6.545 1.00 0.00 C ATOM 18 O ASN B 2 22.432 -2.212 5.967 1.00 0.00 O ATOM 19 CB ASN B 2 25.054 -1.464 5.834 1.00 0.00 C ATOM 20 CG ASN B 2 26.445 -0.925 6.102 1.00 0.00 C ATOM 21 OD1 ASN B 2 26.625 0.026 6.864 1.00 0.00 O ATOM 22 ND2 ASN B 2 27.441 -1.521 5.470 1.00 0.00 N ATOM 0 H ASN B 2 25.386 -4.276 5.847 1.00 0.00 H new ATOM 0 HA ASN B 2 24.725 -2.193 7.833 1.00 0.00 H new ATOM 0 HB2 ASN B 2 25.010 -1.852 4.816 1.00 0.00 H new ATOM 0 HB3 ASN B 2 24.335 -0.647 5.895 1.00 0.00 H new ATOM 0 HD21 ASN B 2 28.398 -1.196 5.606 1.00 0.00 H new ATOM 0 HD22 ASN B 2 27.252 -2.306 4.847 1.00 0.00 H new ATOM 29 N GLN B 3 22.840 -4.178 6.968 1.00 0.00 N ATOM 30 CA GLN B 3 21.492 -4.688 6.752 1.00 0.00 C ATOM 31 C GLN B 3 20.463 -3.905 7.565 1.00 0.00 C ATOM 32 O GLN B 3 19.265 -3.961 7.285 1.00 0.00 O ATOM 33 CB GLN B 3 21.427 -6.175 7.095 1.00 0.00 C ATOM 34 CG GLN B 3 21.771 -6.500 8.537 1.00 0.00 C ATOM 35 CD GLN B 3 21.475 -7.942 8.890 1.00 0.00 C ATOM 36 OE1 GLN B 3 20.562 -8.554 8.338 1.00 0.00 O ATOM 37 NE2 GLN B 3 22.240 -8.495 9.814 1.00 0.00 N ATOM 0 H GLN B 3 23.460 -4.820 7.463 1.00 0.00 H new ATOM 0 HA GLN B 3 21.249 -4.559 5.697 1.00 0.00 H new ATOM 0 HB2 GLN B 3 20.423 -6.541 6.882 1.00 0.00 H new ATOM 0 HB3 GLN B 3 22.109 -6.717 6.440 1.00 0.00 H new ATOM 0 HG2 GLN B 3 22.828 -6.296 8.710 1.00 0.00 H new ATOM 0 HG3 GLN B 3 21.207 -5.843 9.199 1.00 0.00 H new ATOM 0 HE21 GLN B 3 22.987 -7.954 10.248 1.00 0.00 H new ATOM 0 HE22 GLN B 3 22.083 -9.463 10.093 1.00 0.00 H new ATOM 46 N LYS B 4 20.940 -3.163 8.559 1.00 0.00 N ATOM 47 CA LYS B 4 20.096 -2.347 9.395 1.00 0.00 C ATOM 48 C LYS B 4 19.678 -1.061 8.665 1.00 0.00 C ATOM 49 O LYS B 4 18.894 -0.266 9.184 1.00 0.00 O ATOM 50 CB LYS B 4 20.876 -2.034 10.672 1.00 0.00 C ATOM 51 CG LYS B 4 20.145 -1.135 11.635 1.00 0.00 C ATOM 52 CD LYS B 4 18.898 -1.797 12.201 1.00 0.00 C ATOM 53 CE LYS B 4 18.071 -0.819 13.022 1.00 0.00 C ATOM 54 NZ LYS B 4 18.862 -0.198 14.117 1.00 0.00 N1+ ATOM 0 H LYS B 4 21.930 -3.117 8.801 1.00 0.00 H new ATOM 0 HA LYS B 4 19.176 -2.878 9.640 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.116 -2.970 11.177 1.00 0.00 H new ATOM 0 HB3 LYS B 4 21.822 -1.566 10.401 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.812 -0.861 12.452 1.00 0.00 H new ATOM 0 HG3 LYS B 4 19.866 -0.211 11.128 1.00 0.00 H new ATOM 0 HD2 LYS B 4 18.292 -2.192 11.385 1.00 0.00 H new ATOM 0 HD3 LYS B 4 19.185 -2.644 12.824 1.00 0.00 H new ATOM 0 HE2 LYS B 4 17.681 -0.038 12.369 1.00 0.00 H new ATOM 0 HE3 LYS B 4 17.212 -1.339 13.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 18.228 0.341 14.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 19.338 -0.942 14.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 19.574 0.442 13.711 1.00 0.00 H new ATOM 68 N ALA B 5 20.199 -0.876 7.453 1.00 0.00 N ATOM 69 CA ALA B 5 19.887 0.299 6.643 1.00 0.00 C ATOM 70 C ALA B 5 18.382 0.488 6.492 1.00 0.00 C ATOM 71 O ALA B 5 17.698 -0.329 5.868 1.00 0.00 O ATOM 72 CB ALA B 5 20.537 0.187 5.272 1.00 0.00 C ATOM 0 H ALA B 5 20.843 -1.530 7.009 1.00 0.00 H new ATOM 0 HA ALA B 5 20.288 1.171 7.159 1.00 0.00 H new ATOM 0 HB1 ALA B 5 20.295 1.070 4.681 1.00 0.00 H new ATOM 0 HB2 ALA B 5 21.618 0.113 5.387 1.00 0.00 H new ATOM 0 HB3 ALA B 5 20.164 -0.703 4.764 1.00 0.00 H new ATOM 78 N LEU B 6 17.877 1.581 7.052 1.00 0.00 N ATOM 79 CA LEU B 6 16.450 1.876 7.021 1.00 0.00 C ATOM 80 C LEU B 6 16.018 2.277 5.619 1.00 0.00 C ATOM 81 O LEU B 6 14.831 2.284 5.301 1.00 0.00 O ATOM 82 CB LEU B 6 16.113 2.989 8.016 1.00 0.00 C ATOM 83 CG LEU B 6 16.435 2.677 9.480 1.00 0.00 C ATOM 84 CD1 LEU B 6 16.110 3.871 10.362 1.00 0.00 C ATOM 85 CD2 LEU B 6 15.672 1.446 9.950 1.00 0.00 C ATOM 0 H LEU B 6 18.439 2.281 7.536 1.00 0.00 H new ATOM 0 HA LEU B 6 15.907 0.975 7.307 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.654 3.889 7.726 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.050 3.216 7.935 1.00 0.00 H new ATOM 0 HG LEU B 6 17.502 2.468 9.557 1.00 0.00 H new ATOM 0 HD11 LEU B 6 16.345 3.632 11.399 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.702 4.730 10.045 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.050 4.109 10.276 1.00 0.00 H new ATOM 0 HD21 LEU B 6 15.916 1.243 10.993 1.00 0.00 H new ATOM 0 HD22 LEU B 6 14.601 1.624 9.856 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.952 0.589 9.338 1.00 0.00 H new ATOM 97 N GLU B 7 16.988 2.634 4.789 1.00 0.00 N ATOM 98 CA GLU B 7 16.726 2.930 3.393 1.00 0.00 C ATOM 99 C GLU B 7 16.223 1.681 2.678 1.00 0.00 C ATOM 100 O GLU B 7 15.267 1.733 1.904 1.00 0.00 O ATOM 101 CB GLU B 7 17.996 3.437 2.716 1.00 0.00 C ATOM 102 CG GLU B 7 18.645 4.596 3.442 1.00 0.00 C ATOM 103 CD GLU B 7 19.817 5.168 2.678 1.00 0.00 C ATOM 104 OE1 GLU B 7 19.607 6.068 1.843 1.00 0.00 O ATOM 105 OE2 GLU B 7 20.957 4.712 2.902 1.00 0.00 O1- ATOM 0 H GLU B 7 17.966 2.725 5.062 1.00 0.00 H new ATOM 0 HA GLU B 7 15.961 3.704 3.338 1.00 0.00 H new ATOM 0 HB2 GLU B 7 18.711 2.618 2.643 1.00 0.00 H new ATOM 0 HB3 GLU B 7 17.758 3.744 1.698 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.905 5.379 3.607 1.00 0.00 H new ATOM 0 HG3 GLU B 7 18.982 4.264 4.424 1.00 0.00 H new ATOM 112 N GLU B 8 16.885 0.561 2.938 1.00 0.00 N ATOM 113 CA GLU B 8 16.491 -0.705 2.371 1.00 0.00 C ATOM 114 C GLU B 8 15.261 -1.240 3.077 1.00 0.00 C ATOM 115 O GLU B 8 14.284 -1.653 2.450 1.00 0.00 O ATOM 116 CB GLU B 8 17.645 -1.695 2.476 1.00 0.00 C ATOM 117 CG GLU B 8 18.927 -1.189 1.835 1.00 0.00 C ATOM 118 CD GLU B 8 18.849 -1.142 0.324 1.00 0.00 C ATOM 119 OE1 GLU B 8 19.160 -2.164 -0.319 1.00 0.00 O ATOM 120 OE2 GLU B 8 18.485 -0.086 -0.229 1.00 0.00 O1- ATOM 0 H GLU B 8 17.704 0.513 3.545 1.00 0.00 H new ATOM 0 HA GLU B 8 16.243 -0.564 1.319 1.00 0.00 H new ATOM 0 HB2 GLU B 8 17.833 -1.914 3.527 1.00 0.00 H new ATOM 0 HB3 GLU B 8 17.355 -2.633 2.002 1.00 0.00 H new ATOM 0 HG2 GLU B 8 19.148 -0.191 2.214 1.00 0.00 H new ATOM 0 HG3 GLU B 8 19.755 -1.833 2.132 1.00 0.00 H new ATOM 127 N GLN B 9 15.316 -1.194 4.384 1.00 0.00 N ATOM 128 CA GLN B 9 14.219 -1.652 5.225 1.00 0.00 C ATOM 129 C GLN B 9 13.294 -0.496 5.576 1.00 0.00 C ATOM 130 O GLN B 9 13.138 -0.143 6.746 1.00 0.00 O ATOM 131 CB GLN B 9 14.747 -2.312 6.497 1.00 0.00 C ATOM 132 CG GLN B 9 15.494 -3.611 6.244 1.00 0.00 C ATOM 133 CD GLN B 9 14.635 -4.664 5.562 1.00 0.00 C ATOM 134 OE1 GLN B 9 13.340 -4.668 5.851 1.00 0.00 O flip ATOM 135 NE2 GLN B 9 15.138 -5.481 4.794 1.00 0.00 N flip ATOM 0 H GLN B 9 16.119 -0.839 4.903 1.00 0.00 H new ATOM 0 HA GLN B 9 13.651 -2.394 4.663 1.00 0.00 H new ATOM 0 HB2 GLN B 9 15.410 -1.615 7.009 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.911 -2.508 7.168 1.00 0.00 H new ATOM 0 HG2 GLN B 9 16.369 -3.407 5.626 1.00 0.00 H new ATOM 0 HG3 GLN B 9 15.859 -4.005 7.193 1.00 0.00 H new ATOM 0 HE21 GLN B 9 16.138 -5.446 4.596 1.00 0.00 H new ATOM 0 HE22 GLN B 9 14.555 -6.194 4.355 1.00 0.00 H new ATOM 144 N MET B 10 12.695 0.091 4.546 1.00 0.00 N ATOM 145 CA MET B 10 11.766 1.204 4.714 1.00 0.00 C ATOM 146 C MET B 10 10.654 0.852 5.694 1.00 0.00 C ATOM 147 O MET B 10 10.025 -0.191 5.591 1.00 0.00 O ATOM 148 CB MET B 10 11.146 1.590 3.365 1.00 0.00 C ATOM 149 CG MET B 10 12.118 2.246 2.397 1.00 0.00 C ATOM 150 SD MET B 10 12.626 3.900 2.915 1.00 0.00 S ATOM 151 CE MET B 10 11.055 4.763 2.913 1.00 0.00 C ATOM 0 H MET B 10 12.838 -0.189 3.576 1.00 0.00 H new ATOM 0 HA MET B 10 12.331 2.047 5.113 1.00 0.00 H new ATOM 0 HB2 MET B 10 10.734 0.695 2.898 1.00 0.00 H new ATOM 0 HB3 MET B 10 10.313 2.270 3.542 1.00 0.00 H new ATOM 0 HG2 MET B 10 13.002 1.616 2.296 1.00 0.00 H new ATOM 0 HG3 MET B 10 11.655 2.306 1.412 1.00 0.00 H new ATOM 0 HE1 MET B 10 11.228 5.834 2.805 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.446 4.408 2.081 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.534 4.572 3.851 1.00 0.00 H new ATOM 161 N ASN B 11 10.431 1.744 6.644 1.00 0.00 N ATOM 162 CA ASN B 11 9.368 1.623 7.632 1.00 0.00 C ATOM 163 C ASN B 11 8.010 1.383 6.977 1.00 0.00 C ATOM 164 O ASN B 11 7.090 0.836 7.586 1.00 0.00 O ATOM 165 CB ASN B 11 9.318 2.909 8.459 1.00 0.00 C ATOM 166 CG ASN B 11 8.171 2.941 9.453 1.00 0.00 C ATOM 167 OD1 ASN B 11 7.083 3.439 9.155 1.00 0.00 O ATOM 168 ND2 ASN B 11 8.407 2.418 10.642 1.00 0.00 N ATOM 0 H ASN B 11 10.993 2.588 6.754 1.00 0.00 H new ATOM 0 HA ASN B 11 9.583 0.764 8.267 1.00 0.00 H new ATOM 0 HB2 ASN B 11 10.259 3.023 8.997 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.230 3.762 7.786 1.00 0.00 H new ATOM 0 HD21 ASN B 11 7.675 2.417 11.353 1.00 0.00 H new ATOM 0 HD22 ASN B 11 9.321 2.015 10.850 1.00 0.00 H new ATOM 175 N SER B 12 7.904 1.787 5.726 1.00 0.00 N ATOM 176 CA SER B 12 6.657 1.733 4.994 1.00 0.00 C ATOM 177 C SER B 12 6.226 0.295 4.707 1.00 0.00 C ATOM 178 O SER B 12 5.062 0.056 4.406 1.00 0.00 O ATOM 179 CB SER B 12 6.815 2.507 3.691 1.00 0.00 C ATOM 180 OG SER B 12 7.456 3.749 3.936 1.00 0.00 O ATOM 0 H SER B 12 8.685 2.163 5.188 1.00 0.00 H new ATOM 0 HA SER B 12 5.877 2.185 5.607 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.398 1.922 2.980 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.838 2.676 3.239 1.00 0.00 H new ATOM 0 HG SER B 12 7.254 4.371 3.206 1.00 0.00 H new ATOM 186 N ILE B 13 7.160 -0.656 4.826 1.00 0.00 N ATOM 187 CA ILE B 13 6.878 -2.062 4.534 1.00 0.00 C ATOM 188 C ILE B 13 5.607 -2.528 5.235 1.00 0.00 C ATOM 189 O ILE B 13 4.602 -2.844 4.599 1.00 0.00 O ATOM 190 CB ILE B 13 8.035 -2.977 4.992 1.00 0.00 C ATOM 191 CG1 ILE B 13 9.338 -2.592 4.297 1.00 0.00 C ATOM 192 CG2 ILE B 13 7.702 -4.441 4.731 1.00 0.00 C ATOM 193 CD1 ILE B 13 9.434 -3.042 2.855 1.00 0.00 C ATOM 0 H ILE B 13 8.119 -0.474 5.123 1.00 0.00 H new ATOM 0 HA ILE B 13 6.756 -2.133 3.453 1.00 0.00 H new ATOM 0 HB ILE B 13 8.167 -2.842 6.065 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.449 -1.508 4.335 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.172 -3.018 4.854 1.00 0.00 H new ATOM 0 HG21 ILE B 13 8.531 -5.067 5.061 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.801 -4.713 5.280 1.00 0.00 H new ATOM 0 HG23 ILE B 13 7.536 -4.592 3.664 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.391 -2.727 2.438 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.357 -4.128 2.807 1.00 0.00 H new ATOM 0 HD13 ILE B 13 8.623 -2.595 2.280 1.00 0.00 H new ATOM 205 N ASN B 14 5.661 -2.538 6.554 1.00 0.00 N ATOM 206 CA ASN B 14 4.554 -3.013 7.365 1.00 0.00 C ATOM 207 C ASN B 14 3.469 -1.958 7.455 1.00 0.00 C ATOM 208 O ASN B 14 2.296 -2.271 7.656 1.00 0.00 O ATOM 209 CB ASN B 14 5.049 -3.358 8.764 1.00 0.00 C ATOM 210 CG ASN B 14 6.016 -4.527 8.767 1.00 0.00 C ATOM 211 OD1 ASN B 14 5.609 -5.680 8.919 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.297 -4.250 8.586 1.00 0.00 N ATOM 0 H ASN B 14 6.468 -2.219 7.091 1.00 0.00 H new ATOM 0 HA ASN B 14 4.138 -3.905 6.896 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.537 -2.486 9.198 1.00 0.00 H new ATOM 0 HB3 ASN B 14 4.196 -3.595 9.400 1.00 0.00 H new ATOM 0 HD21 ASN B 14 7.984 -5.004 8.569 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.597 -3.283 8.464 1.00 0.00 H new ATOM 219 N SER B 15 3.869 -0.707 7.293 1.00 0.00 N ATOM 220 CA SER B 15 2.959 0.407 7.416 1.00 0.00 C ATOM 221 C SER B 15 1.939 0.407 6.283 1.00 0.00 C ATOM 222 O SER B 15 0.798 0.799 6.485 1.00 0.00 O ATOM 223 CB SER B 15 3.739 1.718 7.450 1.00 0.00 C ATOM 224 OG SER B 15 4.711 1.698 8.483 1.00 0.00 O ATOM 0 H SER B 15 4.829 -0.442 7.074 1.00 0.00 H new ATOM 0 HA SER B 15 2.410 0.305 8.352 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.226 1.882 6.489 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.053 2.551 7.606 1.00 0.00 H new ATOM 0 HG SER B 15 5.591 1.502 8.100 1.00 0.00 H new ATOM 230 N VAL B 16 2.347 -0.046 5.095 1.00 0.00 N ATOM 231 CA VAL B 16 1.419 -0.166 3.966 1.00 0.00 C ATOM 232 C VAL B 16 0.404 -1.260 4.258 1.00 0.00 C ATOM 233 O VAL B 16 -0.797 -1.107 4.016 1.00 0.00 O ATOM 234 CB VAL B 16 2.140 -0.487 2.634 1.00 0.00 C ATOM 235 CG1 VAL B 16 1.135 -0.767 1.522 1.00 0.00 C ATOM 236 CG2 VAL B 16 3.064 0.647 2.224 1.00 0.00 C ATOM 0 H VAL B 16 3.304 -0.333 4.890 1.00 0.00 H new ATOM 0 HA VAL B 16 0.926 0.799 3.850 1.00 0.00 H new ATOM 0 HB VAL B 16 2.740 -1.382 2.795 1.00 0.00 H new ATOM 0 HG11 VAL B 16 1.668 -0.990 0.598 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.515 -1.620 1.798 1.00 0.00 H new ATOM 0 HG13 VAL B 16 0.502 0.108 1.374 1.00 0.00 H new ATOM 0 HG21 VAL B 16 3.557 0.394 1.285 1.00 0.00 H new ATOM 0 HG22 VAL B 16 2.484 1.560 2.094 1.00 0.00 H new ATOM 0 HG23 VAL B 16 3.816 0.802 2.998 1.00 0.00 H new ATOM 246 N ASN B 17 0.907 -2.356 4.804 1.00 0.00 N ATOM 247 CA ASN B 17 0.078 -3.487 5.187 1.00 0.00 C ATOM 248 C ASN B 17 -0.978 -3.078 6.206 1.00 0.00 C ATOM 249 O ASN B 17 -2.175 -3.213 5.966 1.00 0.00 O ATOM 250 CB ASN B 17 0.958 -4.589 5.775 1.00 0.00 C ATOM 251 CG ASN B 17 0.146 -5.646 6.482 1.00 0.00 C ATOM 252 OD1 ASN B 17 -0.276 -6.652 5.753 1.00 0.00 O flip ATOM 253 ND2 ASN B 17 -0.099 -5.562 7.685 1.00 0.00 N flip ATOM 0 H ASN B 17 1.901 -2.486 4.994 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.433 -3.854 4.296 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.540 -5.052 4.978 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.669 -4.150 6.475 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.245 -4.765 8.221 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.646 -6.289 8.146 1.00 0.00 H new ATOM 260 N ASP B 18 -0.515 -2.560 7.332 1.00 0.00 N ATOM 261 CA ASP B 18 -1.391 -2.171 8.436 1.00 0.00 C ATOM 262 C ASP B 18 -2.250 -0.972 8.080 1.00 0.00 C ATOM 263 O ASP B 18 -3.178 -0.623 8.804 1.00 0.00 O ATOM 264 CB ASP B 18 -0.573 -1.869 9.689 1.00 0.00 C ATOM 265 CG ASP B 18 -0.921 -2.788 10.844 1.00 0.00 C ATOM 266 OD1 ASP B 18 -0.389 -3.918 10.911 1.00 0.00 O ATOM 267 OD2 ASP B 18 -1.736 -2.382 11.699 1.00 0.00 O1- ATOM 0 H ASP B 18 0.476 -2.396 7.511 1.00 0.00 H new ATOM 0 HA ASP B 18 -2.054 -3.013 8.633 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.488 -1.966 9.459 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.741 -0.834 9.988 1.00 0.00 H new ATOM 272 N LYS B 19 -1.918 -0.326 6.981 1.00 0.00 N ATOM 273 CA LYS B 19 -2.705 0.740 6.444 1.00 0.00 C ATOM 274 C LYS B 19 -3.924 0.200 5.696 1.00 0.00 C ATOM 275 O LYS B 19 -5.057 0.635 5.912 1.00 0.00 O ATOM 276 CB LYS B 19 -1.784 1.488 5.513 1.00 0.00 C ATOM 277 CG LYS B 19 -2.451 2.450 4.598 1.00 0.00 C ATOM 278 CD LYS B 19 -3.181 3.541 5.359 1.00 0.00 C ATOM 279 CE LYS B 19 -2.269 4.212 6.374 1.00 0.00 C ATOM 280 NZ LYS B 19 -2.958 5.300 7.115 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.082 -0.537 6.437 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.096 1.387 7.229 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.051 2.029 6.111 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.234 0.763 4.913 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -1.708 2.901 3.941 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -3.157 1.916 3.962 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -3.559 4.286 4.658 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.045 3.116 5.869 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -1.905 3.467 7.081 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -1.397 4.619 5.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -2.298 5.728 7.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -3.283 6.025 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -3.776 4.909 7.625 1.00 0.00 H new ATOM 294 N LEU B 20 -3.667 -0.741 4.811 1.00 0.00 N ATOM 295 CA LEU B 20 -4.709 -1.339 3.984 1.00 0.00 C ATOM 296 C LEU B 20 -5.502 -2.408 4.737 1.00 0.00 C ATOM 297 O LEU B 20 -6.645 -2.699 4.387 1.00 0.00 O ATOM 298 CB LEU B 20 -4.098 -1.941 2.719 1.00 0.00 C ATOM 299 CG LEU B 20 -3.479 -0.936 1.750 1.00 0.00 C ATOM 300 CD1 LEU B 20 -2.906 -1.645 0.533 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.508 0.091 1.322 1.00 0.00 C ATOM 0 H LEU B 20 -2.734 -1.116 4.641 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.403 -0.543 3.714 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.331 -2.658 3.012 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.872 -2.499 2.192 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.667 -0.423 2.265 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.470 -0.911 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.136 -2.348 0.851 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.701 -2.186 0.019 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.050 0.799 0.632 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.340 -0.411 0.828 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.876 0.625 2.198 1.00 0.00 H new ATOM 313 N ASN B 21 -4.907 -2.974 5.775 1.00 0.00 N ATOM 314 CA ASN B 21 -5.531 -4.058 6.516 1.00 0.00 C ATOM 315 C ASN B 21 -5.814 -3.635 7.947 1.00 0.00 C ATOM 316 O ASN B 21 -4.953 -3.721 8.825 1.00 0.00 O ATOM 317 CB ASN B 21 -4.639 -5.300 6.487 1.00 0.00 C ATOM 318 CG ASN B 21 -5.230 -6.480 7.228 1.00 0.00 C ATOM 319 OD1 ASN B 21 -6.032 -7.235 6.678 1.00 0.00 O ATOM 320 ND2 ASN B 21 -4.825 -6.664 8.469 1.00 0.00 N ATOM 0 H ASN B 21 -3.989 -2.699 6.124 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.481 -4.302 6.040 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -4.458 -5.585 5.450 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -3.671 -5.054 6.923 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -5.178 -7.455 9.009 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -4.159 -6.016 8.890 1.00 0.00 H new ATOM 327 N LYS B 22 -7.020 -3.143 8.161 1.00 0.00 N ATOM 328 CA LYS B 22 -7.456 -2.715 9.488 1.00 0.00 C ATOM 329 C LYS B 22 -8.897 -3.158 9.739 1.00 0.00 C ATOM 330 O LYS B 22 -9.159 -4.051 10.546 1.00 0.00 O ATOM 331 CB LYS B 22 -7.361 -1.191 9.639 1.00 0.00 C ATOM 332 CG LYS B 22 -6.128 -0.572 9.003 1.00 0.00 C ATOM 333 CD LYS B 22 -6.012 0.914 9.310 1.00 0.00 C ATOM 334 CE LYS B 22 -5.704 1.162 10.778 1.00 0.00 C ATOM 335 NZ LYS B 22 -4.434 0.513 11.192 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.723 -3.027 7.431 1.00 0.00 H new ATOM 0 HA LYS B 22 -6.796 -3.180 10.220 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -8.249 -0.738 9.197 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -7.371 -0.942 10.700 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -5.237 -1.087 9.363 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -6.166 -0.717 7.923 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.227 1.353 8.694 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.943 1.414 9.044 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -5.640 2.235 10.960 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -6.522 0.783 11.390 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -4.644 -0.305 11.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -3.916 0.194 10.348 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -3.852 1.195 11.719 1.00 0.00 H new ATOM 349 N GLY B 23 -9.823 -2.524 9.035 1.00 0.00 N ATOM 350 CA GLY B 23 -11.225 -2.858 9.160 1.00 0.00 C ATOM 351 C GLY B 23 -11.913 -2.798 7.818 1.00 0.00 C ATOM 352 O GLY B 23 -12.955 -2.161 7.662 1.00 0.00 O ATOM 0 H GLY B 23 -9.624 -1.775 8.372 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.329 -3.857 9.582 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.707 -2.168 9.852 1.00 0.00 H new ATOM 356 N LYS B 24 -11.299 -3.443 6.839 1.00 0.00 N ATOM 357 CA LYS B 24 -11.792 -3.425 5.474 1.00 0.00 C ATOM 358 C LYS B 24 -11.917 -4.857 4.960 1.00 0.00 C ATOM 359 O LYS B 24 -12.371 -5.748 5.683 1.00 0.00 O ATOM 360 CB LYS B 24 -10.837 -2.621 4.575 1.00 0.00 C ATOM 361 CG LYS B 24 -10.070 -1.531 5.310 1.00 0.00 C ATOM 362 CD LYS B 24 -9.198 -0.719 4.369 1.00 0.00 C ATOM 363 CE LYS B 24 -8.224 0.161 5.138 1.00 0.00 C ATOM 364 NZ LYS B 24 -7.468 1.073 4.240 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.449 -3.991 6.969 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.772 -2.948 5.452 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -10.125 -3.305 4.114 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.410 -2.167 3.767 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -10.774 -0.869 5.815 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -9.448 -1.983 6.082 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -8.644 -1.390 3.713 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -9.827 -0.098 3.732 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -8.771 0.749 5.875 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -7.524 -0.468 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -6.471 1.104 4.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -7.528 0.725 3.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -7.875 2.029 4.293 1.00 0.00 H new ATOM 378 N GLY B 25 -11.520 -5.075 3.713 1.00 0.00 N ATOM 379 CA GLY B 25 -11.546 -6.406 3.147 1.00 0.00 C ATOM 380 C GLY B 25 -10.392 -7.250 3.666 1.00 0.00 C ATOM 381 O GLY B 25 -9.434 -6.711 4.225 1.00 0.00 O ATOM 0 H GLY B 25 -11.179 -4.349 3.083 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.492 -6.889 3.392 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.493 -6.342 2.060 1.00 0.00 H new ATOM 385 N LYS B 26 -10.487 -8.567 3.501 1.00 0.00 N ATOM 386 CA LYS B 26 -9.443 -9.474 3.977 1.00 0.00 C ATOM 387 C LYS B 26 -8.199 -9.308 3.123 1.00 0.00 C ATOM 388 O LYS B 26 -8.309 -8.970 1.952 1.00 0.00 O ATOM 389 CB LYS B 26 -9.911 -10.931 3.932 1.00 0.00 C ATOM 390 CG LYS B 26 -11.085 -11.238 4.848 1.00 0.00 C ATOM 391 CD LYS B 26 -12.420 -10.962 4.174 1.00 0.00 C ATOM 392 CE LYS B 26 -12.810 -12.085 3.229 1.00 0.00 C ATOM 393 NZ LYS B 26 -13.187 -13.327 3.957 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.272 -9.030 3.043 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.217 -9.223 5.013 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -10.189 -11.180 2.908 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -9.076 -11.577 4.202 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.043 -12.283 5.154 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.005 -10.637 5.754 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -13.193 -10.839 4.933 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.363 -10.024 3.622 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -13.646 -11.762 2.609 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.978 -12.298 2.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.696 -13.966 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.328 -13.799 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.800 -13.085 4.761 1.00 0.00 H new ATOM 407 N LEU B 27 -7.026 -9.546 3.697 1.00 0.00 N ATOM 408 CA LEU B 27 -5.802 -9.297 3.023 1.00 0.00 C ATOM 409 C LEU B 27 -4.727 -10.293 3.496 1.00 0.00 C ATOM 410 O LEU B 27 -4.460 -10.398 4.691 1.00 0.00 O ATOM 411 CB LEU B 27 -5.401 -7.864 3.327 1.00 0.00 C ATOM 412 CG LEU B 27 -4.194 -7.420 2.571 1.00 0.00 C ATOM 413 CD1 LEU B 27 -4.566 -7.096 1.130 1.00 0.00 C ATOM 414 CD2 LEU B 27 -3.509 -6.243 3.244 1.00 0.00 C ATOM 0 H LEU B 27 -6.919 -9.916 4.641 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.911 -9.430 1.947 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.234 -7.202 3.090 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.209 -7.766 4.396 1.00 0.00 H new ATOM 0 HG LEU B 27 -3.477 -8.241 2.567 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.677 -6.773 0.588 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.979 -7.984 0.652 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -5.309 -6.298 1.117 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -2.635 -5.950 2.663 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.203 -5.404 3.304 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.197 -6.529 4.249 1.00 0.00 H new ATOM 426 N SER B 28 -4.133 -11.032 2.561 1.00 0.00 N ATOM 427 CA SER B 28 -3.135 -12.058 2.884 1.00 0.00 C ATOM 428 C SER B 28 -1.720 -11.606 2.499 1.00 0.00 C ATOM 429 O SER B 28 -1.292 -11.751 1.355 1.00 0.00 O ATOM 430 CB SER B 28 -3.490 -13.363 2.177 1.00 0.00 C ATOM 431 OG SER B 28 -4.835 -13.730 2.447 1.00 0.00 O ATOM 0 H SER B 28 -4.326 -10.940 1.564 1.00 0.00 H new ATOM 0 HA SER B 28 -3.146 -12.218 3.962 1.00 0.00 H new ATOM 0 HB2 SER B 28 -3.347 -13.251 1.102 1.00 0.00 H new ATOM 0 HB3 SER B 28 -2.818 -14.156 2.507 1.00 0.00 H new ATOM 0 HG SER B 28 -5.045 -14.568 1.984 1.00 0.00 H new ATOM 437 N LEU B 29 -1.013 -11.085 3.491 1.00 0.00 N ATOM 438 CA LEU B 29 0.240 -10.363 3.340 1.00 0.00 C ATOM 439 C LEU B 29 1.424 -11.230 2.884 1.00 0.00 C ATOM 440 O LEU B 29 1.516 -12.417 3.207 1.00 0.00 O ATOM 441 CB LEU B 29 0.565 -9.787 4.715 1.00 0.00 C ATOM 442 CG LEU B 29 -0.623 -9.765 5.701 1.00 0.00 C ATOM 443 CD1 LEU B 29 -0.181 -9.255 7.057 1.00 0.00 C ATOM 444 CD2 LEU B 29 -1.800 -8.951 5.154 1.00 0.00 C ATOM 0 H LEU B 29 -1.310 -11.157 4.464 1.00 0.00 H new ATOM 0 HA LEU B 29 0.106 -9.612 2.561 1.00 0.00 H new ATOM 0 HB2 LEU B 29 1.375 -10.368 5.156 1.00 0.00 H new ATOM 0 HB3 LEU B 29 0.935 -8.769 4.590 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.975 -10.790 5.821 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.032 -9.247 7.738 1.00 0.00 H new ATOM 0 HD12 LEU B 29 0.596 -9.907 7.455 1.00 0.00 H new ATOM 0 HD13 LEU B 29 0.212 -8.243 6.955 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.616 -8.960 5.877 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.481 -7.923 4.979 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.141 -9.390 4.216 1.00 0.00 H new ATOM 456 N SER B 30 2.319 -10.592 2.125 1.00 0.00 N ATOM 457 CA SER B 30 3.595 -11.147 1.725 1.00 0.00 C ATOM 458 C SER B 30 4.573 -9.999 1.428 1.00 0.00 C ATOM 459 O SER B 30 4.145 -8.903 1.057 1.00 0.00 O ATOM 460 CB SER B 30 3.412 -12.013 0.487 1.00 0.00 C ATOM 461 OG SER B 30 2.625 -11.355 -0.491 1.00 0.00 O ATOM 0 H SER B 30 2.162 -9.650 1.767 1.00 0.00 H new ATOM 0 HA SER B 30 3.997 -11.764 2.528 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.387 -12.260 0.066 1.00 0.00 H new ATOM 0 HB3 SER B 30 2.937 -12.954 0.766 1.00 0.00 H new ATOM 0 HG SER B 30 2.205 -10.563 -0.095 1.00 0.00 H new ATOM 467 N MET B 31 5.873 -10.237 1.583 1.00 0.00 N ATOM 468 CA MET B 31 6.865 -9.177 1.388 1.00 0.00 C ATOM 469 C MET B 31 7.781 -9.461 0.202 1.00 0.00 C ATOM 470 O MET B 31 8.060 -10.617 -0.114 1.00 0.00 O ATOM 471 CB MET B 31 7.732 -9.005 2.637 1.00 0.00 C ATOM 472 CG MET B 31 6.971 -8.585 3.879 1.00 0.00 C ATOM 473 SD MET B 31 8.081 -8.208 5.249 1.00 0.00 S ATOM 474 CE MET B 31 6.907 -7.827 6.544 1.00 0.00 C ATOM 0 H MET B 31 6.264 -11.143 1.840 1.00 0.00 H new ATOM 0 HA MET B 31 6.304 -8.264 1.191 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.244 -9.946 2.841 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.502 -8.262 2.430 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.362 -7.710 3.653 1.00 0.00 H new ATOM 0 HG3 MET B 31 6.288 -9.382 4.173 1.00 0.00 H new ATOM 0 HE1 MET B 31 7.443 -7.573 7.458 1.00 0.00 H new ATOM 0 HE2 MET B 31 6.290 -6.982 6.239 1.00 0.00 H new ATOM 0 HE3 MET B 31 6.271 -8.694 6.725 1.00 0.00 H new ATOM 484 N ASN B 32 8.245 -8.394 -0.449 1.00 0.00 N ATOM 485 CA ASN B 32 9.263 -8.497 -1.498 1.00 0.00 C ATOM 486 C ASN B 32 9.826 -7.119 -1.821 1.00 0.00 C ATOM 487 O ASN B 32 9.079 -6.233 -2.229 1.00 0.00 O ATOM 488 CB ASN B 32 8.686 -9.112 -2.773 1.00 0.00 C ATOM 489 CG ASN B 32 9.756 -9.343 -3.825 1.00 0.00 C ATOM 490 OD1 ASN B 32 10.918 -9.587 -3.505 1.00 0.00 O ATOM 491 ND2 ASN B 32 9.372 -9.276 -5.086 1.00 0.00 N ATOM 0 H ASN B 32 7.930 -7.441 -0.267 1.00 0.00 H new ATOM 0 HA ASN B 32 10.057 -9.144 -1.125 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.203 -10.059 -2.533 1.00 0.00 H new ATOM 0 HB3 ASN B 32 7.916 -8.455 -3.177 1.00 0.00 H new ATOM 0 HD21 ASN B 32 10.048 -9.429 -5.834 1.00 0.00 H new ATOM 0 HD22 ASN B 32 8.399 -9.071 -5.313 1.00 0.00 H new ATOM 498 N GLY B 33 11.133 -6.936 -1.647 1.00 0.00 N ATOM 499 CA GLY B 33 11.723 -5.626 -1.873 1.00 0.00 C ATOM 500 C GLY B 33 11.184 -4.618 -0.892 1.00 0.00 C ATOM 501 O GLY B 33 11.371 -4.755 0.319 1.00 0.00 O ATOM 0 H GLY B 33 11.788 -7.662 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.807 -5.689 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY B 33 11.512 -5.298 -2.891 1.00 0.00 H new ATOM 505 N ASN B 34 10.500 -3.616 -1.404 1.00 0.00 N ATOM 506 CA ASN B 34 9.791 -2.679 -0.558 1.00 0.00 C ATOM 507 C ASN B 34 8.323 -2.691 -0.919 1.00 0.00 C ATOM 508 O ASN B 34 7.595 -1.730 -0.671 1.00 0.00 O ATOM 509 CB ASN B 34 10.369 -1.270 -0.671 1.00 0.00 C ATOM 510 CG ASN B 34 11.774 -1.180 -0.108 1.00 0.00 C ATOM 511 OD1 ASN B 34 12.758 -1.339 -0.826 1.00 0.00 O ATOM 512 ND2 ASN B 34 11.877 -0.939 1.188 1.00 0.00 N ATOM 0 H ASN B 34 10.420 -3.429 -2.404 1.00 0.00 H new ATOM 0 HA ASN B 34 9.910 -2.989 0.480 1.00 0.00 H new ATOM 0 HB2 ASN B 34 10.379 -0.966 -1.718 1.00 0.00 H new ATOM 0 HB3 ASN B 34 9.722 -0.570 -0.142 1.00 0.00 H new ATOM 0 HD21 ASN B 34 12.797 -0.880 1.624 1.00 0.00 H new ATOM 0 HD22 ASN B 34 11.036 -0.812 1.752 1.00 0.00 H new ATOM 519 N GLN B 35 7.901 -3.797 -1.516 1.00 0.00 N ATOM 520 CA GLN B 35 6.514 -3.994 -1.875 1.00 0.00 C ATOM 521 C GLN B 35 5.749 -4.572 -0.711 1.00 0.00 C ATOM 522 O GLN B 35 6.328 -5.158 0.207 1.00 0.00 O ATOM 523 CB GLN B 35 6.381 -4.966 -3.042 1.00 0.00 C ATOM 524 CG GLN B 35 7.049 -4.510 -4.315 1.00 0.00 C ATOM 525 CD GLN B 35 6.847 -5.497 -5.443 1.00 0.00 C ATOM 526 OE1 GLN B 35 5.854 -5.429 -6.171 1.00 0.00 O ATOM 527 NE2 GLN B 35 7.785 -6.414 -5.604 1.00 0.00 N ATOM 0 H GLN B 35 8.511 -4.576 -1.762 1.00 0.00 H new ATOM 0 HA GLN B 35 6.113 -3.020 -2.155 1.00 0.00 H new ATOM 0 HB2 GLN B 35 6.804 -5.927 -2.748 1.00 0.00 H new ATOM 0 HB3 GLN B 35 5.322 -5.132 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN B 35 6.650 -3.539 -4.607 1.00 0.00 H new ATOM 0 HG3 GLN B 35 8.116 -4.376 -4.137 1.00 0.00 H new ATOM 0 HE21 GLN B 35 8.591 -6.435 -4.979 1.00 0.00 H new ATOM 0 HE22 GLN B 35 7.703 -7.101 -6.353 1.00 0.00 H new ATOM 536 N LEU B 36 4.448 -4.432 -0.775 1.00 0.00 N ATOM 537 CA LEU B 36 3.576 -5.118 0.145 1.00 0.00 C ATOM 538 C LEU B 36 2.522 -5.838 -0.663 1.00 0.00 C ATOM 539 O LEU B 36 1.543 -5.246 -1.117 1.00 0.00 O ATOM 540 CB LEU B 36 2.932 -4.157 1.139 1.00 0.00 C ATOM 541 CG LEU B 36 2.483 -4.781 2.471 1.00 0.00 C ATOM 542 CD1 LEU B 36 1.282 -5.697 2.277 1.00 0.00 C ATOM 543 CD2 LEU B 36 3.628 -5.547 3.123 1.00 0.00 C ATOM 0 H LEU B 36 3.968 -3.846 -1.458 1.00 0.00 H new ATOM 0 HA LEU B 36 4.157 -5.828 0.733 1.00 0.00 H new ATOM 0 HB2 LEU B 36 3.640 -3.356 1.354 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.066 -3.697 0.663 1.00 0.00 H new ATOM 0 HG LEU B 36 2.186 -3.966 3.131 1.00 0.00 H new ATOM 0 HD11 LEU B 36 0.990 -6.122 3.237 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.451 -5.125 1.865 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.545 -6.501 1.589 1.00 0.00 H new ATOM 0 HD21 LEU B 36 3.287 -5.980 4.064 1.00 0.00 H new ATOM 0 HD22 LEU B 36 3.959 -6.343 2.456 1.00 0.00 H new ATOM 0 HD23 LEU B 36 4.458 -4.867 3.316 1.00 0.00 H new ATOM 555 N LYS B 37 2.748 -7.112 -0.857 1.00 0.00 N ATOM 556 CA LYS B 37 1.865 -7.920 -1.661 1.00 0.00 C ATOM 557 C LYS B 37 0.910 -8.643 -0.745 1.00 0.00 C ATOM 558 O LYS B 37 1.278 -9.004 0.367 1.00 0.00 O ATOM 559 CB LYS B 37 2.647 -8.935 -2.492 1.00 0.00 C ATOM 560 CG LYS B 37 3.932 -8.387 -3.092 1.00 0.00 C ATOM 561 CD LYS B 37 4.597 -9.376 -4.040 1.00 0.00 C ATOM 562 CE LYS B 37 5.082 -10.638 -3.334 1.00 0.00 C ATOM 563 NZ LYS B 37 4.001 -11.646 -3.134 1.00 0.00 N1+ ATOM 0 H LYS B 37 3.543 -7.617 -0.466 1.00 0.00 H new ATOM 0 HA LYS B 37 1.321 -7.273 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS B 37 2.888 -9.793 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS B 37 2.009 -9.298 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS B 37 3.714 -7.463 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS B 37 4.625 -8.134 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS B 37 3.891 -9.652 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS B 37 5.442 -8.891 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS B 37 5.887 -11.087 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.502 -10.367 -2.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 4.369 -12.596 -3.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 3.672 -11.611 -2.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 3.207 -11.434 -3.771 1.00 0.00 H new ATOM 577 N ALA B 38 -0.302 -8.850 -1.199 1.00 0.00 N ATOM 578 CA ALA B 38 -1.304 -9.502 -0.397 1.00 0.00 C ATOM 579 C ALA B 38 -2.548 -9.752 -1.226 1.00 0.00 C ATOM 580 O ALA B 38 -2.914 -8.936 -2.071 1.00 0.00 O ATOM 581 CB ALA B 38 -1.628 -8.661 0.828 1.00 0.00 C ATOM 0 H ALA B 38 -0.619 -8.573 -2.128 1.00 0.00 H new ATOM 0 HA ALA B 38 -0.918 -10.463 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.387 -9.166 1.426 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -0.726 -8.526 1.425 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -2.003 -7.688 0.512 1.00 0.00 H new ATOM 587 N THR B 39 -3.188 -10.880 -0.996 1.00 0.00 N ATOM 588 CA THR B 39 -4.412 -11.197 -1.702 1.00 0.00 C ATOM 589 C THR B 39 -5.576 -10.723 -0.862 1.00 0.00 C ATOM 590 O THR B 39 -5.422 -10.539 0.337 1.00 0.00 O ATOM 591 CB THR B 39 -4.534 -12.702 -1.975 1.00 0.00 C ATOM 592 OG1 THR B 39 -3.286 -13.352 -1.684 1.00 0.00 O ATOM 593 CG2 THR B 39 -4.899 -12.947 -3.426 1.00 0.00 C ATOM 0 H THR B 39 -2.883 -11.589 -0.329 1.00 0.00 H new ATOM 0 HA THR B 39 -4.407 -10.696 -2.670 1.00 0.00 H new ATOM 0 HB THR B 39 -5.318 -13.109 -1.336 1.00 0.00 H new ATOM 0 HG1 THR B 39 -3.369 -14.313 -1.858 1.00 0.00 H new ATOM 0 HG21 THR B 39 -4.982 -14.019 -3.604 1.00 0.00 H new ATOM 0 HG22 THR B 39 -5.853 -12.468 -3.647 1.00 0.00 H new ATOM 0 HG23 THR B 39 -4.125 -12.531 -4.071 1.00 0.00 H new ATOM 601 N SER B 40 -6.728 -10.522 -1.456 1.00 0.00 N ATOM 602 CA SER B 40 -7.804 -9.883 -0.728 1.00 0.00 C ATOM 603 C SER B 40 -9.177 -10.344 -1.191 1.00 0.00 C ATOM 604 O SER B 40 -9.361 -10.734 -2.345 1.00 0.00 O ATOM 605 CB SER B 40 -7.662 -8.370 -0.864 1.00 0.00 C ATOM 606 OG SER B 40 -7.430 -8.004 -2.211 1.00 0.00 O ATOM 0 H SER B 40 -6.945 -10.783 -2.418 1.00 0.00 H new ATOM 0 HA SER B 40 -7.726 -10.172 0.320 1.00 0.00 H new ATOM 0 HB2 SER B 40 -8.566 -7.882 -0.501 1.00 0.00 H new ATOM 0 HB3 SER B 40 -6.839 -8.020 -0.241 1.00 0.00 H new ATOM 0 HG SER B 40 -7.886 -8.636 -2.805 1.00 0.00 H new ATOM 612 N SER B 41 -10.132 -10.312 -0.273 1.00 0.00 N ATOM 613 CA SER B 41 -11.501 -10.678 -0.581 1.00 0.00 C ATOM 614 C SER B 41 -12.474 -9.609 -0.097 1.00 0.00 C ATOM 615 O SER B 41 -12.318 -9.040 0.989 1.00 0.00 O ATOM 616 CB SER B 41 -11.814 -12.043 0.021 1.00 0.00 C ATOM 617 OG SER B 41 -10.884 -12.365 1.041 1.00 0.00 O ATOM 0 H SER B 41 -9.979 -10.034 0.696 1.00 0.00 H new ATOM 0 HA SER B 41 -11.618 -10.746 -1.663 1.00 0.00 H new ATOM 0 HB2 SER B 41 -12.824 -12.043 0.430 1.00 0.00 H new ATOM 0 HB3 SER B 41 -11.786 -12.805 -0.758 1.00 0.00 H new ATOM 0 HG SER B 41 -10.900 -13.331 1.205 1.00 0.00 H new ATOM 623 N ASN B 42 -13.487 -9.363 -0.910 1.00 0.00 N ATOM 624 CA ASN B 42 -14.394 -8.240 -0.723 1.00 0.00 C ATOM 625 C ASN B 42 -15.638 -8.639 0.055 1.00 0.00 C ATOM 626 O ASN B 42 -16.750 -8.229 -0.278 1.00 0.00 O ATOM 627 CB ASN B 42 -14.797 -7.667 -2.083 1.00 0.00 C ATOM 628 CG ASN B 42 -13.865 -6.572 -2.558 1.00 0.00 C ATOM 629 OD1 ASN B 42 -12.819 -6.833 -3.154 1.00 0.00 O ATOM 630 ND2 ASN B 42 -14.254 -5.334 -2.319 1.00 0.00 N ATOM 0 H ASN B 42 -13.706 -9.939 -1.723 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.867 -7.483 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -14.812 -8.470 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.811 -7.273 -2.020 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -13.681 -4.550 -2.631 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -15.128 -5.161 -1.822 1.00 0.00 H new ATOM 637 N ALA B 43 -15.444 -9.444 1.086 1.00 0.00 N ATOM 638 CA ALA B 43 -16.556 -9.874 1.931 1.00 0.00 C ATOM 639 C ALA B 43 -17.159 -8.701 2.687 1.00 0.00 C ATOM 640 O ALA B 43 -18.335 -8.378 2.528 1.00 0.00 O ATOM 641 CB ALA B 43 -16.110 -10.960 2.898 1.00 0.00 C ATOM 0 H ALA B 43 -14.534 -9.814 1.361 1.00 0.00 H new ATOM 0 HA ALA B 43 -17.327 -10.287 1.280 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -16.954 -11.265 3.517 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -15.743 -11.819 2.336 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -15.313 -10.575 3.535 1.00 0.00 H new ATOM 647 N GLY B 44 -16.337 -8.064 3.493 1.00 0.00 N ATOM 648 CA GLY B 44 -16.767 -6.893 4.235 1.00 0.00 C ATOM 649 C GLY B 44 -16.256 -5.613 3.608 1.00 0.00 C ATOM 650 O GLY B 44 -16.952 -4.600 3.600 1.00 0.00 O ATOM 0 H GLY B 44 -15.367 -8.335 3.653 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -17.856 -6.868 4.276 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.410 -6.962 5.263 1.00 0.00 H new ATOM 654 N TYR B 45 -15.036 -5.693 3.071 1.00 0.00 N ATOM 655 CA TYR B 45 -14.360 -4.605 2.366 1.00 0.00 C ATOM 656 C TYR B 45 -14.372 -3.266 3.124 1.00 0.00 C ATOM 657 O TYR B 45 -14.621 -3.224 4.324 1.00 0.00 O ATOM 658 CB TYR B 45 -14.891 -4.469 0.936 1.00 0.00 C ATOM 659 CG TYR B 45 -16.276 -3.839 0.783 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.443 -2.459 0.732 1.00 0.00 C ATOM 661 CD2 TYR B 45 -17.412 -4.632 0.674 1.00 0.00 C ATOM 662 CE1 TYR B 45 -17.690 -1.888 0.585 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.668 -4.067 0.527 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.799 -2.695 0.483 1.00 0.00 C ATOM 665 OH TYR B 45 -20.043 -2.125 0.340 1.00 0.00 O ATOM 0 H TYR B 45 -14.475 -6.544 3.117 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.307 -4.882 2.313 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -14.180 -3.875 0.362 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.915 -5.461 0.484 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.576 -1.820 0.809 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -17.314 -5.707 0.704 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -17.795 -0.814 0.550 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -19.541 -4.698 0.447 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.721 -2.830 0.281 1.00 0.00 H new ATOM 675 N GLY B 46 -14.028 -2.180 2.427 1.00 0.00 N ATOM 676 CA GLY B 46 -13.919 -0.884 3.058 1.00 0.00 C ATOM 677 C GLY B 46 -15.260 -0.206 3.292 1.00 0.00 C ATOM 678 O GLY B 46 -15.817 0.411 2.386 1.00 0.00 O ATOM 0 H GLY B 46 -13.823 -2.183 1.428 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.407 -0.996 4.013 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -13.298 -0.238 2.437 1.00 0.00 H new ATOM 682 N ILE B 47 -15.782 -0.329 4.507 1.00 0.00 N ATOM 683 CA ILE B 47 -17.012 0.366 4.882 1.00 0.00 C ATOM 684 C ILE B 47 -16.693 1.481 5.854 1.00 0.00 C ATOM 685 O ILE B 47 -17.041 2.639 5.636 1.00 0.00 O ATOM 686 CB ILE B 47 -18.048 -0.543 5.578 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.823 -2.019 5.270 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.450 -0.128 5.173 1.00 0.00 C ATOM 689 CD1 ILE B 47 -16.863 -2.697 6.225 1.00 0.00 C ATOM 0 H ILE B 47 -15.376 -0.901 5.248 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.438 0.732 3.948 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.925 -0.419 6.654 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -18.781 -2.538 5.301 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.441 -2.116 4.254 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -20.177 -0.773 5.667 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -19.623 0.907 5.468 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -19.559 -0.220 4.092 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.751 -3.745 5.946 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -15.893 -2.203 6.177 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -17.254 -2.632 7.241 1.00 0.00 H new ATOM 701 N SER B 48 -16.045 1.084 6.941 1.00 0.00 N ATOM 702 CA SER B 48 -15.653 1.971 8.032 1.00 0.00 C ATOM 703 C SER B 48 -15.158 3.335 7.560 1.00 0.00 C ATOM 704 O SER B 48 -15.693 4.374 7.943 1.00 0.00 O ATOM 705 CB SER B 48 -14.555 1.282 8.824 1.00 0.00 C ATOM 706 OG SER B 48 -15.001 0.026 9.301 1.00 0.00 O ATOM 0 H SER B 48 -15.770 0.114 7.094 1.00 0.00 H new ATOM 0 HA SER B 48 -16.537 2.161 8.640 1.00 0.00 H new ATOM 0 HB2 SER B 48 -13.675 1.147 8.195 1.00 0.00 H new ATOM 0 HB3 SER B 48 -14.254 1.910 9.663 1.00 0.00 H new ATOM 0 HG SER B 48 -14.282 -0.406 9.808 1.00 0.00 H new ATOM 712 N TYR B 49 -14.141 3.312 6.725 1.00 0.00 N ATOM 713 CA TYR B 49 -13.465 4.525 6.281 1.00 0.00 C ATOM 714 C TYR B 49 -14.229 5.228 5.162 1.00 0.00 C ATOM 715 O TYR B 49 -13.771 6.248 4.645 1.00 0.00 O ATOM 716 CB TYR B 49 -12.053 4.170 5.820 1.00 0.00 C ATOM 717 CG TYR B 49 -11.281 3.383 6.855 1.00 0.00 C ATOM 718 CD1 TYR B 49 -10.525 4.026 7.826 1.00 0.00 C ATOM 719 CD2 TYR B 49 -11.329 1.994 6.871 1.00 0.00 C ATOM 720 CE1 TYR B 49 -9.838 3.307 8.783 1.00 0.00 C ATOM 721 CE2 TYR B 49 -10.644 1.270 7.823 1.00 0.00 C ATOM 722 CZ TYR B 49 -9.902 1.930 8.776 1.00 0.00 C ATOM 723 OH TYR B 49 -9.226 1.210 9.729 1.00 0.00 O ATOM 0 H TYR B 49 -13.755 2.454 6.331 1.00 0.00 H new ATOM 0 HA TYR B 49 -13.419 5.219 7.120 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -12.111 3.591 4.898 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -11.510 5.086 5.587 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -10.474 5.105 7.832 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -11.912 1.474 6.126 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -9.254 3.820 9.533 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -10.689 0.191 7.821 1.00 0.00 H new ATOM 0 HH TYR B 49 -9.833 0.558 10.138 1.00 0.00 H new ATOM 733 N GLU B 50 -15.408 4.699 4.840 1.00 0.00 N ATOM 734 CA GLU B 50 -16.257 5.208 3.773 1.00 0.00 C ATOM 735 C GLU B 50 -15.499 5.384 2.465 1.00 0.00 C ATOM 736 O GLU B 50 -15.291 4.426 1.723 1.00 0.00 O ATOM 737 CB GLU B 50 -16.885 6.523 4.197 1.00 0.00 C ATOM 738 CG GLU B 50 -17.829 6.393 5.367 1.00 0.00 C ATOM 739 CD GLU B 50 -18.480 7.707 5.732 1.00 0.00 C ATOM 740 OE1 GLU B 50 -19.374 8.160 4.990 1.00 0.00 O ATOM 741 OE2 GLU B 50 -18.100 8.299 6.761 1.00 0.00 O1- ATOM 0 H GLU B 50 -15.803 3.892 5.323 1.00 0.00 H new ATOM 0 HA GLU B 50 -17.038 4.469 3.594 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.094 7.227 4.456 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -17.425 6.948 3.351 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -18.602 5.662 5.127 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -17.284 6.009 6.229 1.00 0.00 H new ATOM 748 N ASP B 51 -15.074 6.609 2.201 1.00 0.00 N ATOM 749 CA ASP B 51 -14.369 6.918 0.969 1.00 0.00 C ATOM 750 C ASP B 51 -13.259 7.931 1.204 1.00 0.00 C ATOM 751 O ASP B 51 -13.516 9.083 1.550 1.00 0.00 O ATOM 752 CB ASP B 51 -15.334 7.455 -0.085 1.00 0.00 C ATOM 753 CG ASP B 51 -14.626 7.781 -1.382 1.00 0.00 C ATOM 754 OD1 ASP B 51 -13.987 6.875 -1.954 1.00 0.00 O ATOM 755 OD2 ASP B 51 -14.706 8.943 -1.835 1.00 0.00 O1- ATOM 0 H ASP B 51 -15.205 7.406 2.824 1.00 0.00 H new ATOM 0 HA ASP B 51 -13.923 5.991 0.610 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -16.114 6.718 -0.272 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.826 8.350 0.295 1.00 0.00 H new ATOM 760 N LYS B 52 -12.028 7.483 1.031 1.00 0.00 N ATOM 761 CA LYS B 52 -10.863 8.353 1.119 1.00 0.00 C ATOM 762 C LYS B 52 -9.893 8.004 0.009 1.00 0.00 C ATOM 763 O LYS B 52 -9.751 6.831 -0.336 1.00 0.00 O ATOM 764 CB LYS B 52 -10.142 8.175 2.447 1.00 0.00 C ATOM 765 CG LYS B 52 -11.001 8.426 3.673 1.00 0.00 C ATOM 766 CD LYS B 52 -10.186 8.286 4.947 1.00 0.00 C ATOM 767 CE LYS B 52 -11.026 8.571 6.177 1.00 0.00 C ATOM 768 NZ LYS B 52 -10.216 8.534 7.421 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.806 6.509 0.826 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.206 9.384 1.032 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.748 7.160 2.498 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.287 8.851 2.474 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.432 9.426 3.621 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -11.832 7.721 3.690 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -9.777 7.278 5.010 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -9.339 8.972 4.916 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -11.495 9.550 6.078 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -11.830 7.838 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -10.827 8.734 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -9.789 7.592 7.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -9.464 9.251 7.367 1.00 0.00 H new ATOM 782 N ASN B 53 -9.237 9.006 -0.548 1.00 0.00 N ATOM 783 CA ASN B 53 -8.236 8.775 -1.580 1.00 0.00 C ATOM 784 C ASN B 53 -6.855 9.137 -1.077 1.00 0.00 C ATOM 785 O ASN B 53 -6.584 10.289 -0.728 1.00 0.00 O ATOM 786 CB ASN B 53 -8.545 9.550 -2.871 1.00 0.00 C ATOM 787 CG ASN B 53 -9.295 10.849 -2.636 1.00 0.00 C ATOM 788 OD1 ASN B 53 -10.526 10.869 -2.628 1.00 0.00 O ATOM 789 ND2 ASN B 53 -8.570 11.942 -2.460 1.00 0.00 N ATOM 0 H ASN B 53 -9.377 9.987 -0.305 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.264 7.711 -1.817 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.610 9.768 -3.386 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.133 8.915 -3.534 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -9.030 12.840 -2.311 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.552 11.886 -2.473 1.00 0.00 H new ATOM 796 N TRP B 54 -5.985 8.147 -1.031 1.00 0.00 N ATOM 797 CA TRP B 54 -4.608 8.368 -0.666 1.00 0.00 C ATOM 798 C TRP B 54 -3.713 7.684 -1.686 1.00 0.00 C ATOM 799 O TRP B 54 -4.177 6.856 -2.473 1.00 0.00 O ATOM 800 CB TRP B 54 -4.330 7.881 0.760 1.00 0.00 C ATOM 801 CG TRP B 54 -4.393 6.401 0.953 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.509 5.643 1.160 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.281 5.503 0.986 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.159 4.326 1.317 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.793 4.214 1.212 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.898 5.665 0.841 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -2.970 3.096 1.300 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.087 4.554 0.927 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.624 3.283 1.153 1.00 0.00 C ATOM 0 H TRP B 54 -6.214 7.176 -1.244 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.394 9.437 -0.673 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.341 8.228 1.058 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.048 8.349 1.433 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.519 6.024 1.195 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.806 3.556 1.484 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.474 6.643 0.665 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.381 2.113 1.478 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.018 4.667 0.818 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -0.962 2.432 1.213 1.00 0.00 H new ATOM 820 N GLY B 55 -2.445 8.039 -1.694 1.00 0.00 N ATOM 821 CA GLY B 55 -1.557 7.538 -2.712 1.00 0.00 C ATOM 822 C GLY B 55 -0.343 6.860 -2.134 1.00 0.00 C ATOM 823 O GLY B 55 0.113 7.215 -1.046 1.00 0.00 O ATOM 0 H GLY B 55 -2.014 8.665 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.096 6.833 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.240 8.362 -3.351 1.00 0.00 H new ATOM 827 N ILE B 56 0.167 5.868 -2.839 1.00 0.00 N ATOM 828 CA ILE B 56 1.444 5.286 -2.492 1.00 0.00 C ATOM 829 C ILE B 56 2.506 5.859 -3.416 1.00 0.00 C ATOM 830 O ILE B 56 2.208 6.230 -4.558 1.00 0.00 O ATOM 831 CB ILE B 56 1.433 3.754 -2.618 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.126 3.185 -2.078 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.614 3.157 -1.863 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.110 1.750 -2.486 1.00 0.00 C ATOM 0 H ILE B 56 -0.284 5.451 -3.653 1.00 0.00 H new ATOM 0 HA ILE B 56 1.659 5.529 -1.451 1.00 0.00 H new ATOM 0 HB ILE B 56 1.518 3.492 -3.673 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.130 3.251 -0.990 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.703 3.798 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.596 2.071 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.545 3.543 -2.279 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.547 3.429 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.056 1.404 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.145 1.682 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.701 1.127 -2.110 1.00 0.00 H new ATOM 846 N PHE B 57 3.728 5.950 -2.926 1.00 0.00 N ATOM 847 CA PHE B 57 4.800 6.599 -3.669 1.00 0.00 C ATOM 848 C PHE B 57 6.037 5.720 -3.729 1.00 0.00 C ATOM 849 O PHE B 57 6.386 5.085 -2.747 1.00 0.00 O ATOM 850 CB PHE B 57 5.089 7.954 -3.017 1.00 0.00 C ATOM 851 CG PHE B 57 3.832 8.770 -2.936 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.401 9.497 -4.030 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.041 8.744 -1.801 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.211 10.195 -3.990 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.845 9.427 -1.763 1.00 0.00 C ATOM 856 CZ PHE B 57 1.428 10.154 -2.855 1.00 0.00 C ATOM 0 H PHE B 57 4.007 5.583 -2.016 1.00 0.00 H new ATOM 0 HA PHE B 57 4.492 6.760 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.499 7.805 -2.018 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.842 8.490 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE B 57 4.003 9.519 -4.927 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.364 8.183 -0.937 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.893 10.772 -4.846 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.233 9.392 -0.874 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.491 10.690 -2.823 1.00 0.00 H new ATOM 866 N VAL B 58 6.689 5.671 -4.892 1.00 0.00 N ATOM 867 CA VAL B 58 7.863 4.843 -5.060 1.00 0.00 C ATOM 868 C VAL B 58 9.030 5.717 -5.481 1.00 0.00 C ATOM 869 O VAL B 58 8.893 6.561 -6.367 1.00 0.00 O ATOM 870 CB VAL B 58 7.627 3.708 -6.086 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.390 4.258 -7.487 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.789 2.725 -6.077 1.00 0.00 C ATOM 0 H VAL B 58 6.418 6.196 -5.723 1.00 0.00 H new ATOM 0 HA VAL B 58 8.089 4.363 -4.108 1.00 0.00 H new ATOM 0 HB VAL B 58 6.724 3.175 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.228 3.432 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.512 4.904 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.260 4.832 -7.804 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.603 1.935 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.710 3.248 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.887 2.287 -5.084 1.00 0.00 H new ATOM 882 N ASN B 59 10.167 5.544 -4.809 1.00 0.00 N ATOM 883 CA ASN B 59 11.349 6.381 -5.020 1.00 0.00 C ATOM 884 C ASN B 59 11.033 7.824 -4.635 1.00 0.00 C ATOM 885 O ASN B 59 11.832 8.732 -4.854 1.00 0.00 O ATOM 886 CB ASN B 59 11.831 6.334 -6.475 1.00 0.00 C ATOM 887 CG ASN B 59 11.712 4.960 -7.107 1.00 0.00 C ATOM 888 OD1 ASN B 59 10.646 4.766 -7.868 1.00 0.00 O flip ATOM 889 ND2 ASN B 59 12.573 4.098 -6.937 1.00 0.00 N flip ATOM 0 H ASN B 59 10.296 4.820 -4.102 1.00 0.00 H new ATOM 0 HA ASN B 59 12.148 5.990 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN B 59 11.254 7.047 -7.064 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.872 6.655 -6.515 1.00 0.00 H new ATOM 0 HD21 ASN B 59 13.378 4.292 -6.342 1.00 0.00 H new ATOM 0 HD22 ASN B 59 12.482 3.189 -7.392 1.00 0.00 H new ATOM 896 N GLY B 60 9.860 8.014 -4.047 1.00 0.00 N ATOM 897 CA GLY B 60 9.407 9.330 -3.686 1.00 0.00 C ATOM 898 C GLY B 60 8.302 9.830 -4.603 1.00 0.00 C ATOM 899 O GLY B 60 7.573 10.763 -4.266 1.00 0.00 O ATOM 0 H GLY B 60 9.210 7.264 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.046 9.318 -2.658 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.247 10.024 -3.721 1.00 0.00 H new ATOM 903 N GLU B 61 8.170 9.189 -5.754 1.00 0.00 N ATOM 904 CA GLU B 61 7.211 9.572 -6.769 1.00 0.00 C ATOM 905 C GLU B 61 5.917 8.826 -6.567 1.00 0.00 C ATOM 906 O GLU B 61 5.878 7.909 -5.786 1.00 0.00 O ATOM 907 CB GLU B 61 7.772 9.202 -8.128 1.00 0.00 C ATOM 908 CG GLU B 61 8.616 10.281 -8.776 1.00 0.00 C ATOM 909 CD GLU B 61 9.681 10.851 -7.861 1.00 0.00 C ATOM 910 OE1 GLU B 61 10.768 10.243 -7.752 1.00 0.00 O ATOM 911 OE2 GLU B 61 9.443 11.920 -7.261 1.00 0.00 O1- ATOM 0 H GLU B 61 8.735 8.379 -6.009 1.00 0.00 H new ATOM 0 HA GLU B 61 7.025 10.644 -6.703 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.375 8.300 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.945 8.957 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU B 61 9.095 9.871 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU B 61 7.965 11.089 -9.109 1.00 0.00 H new ATOM 918 N LYS B 62 4.873 9.195 -7.278 1.00 0.00 N ATOM 919 CA LYS B 62 3.641 8.415 -7.264 1.00 0.00 C ATOM 920 C LYS B 62 3.934 6.966 -7.661 1.00 0.00 C ATOM 921 O LYS B 62 4.978 6.668 -8.244 1.00 0.00 O ATOM 922 CB LYS B 62 2.628 9.037 -8.230 1.00 0.00 C ATOM 923 CG LYS B 62 1.248 8.404 -8.179 1.00 0.00 C ATOM 924 CD LYS B 62 0.475 8.855 -6.952 1.00 0.00 C ATOM 925 CE LYS B 62 0.138 10.334 -7.027 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.837 10.628 -8.111 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.846 10.024 -7.872 1.00 0.00 H new ATOM 0 HA LYS B 62 3.222 8.421 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.536 10.100 -8.007 1.00 0.00 H new ATOM 0 HB3 LYS B 62 3.015 8.956 -9.246 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.692 8.668 -9.078 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.344 7.318 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.443 8.274 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.064 8.659 -6.056 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.272 10.661 -6.072 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.051 10.906 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -1.220 11.587 -7.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.360 10.566 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.614 9.938 -8.076 1.00 0.00 H new ATOM 940 N VAL B 63 3.054 6.063 -7.279 1.00 0.00 N ATOM 941 CA VAL B 63 3.090 4.712 -7.807 1.00 0.00 C ATOM 942 C VAL B 63 1.676 4.174 -7.957 1.00 0.00 C ATOM 943 O VAL B 63 1.440 3.228 -8.708 1.00 0.00 O ATOM 944 CB VAL B 63 3.931 3.749 -6.931 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.232 3.427 -5.621 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.253 2.473 -7.693 1.00 0.00 C ATOM 0 H VAL B 63 2.307 6.238 -6.607 1.00 0.00 H new ATOM 0 HA VAL B 63 3.574 4.764 -8.782 1.00 0.00 H new ATOM 0 HB VAL B 63 4.865 4.256 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL B 63 3.852 2.749 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.069 4.347 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.272 2.953 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.844 1.811 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.326 1.974 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.820 2.719 -8.591 1.00 0.00 H new ATOM 956 N TYR B 64 0.721 4.796 -7.265 1.00 0.00 N ATOM 957 CA TYR B 64 -0.643 4.290 -7.281 1.00 0.00 C ATOM 958 C TYR B 64 -1.615 5.262 -6.610 1.00 0.00 C ATOM 959 O TYR B 64 -1.227 6.048 -5.744 1.00 0.00 O ATOM 960 CB TYR B 64 -0.669 2.933 -6.579 1.00 0.00 C ATOM 961 CG TYR B 64 -1.878 2.073 -6.866 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.649 2.225 -8.017 1.00 0.00 C ATOM 963 CD2 TYR B 64 -2.232 1.083 -5.973 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.739 1.410 -8.253 1.00 0.00 C ATOM 965 CE2 TYR B 64 -3.311 0.268 -6.201 1.00 0.00 C ATOM 966 CZ TYR B 64 -4.066 0.431 -7.343 1.00 0.00 C ATOM 967 OH TYR B 64 -5.153 -0.380 -7.574 1.00 0.00 O ATOM 0 H TYR B 64 0.865 5.632 -6.699 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.968 4.182 -8.316 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.225 2.379 -6.865 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.611 3.099 -5.503 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.391 2.990 -8.734 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -1.647 0.947 -5.075 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.331 1.540 -9.147 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -3.569 -0.500 -5.487 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.226 -0.563 -8.534 1.00 0.00 H new ATOM 977 N THR B 65 -2.872 5.199 -7.037 1.00 0.00 N ATOM 978 CA THR B 65 -3.945 6.025 -6.496 1.00 0.00 C ATOM 979 C THR B 65 -5.210 5.179 -6.335 1.00 0.00 C ATOM 980 O THR B 65 -5.542 4.402 -7.234 1.00 0.00 O ATOM 981 CB THR B 65 -4.242 7.206 -7.443 1.00 0.00 C ATOM 982 OG1 THR B 65 -3.049 7.977 -7.651 1.00 0.00 O ATOM 983 CG2 THR B 65 -5.342 8.097 -6.893 1.00 0.00 C ATOM 0 H THR B 65 -3.177 4.566 -7.776 1.00 0.00 H new ATOM 0 HA THR B 65 -3.633 6.415 -5.527 1.00 0.00 H new ATOM 0 HB THR B 65 -4.584 6.796 -8.393 1.00 0.00 H new ATOM 0 HG1 THR B 65 -3.244 8.724 -8.254 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.525 8.919 -7.586 1.00 0.00 H new ATOM 0 HG22 THR B 65 -6.255 7.515 -6.771 1.00 0.00 H new ATOM 0 HG23 THR B 65 -5.036 8.498 -5.927 1.00 0.00 H new ATOM 991 N PHE B 66 -5.909 5.307 -5.202 1.00 0.00 N ATOM 992 CA PHE B 66 -7.081 4.499 -4.942 1.00 0.00 C ATOM 993 C PHE B 66 -7.855 5.011 -3.741 1.00 0.00 C ATOM 994 O PHE B 66 -7.333 5.737 -2.894 1.00 0.00 O ATOM 995 CB PHE B 66 -6.698 3.040 -4.739 1.00 0.00 C ATOM 996 CG PHE B 66 -5.657 2.770 -3.699 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.310 2.948 -3.957 1.00 0.00 C ATOM 998 CD2 PHE B 66 -6.041 2.256 -2.482 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.367 2.609 -3.011 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.110 1.923 -1.527 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.767 2.093 -1.795 1.00 0.00 C ATOM 0 H PHE B 66 -5.675 5.965 -4.458 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.728 4.573 -5.816 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.597 2.483 -4.477 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.343 2.643 -5.690 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -3.995 3.355 -4.906 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -7.091 2.112 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.317 2.747 -3.221 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -5.428 1.531 -0.572 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.030 1.822 -1.054 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.112 4.632 -3.714 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.039 5.020 -2.663 1.00 0.00 C ATOM 1013 C ASN B 67 -10.483 3.827 -1.824 1.00 0.00 C ATOM 1014 O ASN B 67 -10.532 2.694 -2.304 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.262 5.698 -3.280 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.048 7.178 -3.499 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -10.512 7.598 -4.523 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.498 7.979 -2.547 1.00 0.00 N ATOM 0 H ASN B 67 -9.530 4.037 -4.429 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.519 5.714 -2.003 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.497 5.222 -4.232 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.124 5.550 -2.629 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -11.407 8.990 -2.646 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.936 7.585 -1.714 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.812 4.105 -0.566 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.291 3.092 0.374 1.00 0.00 C ATOM 1027 C GLU B 68 -12.603 2.460 -0.101 1.00 0.00 C ATOM 1028 O GLU B 68 -12.789 1.247 -0.010 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.489 3.733 1.747 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.205 4.270 2.358 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.294 3.166 2.852 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -9.557 2.630 3.944 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -8.313 2.822 2.159 1.00 0.00 O ATOM 0 H GLU B 68 -10.754 5.042 -0.167 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.545 2.300 0.436 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.208 4.548 1.658 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.923 2.997 2.423 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.676 4.869 1.617 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.450 4.933 3.188 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.504 3.301 -0.600 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.775 2.863 -1.176 1.00 0.00 C ATOM 1042 C LYS B 69 -14.526 1.944 -2.351 1.00 0.00 C ATOM 1043 O LYS B 69 -15.272 1.004 -2.612 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.543 4.064 -1.698 1.00 0.00 C ATOM 1045 CG LYS B 69 -17.026 3.799 -1.911 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.775 3.760 -0.587 1.00 0.00 C ATOM 1047 CE LYS B 69 -19.238 3.393 -0.778 1.00 0.00 C ATOM 1048 NZ LYS B 69 -19.404 1.990 -1.245 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.374 4.312 -0.617 1.00 0.00 H new ATOM 0 HA LYS B 69 -15.339 2.347 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.428 4.890 -0.996 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.101 4.384 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.449 4.576 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.157 2.852 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.302 3.036 0.077 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.705 4.733 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.771 3.527 0.163 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -19.691 4.072 -1.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -20.404 1.715 -1.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.099 1.916 -2.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -18.825 1.357 -0.656 1.00 0.00 H new ATOM 1062 N SER B 70 -13.477 2.264 -3.077 1.00 0.00 N ATOM 1063 CA SER B 70 -13.061 1.510 -4.223 1.00 0.00 C ATOM 1064 C SER B 70 -12.490 0.149 -3.787 1.00 0.00 C ATOM 1065 O SER B 70 -12.272 -0.749 -4.600 1.00 0.00 O ATOM 1066 CB SER B 70 -12.054 2.371 -4.972 1.00 0.00 C ATOM 1067 OG SER B 70 -12.692 3.494 -5.559 1.00 0.00 O ATOM 0 H SER B 70 -12.884 3.070 -2.878 1.00 0.00 H new ATOM 0 HA SER B 70 -13.894 1.277 -4.886 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.275 2.706 -4.288 1.00 0.00 H new ATOM 0 HB3 SER B 70 -11.566 1.778 -5.746 1.00 0.00 H new ATOM 0 HG SER B 70 -12.028 4.036 -6.034 1.00 0.00 H new ATOM 1073 N THR B 71 -12.295 0.037 -2.468 1.00 0.00 N ATOM 1074 CA THR B 71 -11.953 -1.182 -1.752 1.00 0.00 C ATOM 1075 C THR B 71 -10.589 -1.731 -2.124 1.00 0.00 C ATOM 1076 O THR B 71 -10.308 -2.038 -3.281 1.00 0.00 O ATOM 1077 CB THR B 71 -13.020 -2.277 -1.891 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.919 -2.936 -3.160 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.416 -1.705 -1.734 1.00 0.00 C ATOM 0 H THR B 71 -12.378 0.841 -1.845 1.00 0.00 H new ATOM 0 HA THR B 71 -11.914 -0.882 -0.705 1.00 0.00 H new ATOM 0 HB THR B 71 -12.842 -3.002 -1.097 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.336 -2.417 -3.753 1.00 0.00 H new ATOM 0 HG21 THR B 71 -15.150 -2.504 -1.837 1.00 0.00 H new ATOM 0 HG22 THR B 71 -14.513 -1.248 -0.749 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.589 -0.952 -2.502 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.756 -1.900 -1.102 1.00 0.00 N ATOM 1088 CA VAL B 72 -8.366 -2.282 -1.288 1.00 0.00 C ATOM 1089 C VAL B 72 -8.229 -3.684 -1.902 1.00 0.00 C ATOM 1090 O VAL B 72 -7.129 -4.112 -2.237 1.00 0.00 O ATOM 1091 CB VAL B 72 -7.588 -2.214 0.047 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -7.895 -0.914 0.775 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -7.904 -3.418 0.928 1.00 0.00 C ATOM 0 H VAL B 72 -10.027 -1.776 -0.126 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.935 -1.566 -1.988 1.00 0.00 H new ATOM 0 HB VAL B 72 -6.522 -2.239 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -7.340 -0.882 1.712 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -7.602 -0.070 0.151 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -8.963 -0.858 0.984 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -7.343 -3.344 1.860 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -8.972 -3.438 1.147 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -7.623 -4.334 0.407 1.00 0.00 H new ATOM 1103 N GLY B 73 -9.355 -4.377 -2.063 1.00 0.00 N ATOM 1104 CA GLY B 73 -9.344 -5.726 -2.604 1.00 0.00 C ATOM 1105 C GLY B 73 -8.925 -5.783 -4.066 1.00 0.00 C ATOM 1106 O GLY B 73 -7.989 -6.495 -4.428 1.00 0.00 O ATOM 0 H GLY B 73 -10.282 -4.024 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -8.665 -6.341 -2.014 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -10.339 -6.160 -2.501 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.610 -5.035 -4.919 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.259 -5.008 -6.339 1.00 0.00 C ATOM 1112 C ASN B 74 -7.975 -4.219 -6.518 1.00 0.00 C ATOM 1113 O ASN B 74 -7.236 -4.385 -7.489 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.378 -4.378 -7.174 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.690 -5.100 -7.041 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -11.940 -6.108 -7.703 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.556 -4.559 -6.206 1.00 0.00 N ATOM 0 H ASN B 74 -10.402 -4.445 -4.662 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.119 -6.032 -6.684 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.509 -3.339 -6.870 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.080 -4.369 -8.222 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.479 -4.977 -6.087 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.303 -3.723 -5.679 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.735 -3.365 -5.548 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.572 -2.502 -5.506 1.00 0.00 C ATOM 1126 C ILE B 75 -5.282 -3.267 -5.281 1.00 0.00 C ATOM 1127 O ILE B 75 -4.331 -3.142 -6.050 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.773 -1.516 -4.368 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.009 -0.697 -4.682 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -5.548 -0.649 -4.159 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.361 0.325 -3.638 1.00 0.00 C ATOM 0 H ILE B 75 -8.356 -3.247 -4.748 1.00 0.00 H new ATOM 0 HA ILE B 75 -6.478 -2.002 -6.470 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.917 -2.048 -3.428 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -7.860 -0.188 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.854 -1.373 -4.810 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -5.729 0.044 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -4.692 -1.280 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -5.341 -0.086 -5.069 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.257 0.864 -3.944 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -8.545 -0.175 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.536 1.028 -3.524 1.00 0.00 H new ATOM 1143 N SER B 76 -5.263 -4.042 -4.211 1.00 0.00 N ATOM 1144 CA SER B 76 -4.078 -4.809 -3.826 1.00 0.00 C ATOM 1145 C SER B 76 -3.623 -5.676 -4.988 1.00 0.00 C ATOM 1146 O SER B 76 -2.429 -5.828 -5.241 1.00 0.00 O ATOM 1147 CB SER B 76 -4.369 -5.671 -2.592 1.00 0.00 C ATOM 1148 OG SER B 76 -3.182 -6.258 -2.082 1.00 0.00 O ATOM 0 H SER B 76 -6.059 -4.161 -3.585 1.00 0.00 H new ATOM 0 HA SER B 76 -3.278 -4.114 -3.571 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.835 -5.059 -1.820 1.00 0.00 H new ATOM 0 HB3 SER B 76 -5.082 -6.454 -2.852 1.00 0.00 H new ATOM 0 HG SER B 76 -3.282 -7.233 -2.060 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.598 -6.212 -5.709 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.350 -6.980 -6.920 1.00 0.00 C ATOM 1156 C ASN B 77 -3.440 -6.211 -7.864 1.00 0.00 C ATOM 1157 O ASN B 77 -2.450 -6.729 -8.382 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.670 -7.226 -7.628 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.567 -8.307 -8.684 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -4.799 -9.256 -8.544 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.328 -8.168 -9.755 1.00 0.00 N ATOM 0 H ASN B 77 -5.586 -6.126 -5.469 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.874 -7.921 -6.644 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.425 -7.509 -6.895 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.008 -6.300 -8.092 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.290 -8.862 -10.501 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -6.954 -7.366 -9.836 1.00 0.00 H new ATOM 1168 N ASP B 78 -3.809 -4.964 -8.083 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.047 -4.071 -8.950 1.00 0.00 C ATOM 1170 C ASP B 78 -1.673 -3.797 -8.371 1.00 0.00 C ATOM 1171 O ASP B 78 -0.667 -3.881 -9.069 1.00 0.00 O ATOM 1172 CB ASP B 78 -3.782 -2.750 -9.163 1.00 0.00 C ATOM 1173 CG ASP B 78 -4.936 -2.880 -10.130 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -4.875 -3.756 -11.018 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -5.907 -2.103 -10.010 1.00 0.00 O1- ATOM 0 H ASP B 78 -4.639 -4.538 -7.670 1.00 0.00 H new ATOM 0 HA ASP B 78 -2.935 -4.570 -9.912 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.154 -2.386 -8.205 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.081 -2.004 -9.537 1.00 0.00 H new ATOM 1180 N ILE B 79 -1.642 -3.483 -7.086 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.402 -3.210 -6.375 1.00 0.00 C ATOM 1182 C ILE B 79 0.612 -4.332 -6.577 1.00 0.00 C ATOM 1183 O ILE B 79 1.812 -4.086 -6.718 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.696 -3.029 -4.876 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -1.639 -1.863 -4.703 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.580 -2.831 -4.069 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -2.027 -1.585 -3.272 1.00 0.00 C ATOM 0 H ILE B 79 -2.477 -3.410 -6.505 1.00 0.00 H new ATOM 0 HA ILE B 79 0.029 -2.293 -6.777 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.164 -3.937 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.174 -0.970 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.543 -2.053 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.329 -2.707 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.225 -3.702 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.101 -1.942 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.705 -0.733 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -2.523 -2.460 -2.853 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.133 -1.361 -2.690 1.00 0.00 H new ATOM 1199 N ASN B 80 0.121 -5.558 -6.613 1.00 0.00 N ATOM 1200 CA ASN B 80 0.989 -6.719 -6.778 1.00 0.00 C ATOM 1201 C ASN B 80 1.479 -6.848 -8.220 1.00 0.00 C ATOM 1202 O ASN B 80 2.640 -7.189 -8.455 1.00 0.00 O ATOM 1203 CB ASN B 80 0.278 -8.009 -6.348 1.00 0.00 C ATOM 1204 CG ASN B 80 -0.309 -7.930 -4.946 1.00 0.00 C ATOM 1205 OD1 ASN B 80 0.213 -7.033 -4.119 1.00 0.00 O flip ATOM 1206 ND2 ASN B 80 -1.240 -8.662 -4.614 1.00 0.00 N flip ATOM 0 H ASN B 80 -0.871 -5.779 -6.531 1.00 0.00 H new ATOM 0 HA ASN B 80 1.854 -6.567 -6.133 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.520 -8.231 -7.057 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.984 -8.838 -6.393 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -1.616 -9.340 -5.276 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -1.636 -8.591 -3.677 1.00 0.00 H new ATOM 1213 N LYS B 81 0.610 -6.553 -9.187 1.00 0.00 N ATOM 1214 CA LYS B 81 0.970 -6.712 -10.597 1.00 0.00 C ATOM 1215 C LYS B 81 1.899 -5.592 -11.060 1.00 0.00 C ATOM 1216 O LYS B 81 2.624 -5.747 -12.038 1.00 0.00 O ATOM 1217 CB LYS B 81 -0.272 -6.751 -11.498 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.946 -5.402 -11.686 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.941 -5.410 -12.839 1.00 0.00 C ATOM 1220 CE LYS B 81 -3.041 -6.446 -12.652 1.00 0.00 C ATOM 1221 NZ LYS B 81 -3.854 -6.192 -11.433 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.336 -6.207 -9.024 1.00 0.00 H new ATOM 0 HA LYS B 81 1.492 -7.665 -10.682 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.013 -7.142 -12.475 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.993 -7.449 -11.074 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.461 -5.124 -10.766 1.00 0.00 H new ATOM 0 HG3 LYS B 81 -0.187 -4.641 -11.869 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -2.390 -4.421 -12.934 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -1.412 -5.611 -13.770 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -3.691 -6.444 -13.527 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -2.595 -7.439 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -4.737 -6.738 -11.485 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.317 -6.481 -10.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -4.077 -5.178 -11.370 1.00 0.00 H new ATOM 1235 N LEU B 82 1.890 -4.472 -10.342 1.00 0.00 N ATOM 1236 CA LEU B 82 2.707 -3.322 -10.700 1.00 0.00 C ATOM 1237 C LEU B 82 4.175 -3.675 -10.603 1.00 0.00 C ATOM 1238 O LEU B 82 5.019 -3.056 -11.255 1.00 0.00 O ATOM 1239 CB LEU B 82 2.404 -2.161 -9.755 1.00 0.00 C ATOM 1240 CG LEU B 82 1.544 -1.038 -10.333 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.311 -0.273 -11.399 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.243 -1.577 -10.903 1.00 0.00 C ATOM 0 H LEU B 82 1.322 -4.339 -9.505 1.00 0.00 H new ATOM 0 HA LEU B 82 2.475 -3.032 -11.725 1.00 0.00 H new ATOM 0 HB2 LEU B 82 1.904 -2.558 -8.872 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.349 -1.733 -9.421 1.00 0.00 H new ATOM 0 HG LEU B 82 1.298 -0.355 -9.520 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.682 0.523 -11.799 1.00 0.00 H new ATOM 0 HD12 LEU B 82 3.210 0.160 -10.960 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.592 -0.953 -12.204 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.346 -0.754 -11.306 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.462 -2.290 -11.698 1.00 0.00 H new ATOM 0 HD23 LEU B 82 -0.321 -2.075 -10.114 1.00 0.00 H new ATOM 1254 N ASN B 83 4.451 -4.706 -9.819 1.00 0.00 N ATOM 1255 CA ASN B 83 5.806 -5.081 -9.463 1.00 0.00 C ATOM 1256 C ASN B 83 6.598 -3.836 -9.069 1.00 0.00 C ATOM 1257 O ASN B 83 7.543 -3.424 -9.754 1.00 0.00 O ATOM 1258 CB ASN B 83 6.480 -5.831 -10.613 1.00 0.00 C ATOM 1259 CG ASN B 83 7.799 -6.463 -10.206 1.00 0.00 C ATOM 1260 OD1 ASN B 83 8.864 -5.858 -10.337 1.00 0.00 O ATOM 1261 ND2 ASN B 83 7.737 -7.689 -9.710 1.00 0.00 N ATOM 0 H ASN B 83 3.736 -5.308 -9.411 1.00 0.00 H new ATOM 0 HA ASN B 83 5.777 -5.756 -8.608 1.00 0.00 H new ATOM 0 HB2 ASN B 83 5.808 -6.607 -10.979 1.00 0.00 H new ATOM 0 HB3 ASN B 83 6.652 -5.142 -11.440 1.00 0.00 H new ATOM 0 HD21 ASN B 83 8.591 -8.166 -9.421 1.00 0.00 H new ATOM 0 HD22 ASN B 83 6.835 -8.157 -9.617 1.00 0.00 H new ATOM 1268 N ILE B 84 6.166 -3.223 -7.977 1.00 0.00 N ATOM 1269 CA ILE B 84 6.736 -1.976 -7.499 1.00 0.00 C ATOM 1270 C ILE B 84 8.201 -2.149 -7.121 1.00 0.00 C ATOM 1271 O ILE B 84 8.638 -3.231 -6.721 1.00 0.00 O ATOM 1272 CB ILE B 84 5.933 -1.471 -6.285 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.479 -1.307 -6.686 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.486 -0.153 -5.758 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.538 -1.223 -5.509 1.00 0.00 C ATOM 0 H ILE B 84 5.407 -3.580 -7.396 1.00 0.00 H new ATOM 0 HA ILE B 84 6.681 -1.243 -8.303 1.00 0.00 H new ATOM 0 HB ILE B 84 6.017 -2.204 -5.483 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.376 -0.405 -7.289 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.187 -2.147 -7.316 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.895 0.173 -4.902 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.523 -0.290 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.436 0.602 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.516 -1.106 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.613 -2.135 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE B 84 3.805 -0.366 -4.890 1.00 0.00 H new ATOM 1287 N LYS B 85 8.958 -1.083 -7.272 1.00 0.00 N ATOM 1288 CA LYS B 85 10.368 -1.103 -6.921 1.00 0.00 C ATOM 1289 C LYS B 85 10.544 -0.687 -5.469 1.00 0.00 C ATOM 1290 O LYS B 85 9.573 -0.359 -4.792 1.00 0.00 O ATOM 1291 CB LYS B 85 11.173 -0.186 -7.840 1.00 0.00 C ATOM 1292 CG LYS B 85 11.070 -0.557 -9.312 1.00 0.00 C ATOM 1293 CD LYS B 85 12.123 0.154 -10.150 1.00 0.00 C ATOM 1294 CE LYS B 85 13.458 -0.586 -10.148 1.00 0.00 C ATOM 1295 NZ LYS B 85 14.066 -0.686 -8.794 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.624 -0.190 -7.635 1.00 0.00 H new ATOM 0 HA LYS B 85 10.743 -2.119 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.829 0.840 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.220 -0.213 -7.539 1.00 0.00 H new ATOM 0 HG2 LYS B 85 11.184 -1.635 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS B 85 10.077 -0.301 -9.683 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.765 0.251 -11.175 1.00 0.00 H new ATOM 0 HD3 LYS B 85 12.269 1.164 -9.767 1.00 0.00 H new ATOM 0 HE2 LYS B 85 13.312 -1.589 -10.549 1.00 0.00 H new ATOM 0 HE3 LYS B 85 14.152 -0.074 -10.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 15.060 -0.978 -8.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 14.017 0.240 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 13.546 -1.389 -8.231 1.00 0.00 H new ATOM 1309 N GLY B 86 11.777 -0.668 -4.997 1.00 0.00 N ATOM 1310 CA GLY B 86 12.005 -0.360 -3.607 1.00 0.00 C ATOM 1311 C GLY B 86 13.118 0.642 -3.413 1.00 0.00 C ATOM 1312 O GLY B 86 14.284 0.363 -3.702 1.00 0.00 O ATOM 0 H GLY B 86 12.616 -0.858 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.087 0.032 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.248 -1.277 -3.070 1.00 0.00 H new ATOM 1316 N MET B 87 12.744 1.824 -2.933 1.00 0.00 N ATOM 1317 CA MET B 87 13.667 2.882 -2.656 1.00 0.00 C ATOM 1318 C MET B 87 13.093 3.806 -1.577 1.00 0.00 C ATOM 1319 O MET B 87 13.470 3.715 -0.413 1.00 0.00 O ATOM 1320 CB MET B 87 13.956 3.651 -3.938 1.00 0.00 C ATOM 1321 CG MET B 87 14.594 4.983 -3.679 1.00 0.00 C ATOM 1322 SD MET B 87 15.136 5.811 -5.185 1.00 0.00 S ATOM 1323 CE MET B 87 15.691 7.384 -4.530 1.00 0.00 C ATOM 0 H MET B 87 11.774 2.062 -2.728 1.00 0.00 H new ATOM 0 HA MET B 87 14.603 2.466 -2.282 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.611 3.056 -4.575 1.00 0.00 H new ATOM 0 HB3 MET B 87 13.026 3.798 -4.487 1.00 0.00 H new ATOM 0 HG2 MET B 87 13.885 5.623 -3.154 1.00 0.00 H new ATOM 0 HG3 MET B 87 15.450 4.847 -3.018 1.00 0.00 H new ATOM 0 HE1 MET B 87 16.057 8.009 -5.345 1.00 0.00 H new ATOM 0 HE2 MET B 87 14.860 7.885 -4.033 1.00 0.00 H new ATOM 0 HE3 MET B 87 16.494 7.216 -3.813 1.00 0.00 H new ATOM 1333 N TYR B 88 12.150 4.671 -1.954 1.00 0.00 N ATOM 1334 CA TYR B 88 11.543 5.588 -1.004 1.00 0.00 C ATOM 1335 C TYR B 88 10.029 5.554 -1.155 1.00 0.00 C ATOM 1336 O TYR B 88 9.441 6.374 -1.853 1.00 0.00 O ATOM 1337 CB TYR B 88 12.074 7.008 -1.230 1.00 0.00 C ATOM 1338 CG TYR B 88 11.770 7.966 -0.099 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.582 8.682 -0.069 1.00 0.00 C ATOM 1340 CD2 TYR B 88 12.676 8.159 0.937 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.303 9.559 0.960 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.403 9.036 1.970 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.215 9.733 1.976 1.00 0.00 C ATOM 1344 OH TYR B 88 10.933 10.605 3.004 1.00 0.00 O ATOM 0 H TYR B 88 11.795 4.751 -2.907 1.00 0.00 H new ATOM 0 HA TYR B 88 11.803 5.281 0.009 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.154 6.963 -1.374 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.646 7.403 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR B 88 9.863 8.551 -0.864 1.00 0.00 H new ATOM 0 HD2 TYR B 88 13.609 7.615 0.935 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.372 10.107 0.968 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.117 9.174 2.768 1.00 0.00 H new ATOM 0 HH TYR B 88 11.678 10.612 3.641 1.00 0.00 H new ATOM 1354 N ILE B 89 9.412 4.566 -0.541 1.00 0.00 N ATOM 1355 CA ILE B 89 7.969 4.435 -0.577 1.00 0.00 C ATOM 1356 C ILE B 89 7.324 5.227 0.554 1.00 0.00 C ATOM 1357 O ILE B 89 7.690 5.064 1.715 1.00 0.00 O ATOM 1358 CB ILE B 89 7.535 2.945 -0.507 1.00 0.00 C ATOM 1359 CG1 ILE B 89 7.809 2.237 -1.841 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.061 2.816 -0.141 1.00 0.00 C ATOM 1361 CD1 ILE B 89 9.273 2.050 -2.172 1.00 0.00 C ATOM 0 H ILE B 89 9.889 3.839 -0.009 1.00 0.00 H new ATOM 0 HA ILE B 89 7.626 4.844 -1.528 1.00 0.00 H new ATOM 0 HB ILE B 89 8.125 2.466 0.274 1.00 0.00 H new ATOM 0 HG12 ILE B 89 7.328 1.259 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE B 89 7.340 2.808 -2.642 1.00 0.00 H new ATOM 0 HG21 ILE B 89 5.787 1.762 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.886 3.275 0.832 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.454 3.319 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.367 1.542 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE B 89 9.761 3.023 -2.228 1.00 0.00 H new ATOM 0 HD13 ILE B 89 9.748 1.450 -1.396 1.00 0.00 H new ATOM 1373 N GLU B 90 6.393 6.108 0.210 1.00 0.00 N ATOM 1374 CA GLU B 90 5.655 6.855 1.222 1.00 0.00 C ATOM 1375 C GLU B 90 4.221 6.376 1.301 1.00 0.00 C ATOM 1376 O GLU B 90 3.786 5.521 0.525 1.00 0.00 O ATOM 1377 CB GLU B 90 5.633 8.353 0.938 1.00 0.00 C ATOM 1378 CG GLU B 90 6.991 8.979 0.709 1.00 0.00 C ATOM 1379 CD GLU B 90 6.890 10.473 0.506 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.730 11.208 1.504 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 6.945 10.926 -0.651 1.00 0.00 O ATOM 0 H GLU B 90 6.132 6.322 -0.753 1.00 0.00 H new ATOM 0 HA GLU B 90 6.174 6.680 2.165 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.014 8.532 0.059 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.152 8.859 1.775 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.637 8.770 1.562 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.459 8.524 -0.164 1.00 0.00 H new ATOM 1388 N ILE B 91 3.491 6.974 2.226 1.00 0.00 N ATOM 1389 CA ILE B 91 2.100 6.633 2.489 1.00 0.00 C ATOM 1390 C ILE B 91 1.379 7.879 2.984 1.00 0.00 C ATOM 1391 O ILE B 91 1.637 8.335 4.100 1.00 0.00 O ATOM 1392 CB ILE B 91 1.970 5.557 3.592 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.809 4.320 3.276 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.512 5.170 3.797 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.907 3.356 4.434 1.00 0.00 C ATOM 0 H ILE B 91 3.850 7.719 2.824 1.00 0.00 H new ATOM 0 HA ILE B 91 1.671 6.248 1.564 1.00 0.00 H new ATOM 0 HB ILE B 91 2.352 5.990 4.516 1.00 0.00 H new ATOM 0 HG12 ILE B 91 2.376 3.805 2.418 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.812 4.633 2.987 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.443 4.412 4.577 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -0.060 6.049 4.094 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.107 4.771 2.867 1.00 0.00 H new ATOM 0 HD11 ILE B 91 3.516 2.500 4.144 1.00 0.00 H new ATOM 0 HD12 ILE B 91 3.367 3.856 5.286 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.909 3.015 4.709 1.00 0.00 H new ATOM 1407 N LYS B 92 0.488 8.433 2.180 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.166 9.685 2.547 1.00 0.00 C ATOM 1409 C LYS B 92 -1.351 9.996 1.648 1.00 0.00 C ATOM 1410 O LYS B 92 -1.523 9.396 0.587 1.00 0.00 O ATOM 1411 CB LYS B 92 0.847 10.827 2.497 1.00 0.00 C ATOM 1412 CG LYS B 92 1.580 10.924 1.175 1.00 0.00 C ATOM 1413 CD LYS B 92 2.824 11.787 1.298 1.00 0.00 C ATOM 1414 CE LYS B 92 3.496 12.007 -0.048 1.00 0.00 C ATOM 1415 NZ LYS B 92 4.743 12.809 0.077 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.201 8.046 1.281 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.550 9.576 3.561 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.332 11.768 2.688 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.574 10.693 3.298 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.859 9.926 0.837 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.917 11.343 0.418 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.556 12.750 1.732 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.528 11.314 1.982 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.729 11.042 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.804 12.515 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 5.274 12.766 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 4.500 13.798 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 5.327 12.424 0.846 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.154 10.958 2.083 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.386 11.311 1.408 1.00 0.00 C ATOM 1431 C GLN B 93 -3.112 12.289 0.281 1.00 0.00 C ATOM 1432 O GLN B 93 -2.182 13.093 0.348 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.397 11.922 2.387 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.758 11.024 3.565 1.00 0.00 C ATOM 1435 CD GLN B 93 -3.821 11.186 4.751 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.767 10.387 4.799 1.00 0.00 O flip ATOM 1437 NE2 GLN B 93 -4.052 12.019 5.627 1.00 0.00 N flip ATOM 0 H GLN B 93 -1.965 11.514 2.917 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.812 10.397 0.995 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -3.992 12.858 2.771 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -5.308 12.169 1.842 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -5.777 11.245 3.883 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -4.744 9.984 3.238 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -4.874 12.618 5.557 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -3.421 12.110 6.423 1.00 0.00 H new ATOM 1446 N ILE B 94 -3.924 12.201 -0.749 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.798 13.049 -1.916 1.00 0.00 C ATOM 1448 C ILE B 94 -5.006 13.969 -2.037 1.00 0.00 C ATOM 1449 O ILE B 94 -6.099 13.483 -2.394 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.650 12.187 -3.182 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.591 10.989 -3.086 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.210 11.726 -3.325 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.578 10.081 -4.292 1.00 0.00 C ATOM 1454 OXT ILE B 94 -4.865 15.174 -1.751 1.00 0.00 O ATOM 0 H ILE B 94 -4.695 11.536 -0.802 1.00 0.00 H new ATOM 0 HA ILE B 94 -2.906 13.666 -1.806 1.00 0.00 H new ATOM 0 HB ILE B 94 -3.912 12.774 -4.062 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.325 10.405 -2.205 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.607 11.353 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.111 11.116 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.556 12.594 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -1.928 11.136 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.276 9.258 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -4.875 10.646 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.574 9.683 -4.437 1.00 0.00 H new TER 1466 ILE B 94