USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1276 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 72 HIS : no HD1:sc= 0.388 K(o=-0.053,f=-7.4!) USER MOD Set 1.2: B 74 HIS : no HD1:sc= -0.441 K(o=-0.053,f=-11!) USER MOD Set 2.1: B 17 THR OG1 : rot -130:sc= 0.888 USER MOD Set 2.2: B 20 SER OG : rot 99:sc= 1.22 USER MOD Set 3.1: B 4 SER OG : rot 158:sc= 0.486 USER MOD Set 3.2: B 38 SER OG : rot -106:sc= 1.23 USER MOD Set 4.1: B 1 MET CE :methyl 173:sc= 0 (180deg=0) USER MOD Set 4.2: B 5 ASN :FLIP amide:sc= -1.3 F(o=-2,f=-1.3) USER MOD Set 4.3: B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 17 THR OG1 : rot 180:sc= 0.754 USER MOD Set 5.2: A 20 SER OG : rot -110:sc= 0.629 USER MOD Set 6.1: A 1 MET N :NH3+ -158:sc= -0.279! (180deg=-1.42!) USER MOD Set 6.2: A 5 ASN :FLIP amide:sc= -0.05 F(o=-1.5,f=-0.33) USER MOD Set 7.1: A 4 SER OG : rot -109:sc= 0.484 USER MOD Set 7.2: A 38 SER OG : rot -88:sc= 0.808 USER MOD Single : A 1 MET CE :methyl -96:sc= -0.954! (180deg=-1.28!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -11:sc= 0.197! USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -2.2! (180deg=-2.48) USER MOD Single : A 25 MET CE :methyl -147:sc= -0.303 (180deg=-1.9!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 30 GLN : amide:sc=-0.00179 K(o=-0.0018,f=-1.8!) USER MOD Single : A 31 GLN : amide:sc= -0.22 K(o=-0.22,f=-1) USER MOD Single : A 33 CYS SG : rot 73:sc= 1.18 USER MOD Single : A 34 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.6!) USER MOD Single : A 37 GLN : amide:sc=-0.00402 K(o=-0.004,f=-1.6!) USER MOD Single : A 40 THR OG1 : rot 37:sc= -2.54! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.449 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -110:sc= -3.12 (180deg=-4.42!) USER MOD Single : A 59 ASN : amide:sc= -0.56! C(o=-0.56!,f=-12!) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.188 F(o=-2!,f=-0.19) USER MOD Single : A 69 LYS NZ :NH3+ 133:sc= -0.0701 (180deg=-0.626) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.0265 F(o=-1.2!,f=-0.026) USER MOD Single : A 73 HIS : no HD1:sc= -0.0548 X(o=-0.055,f=-0.19) USER MOD Single : A 74 HIS : no HD1:sc= 0.654 K(o=0.65,f=-3.9!) USER MOD Single : A 75 HIS : no HD1:sc= -0.755 K(o=-0.75,f=-3) USER MOD Single : A 76 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0848 X(o=-0.085,f=-0.027) USER MOD Single : B 1 MET N :NH3+ -159:sc= -0.0667 (180deg=-0.481) USER MOD Single : B 15 SER OG : rot -9:sc= 0.877 USER MOD Single : B 19 LYS NZ :NH3+ -159:sc= -6.04! (180deg=-7.46!) USER MOD Single : B 25 MET CE :methyl -169:sc= -0.427 (180deg=-0.545) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.24) USER MOD Single : B 31 GLN : amide:sc= -0.56 K(o=-0.56,f=-1.8) USER MOD Single : B 33 CYS SG : rot 81:sc= 0.0189 USER MOD Single : B 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 GLN : amide:sc= -0.0197 K(o=-0.02,f=-1.8!) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00839) USER MOD Single : B 47 TYR OH : rot 115:sc= -2.18 USER MOD Single : B 53 SER OG : rot -69:sc= 0.987 USER MOD Single : B 54 LYS NZ :NH3+ 176:sc= -1.63! (180deg=-1.71!) USER MOD Single : B 59 ASN :FLIP amide:sc= -1.06 F(o=-2.9!,f=-1.1) USER MOD Single : B 68 ASN :FLIP amide:sc= -0.767 F(o=-9.9!,f=-0.77) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-1) USER MOD Single : B 75 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-3.1!) USER MOD Single : B 76 HIS :FLIP no HD1:sc= -0.717 F(o=-2.1!,f=-0.72) USER MOD Single : B 77 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.430 13.760 7.732 1.00 0.00 N ATOM 2 CA MET A 1 9.721 13.095 7.394 1.00 0.00 C ATOM 3 C MET A 1 9.435 11.745 6.727 1.00 0.00 C ATOM 4 O MET A 1 9.681 11.553 5.552 1.00 0.00 O ATOM 5 CB MET A 1 10.540 12.879 8.679 1.00 0.00 C ATOM 6 CG MET A 1 10.256 14.015 9.663 1.00 0.00 C ATOM 7 SD MET A 1 10.385 15.606 8.805 1.00 0.00 S ATOM 8 CE MET A 1 8.947 16.405 9.561 1.00 0.00 C ATOM 0 H1 MET A 1 8.582 14.784 7.829 1.00 0.00 H new ATOM 0 H2 MET A 1 7.739 13.582 6.975 1.00 0.00 H new ATOM 0 H3 MET A 1 8.067 13.378 8.629 1.00 0.00 H new ATOM 0 HA MET A 1 10.290 13.724 6.709 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.283 11.921 9.130 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.604 12.845 8.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.260 13.900 10.090 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.964 13.978 10.491 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.084 16.297 8.904 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.733 15.936 10.521 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.157 17.464 9.713 1.00 0.00 H new ATOM 20 N GLU A 2 8.915 10.812 7.475 1.00 0.00 N ATOM 21 CA GLU A 2 8.605 9.472 6.903 1.00 0.00 C ATOM 22 C GLU A 2 7.306 9.543 6.102 1.00 0.00 C ATOM 23 O GLU A 2 6.558 10.496 6.194 1.00 0.00 O ATOM 24 CB GLU A 2 8.448 8.462 8.038 1.00 0.00 C ATOM 25 CG GLU A 2 9.807 8.219 8.694 1.00 0.00 C ATOM 26 CD GLU A 2 9.633 7.274 9.883 1.00 0.00 C ATOM 27 OE1 GLU A 2 8.687 7.463 10.630 1.00 0.00 O ATOM 28 OE2 GLU A 2 10.445 6.375 10.023 1.00 0.00 O ATOM 0 H GLU A 2 8.690 10.921 8.464 1.00 0.00 H new ATOM 0 HA GLU A 2 9.417 9.161 6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.737 8.835 8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.045 7.525 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.501 7.789 7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.238 9.164 9.026 1.00 0.00 H new ATOM 35 N LEU A 3 7.034 8.538 5.316 1.00 0.00 N ATOM 36 CA LEU A 3 5.783 8.542 4.506 1.00 0.00 C ATOM 37 C LEU A 3 4.572 8.568 5.440 1.00 0.00 C ATOM 38 O LEU A 3 3.628 9.301 5.227 1.00 0.00 O ATOM 39 CB LEU A 3 5.742 7.274 3.641 1.00 0.00 C ATOM 40 CG LEU A 3 4.418 7.190 2.866 1.00 0.00 C ATOM 41 CD1 LEU A 3 4.213 8.457 2.024 1.00 0.00 C ATOM 42 CD2 LEU A 3 4.460 5.963 1.947 1.00 0.00 C ATOM 0 H LEU A 3 7.624 7.714 5.200 1.00 0.00 H new ATOM 0 HA LEU A 3 5.760 9.423 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.579 7.277 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.857 6.393 4.272 1.00 0.00 H new ATOM 0 HG LEU A 3 3.591 7.102 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.271 8.384 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.188 9.328 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.034 8.559 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.525 5.893 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.291 6.060 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.594 5.063 2.547 1.00 0.00 H new ATOM 54 N SER A 4 4.592 7.773 6.472 1.00 0.00 N ATOM 55 CA SER A 4 3.440 7.750 7.418 1.00 0.00 C ATOM 56 C SER A 4 3.266 9.125 8.069 1.00 0.00 C ATOM 57 O SER A 4 2.166 9.624 8.203 1.00 0.00 O ATOM 58 CB SER A 4 3.692 6.700 8.504 1.00 0.00 C ATOM 59 OG SER A 4 3.845 5.429 7.890 1.00 0.00 O ATOM 0 H SER A 4 5.356 7.138 6.702 1.00 0.00 H new ATOM 0 HA SER A 4 2.533 7.499 6.868 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.587 6.954 9.073 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.861 6.680 9.209 1.00 0.00 H new ATOM 0 HG SER A 4 3.063 4.873 8.090 1.00 0.00 H new ATOM 65 N ASN A 5 4.341 9.738 8.480 1.00 0.00 N ATOM 66 CA ASN A 5 4.234 11.077 9.130 1.00 0.00 C ATOM 67 C ASN A 5 3.663 12.101 8.145 1.00 0.00 C ATOM 68 O ASN A 5 2.751 12.844 8.459 1.00 0.00 O ATOM 69 CB ASN A 5 5.633 11.525 9.570 1.00 0.00 C ATOM 70 CG ASN A 5 5.589 12.976 10.053 1.00 0.00 C ATOM 71 OD1 ASN A 5 5.746 13.941 9.188 1.00 0.00 O flip ATOM 72 ND2 ASN A 5 5.402 13.236 11.225 1.00 0.00 N flip ATOM 0 H ASN A 5 5.289 9.371 8.395 1.00 0.00 H new ATOM 0 HA ASN A 5 3.569 11.008 9.991 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.997 10.878 10.368 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.332 11.430 8.739 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.279 12.482 11.901 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.368 14.208 11.533 1.00 0.00 H new ATOM 79 N GLU A 6 4.196 12.152 6.960 1.00 0.00 N ATOM 80 CA GLU A 6 3.693 13.134 5.963 1.00 0.00 C ATOM 81 C GLU A 6 2.299 12.721 5.474 1.00 0.00 C ATOM 82 O GLU A 6 1.440 13.549 5.256 1.00 0.00 O ATOM 83 CB GLU A 6 4.671 13.207 4.775 1.00 0.00 C ATOM 84 CG GLU A 6 4.647 14.623 4.152 1.00 0.00 C ATOM 85 CD GLU A 6 4.907 14.542 2.649 1.00 0.00 C ATOM 86 OE1 GLU A 6 3.962 14.278 1.924 1.00 0.00 O ATOM 87 OE2 GLU A 6 6.041 14.747 2.250 1.00 0.00 O ATOM 0 H GLU A 6 4.959 11.556 6.638 1.00 0.00 H new ATOM 0 HA GLU A 6 3.621 14.116 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.680 12.966 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.398 12.466 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.681 15.093 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.402 15.250 4.626 1.00 0.00 H new ATOM 94 N LEU A 7 2.071 11.448 5.299 1.00 0.00 N ATOM 95 CA LEU A 7 0.736 10.991 4.817 1.00 0.00 C ATOM 96 C LEU A 7 -0.330 11.450 5.811 1.00 0.00 C ATOM 97 O LEU A 7 -1.380 11.937 5.438 1.00 0.00 O ATOM 98 CB LEU A 7 0.728 9.458 4.729 1.00 0.00 C ATOM 99 CG LEU A 7 -0.643 8.953 4.255 1.00 0.00 C ATOM 100 CD1 LEU A 7 -0.964 9.520 2.863 1.00 0.00 C ATOM 101 CD2 LEU A 7 -0.607 7.422 4.193 1.00 0.00 C ATOM 0 H LEU A 7 2.750 10.706 5.468 1.00 0.00 H new ATOM 0 HA LEU A 7 0.529 11.411 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.503 9.123 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.962 9.031 5.704 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.415 9.282 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.938 9.155 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.981 10.609 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.201 9.199 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.575 7.049 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.167 7.104 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.387 7.023 5.183 1.00 0.00 H new ATOM 113 N LYS A 8 -0.060 11.307 7.075 1.00 0.00 N ATOM 114 CA LYS A 8 -1.044 11.742 8.099 1.00 0.00 C ATOM 115 C LYS A 8 -1.267 13.250 7.965 1.00 0.00 C ATOM 116 O LYS A 8 -2.375 13.739 8.072 1.00 0.00 O ATOM 117 CB LYS A 8 -0.495 11.422 9.489 1.00 0.00 C ATOM 118 CG LYS A 8 -1.552 11.742 10.546 1.00 0.00 C ATOM 119 CD LYS A 8 -1.052 11.291 11.923 1.00 0.00 C ATOM 120 CE LYS A 8 0.077 12.210 12.405 1.00 0.00 C ATOM 121 NZ LYS A 8 0.268 12.025 13.869 1.00 0.00 N ATOM 0 H LYS A 8 0.802 10.906 7.444 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.990 11.220 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.216 10.370 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.408 12.003 9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.760 12.812 10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.488 11.238 10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.874 11.306 12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.695 10.262 11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.001 11.980 11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.166 13.250 12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.033 12.647 14.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.613 12.264 14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.518 11.034 14.064 1.00 0.00 H new ATOM 135 N VAL A 9 -0.219 13.993 7.729 1.00 0.00 N ATOM 136 CA VAL A 9 -0.366 15.468 7.587 1.00 0.00 C ATOM 137 C VAL A 9 -1.284 15.788 6.406 1.00 0.00 C ATOM 138 O VAL A 9 -2.172 16.602 6.518 1.00 0.00 O ATOM 139 CB VAL A 9 1.009 16.104 7.340 1.00 0.00 C ATOM 140 CG1 VAL A 9 0.841 17.593 6.996 1.00 0.00 C ATOM 141 CG2 VAL A 9 1.862 15.965 8.605 1.00 0.00 C ATOM 0 H VAL A 9 0.733 13.641 7.629 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.798 15.870 8.504 1.00 0.00 H new ATOM 0 HB VAL A 9 1.498 15.598 6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.820 18.039 6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.232 17.692 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.351 18.105 7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.840 16.415 8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.368 16.472 9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.985 14.909 8.846 1.00 0.00 H new ATOM 151 N GLU A 10 -1.081 15.164 5.275 1.00 0.00 N ATOM 152 CA GLU A 10 -1.948 15.469 4.099 1.00 0.00 C ATOM 153 C GLU A 10 -3.419 15.272 4.462 1.00 0.00 C ATOM 154 O GLU A 10 -4.267 16.059 4.091 1.00 0.00 O ATOM 155 CB GLU A 10 -1.585 14.541 2.923 1.00 0.00 C ATOM 156 CG GLU A 10 -0.338 15.062 2.190 1.00 0.00 C ATOM 157 CD GLU A 10 0.923 14.689 2.967 1.00 0.00 C ATOM 158 OE1 GLU A 10 1.293 13.527 2.927 1.00 0.00 O ATOM 159 OE2 GLU A 10 1.496 15.570 3.585 1.00 0.00 O ATOM 0 H GLU A 10 -0.358 14.462 5.115 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.786 16.507 3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.402 13.532 3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.423 14.480 2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.294 14.640 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.398 16.145 2.078 1.00 0.00 H new ATOM 166 N ARG A 11 -3.733 14.224 5.163 1.00 0.00 N ATOM 167 CA ARG A 11 -5.158 13.979 5.526 1.00 0.00 C ATOM 168 C ARG A 11 -5.680 15.164 6.342 1.00 0.00 C ATOM 169 O ARG A 11 -6.750 15.682 6.093 1.00 0.00 O ATOM 170 CB ARG A 11 -5.248 12.680 6.340 1.00 0.00 C ATOM 171 CG ARG A 11 -6.711 12.216 6.442 1.00 0.00 C ATOM 172 CD ARG A 11 -6.767 10.757 6.916 1.00 0.00 C ATOM 173 NE ARG A 11 -6.564 10.683 8.397 1.00 0.00 N ATOM 174 CZ ARG A 11 -7.591 10.659 9.212 1.00 0.00 C ATOM 175 NH1 ARG A 11 -8.810 10.734 8.747 1.00 0.00 N ATOM 176 NH2 ARG A 11 -7.397 10.560 10.498 1.00 0.00 N ATOM 0 H ARG A 11 -3.070 13.527 5.501 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.767 13.877 4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.645 11.904 5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.839 12.839 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.256 12.854 7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.200 12.311 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.729 10.319 6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.000 10.173 6.407 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.618 10.651 8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.969 10.812 7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.603 10.715 9.389 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.448 10.501 10.868 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.194 10.541 11.134 1.00 0.00 H new ATOM 190 N ILE A 12 -4.921 15.604 7.305 1.00 0.00 N ATOM 191 CA ILE A 12 -5.348 16.768 8.134 1.00 0.00 C ATOM 192 C ILE A 12 -5.167 18.066 7.333 1.00 0.00 C ATOM 193 O ILE A 12 -5.833 19.056 7.564 1.00 0.00 O ATOM 194 CB ILE A 12 -4.484 16.823 9.395 1.00 0.00 C ATOM 195 CG1 ILE A 12 -4.612 15.502 10.159 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.960 17.972 10.286 1.00 0.00 C ATOM 197 CD1 ILE A 12 -3.500 15.410 11.206 1.00 0.00 C ATOM 0 H ILE A 12 -4.016 15.205 7.556 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.397 16.659 8.408 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.443 16.983 9.116 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.587 15.442 10.642 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.546 14.662 9.468 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.346 18.013 11.186 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.873 18.913 9.743 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.001 17.809 10.565 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.590 14.470 11.751 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.530 15.451 10.711 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.587 16.243 11.903 1.00 0.00 H new ATOM 209 N ARG A 13 -4.250 18.063 6.403 1.00 0.00 N ATOM 210 CA ARG A 13 -3.982 19.280 5.580 1.00 0.00 C ATOM 211 C ARG A 13 -5.231 19.629 4.767 1.00 0.00 C ATOM 212 O ARG A 13 -5.611 20.778 4.652 1.00 0.00 O ATOM 213 CB ARG A 13 -2.803 18.981 4.643 1.00 0.00 C ATOM 214 CG ARG A 13 -2.221 20.276 4.041 1.00 0.00 C ATOM 215 CD ARG A 13 -0.731 20.067 3.724 1.00 0.00 C ATOM 216 NE ARG A 13 -0.270 21.119 2.782 1.00 0.00 N ATOM 217 CZ ARG A 13 0.998 21.228 2.485 1.00 0.00 C ATOM 218 NH1 ARG A 13 1.876 20.444 3.049 1.00 0.00 N ATOM 219 NH2 ARG A 13 1.388 22.130 1.625 1.00 0.00 N ATOM 0 H ARG A 13 -3.667 17.258 6.175 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.735 20.127 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.025 18.451 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.132 18.321 3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.763 20.544 3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.343 21.102 4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.145 20.104 4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.577 19.080 3.287 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.946 21.759 2.365 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.574 19.742 3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.865 20.533 2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.704 22.747 1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.377 22.218 1.391 1.00 0.00 H new ATOM 233 N LEU A 14 -5.874 18.642 4.205 1.00 0.00 N ATOM 234 CA LEU A 14 -7.105 18.905 3.405 1.00 0.00 C ATOM 235 C LEU A 14 -8.319 18.919 4.341 1.00 0.00 C ATOM 236 O LEU A 14 -9.437 19.148 3.923 1.00 0.00 O ATOM 237 CB LEU A 14 -7.272 17.797 2.363 1.00 0.00 C ATOM 238 CG LEU A 14 -6.031 17.745 1.465 1.00 0.00 C ATOM 239 CD1 LEU A 14 -6.164 16.577 0.486 1.00 0.00 C ATOM 240 CD2 LEU A 14 -5.890 19.064 0.682 1.00 0.00 C ATOM 0 H LEU A 14 -5.599 17.662 4.265 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.023 19.868 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.415 16.837 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.162 17.981 1.761 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.145 17.605 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.283 16.537 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.251 15.644 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.053 16.717 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.005 19.017 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.774 19.216 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.791 19.894 1.382 1.00 0.00 H new ATOM 252 N SER A 15 -8.101 18.679 5.610 1.00 0.00 N ATOM 253 CA SER A 15 -9.228 18.681 6.592 1.00 0.00 C ATOM 254 C SER A 15 -10.193 17.527 6.291 1.00 0.00 C ATOM 255 O SER A 15 -11.324 17.729 5.894 1.00 0.00 O ATOM 256 CB SER A 15 -9.965 20.025 6.523 1.00 0.00 C ATOM 257 OG SER A 15 -10.957 19.979 5.509 1.00 0.00 O ATOM 0 H SER A 15 -7.184 18.480 6.010 1.00 0.00 H new ATOM 0 HA SER A 15 -8.830 18.544 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.426 20.247 7.485 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.257 20.828 6.316 1.00 0.00 H new ATOM 0 HG SER A 15 -10.834 19.172 4.967 1.00 0.00 H new ATOM 263 N LEU A 16 -9.747 16.310 6.486 1.00 0.00 N ATOM 264 CA LEU A 16 -10.616 15.118 6.225 1.00 0.00 C ATOM 265 C LEU A 16 -10.855 14.364 7.534 1.00 0.00 C ATOM 266 O LEU A 16 -9.946 14.140 8.310 1.00 0.00 O ATOM 267 CB LEU A 16 -9.923 14.201 5.217 1.00 0.00 C ATOM 268 CG LEU A 16 -9.644 14.981 3.928 1.00 0.00 C ATOM 269 CD1 LEU A 16 -8.876 14.086 2.950 1.00 0.00 C ATOM 270 CD2 LEU A 16 -10.969 15.432 3.285 1.00 0.00 C ATOM 0 H LEU A 16 -8.808 16.089 6.818 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.574 15.443 5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.990 13.822 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.551 13.336 5.003 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.048 15.863 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.676 14.638 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.933 13.779 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.472 13.203 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.759 15.985 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.575 14.557 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.511 16.073 3.980 1.00 0.00 H new ATOM 282 N THR A 17 -12.081 13.986 7.786 1.00 0.00 N ATOM 283 CA THR A 17 -12.402 13.261 9.049 1.00 0.00 C ATOM 284 C THR A 17 -12.131 11.765 8.887 1.00 0.00 C ATOM 285 O THR A 17 -12.135 11.230 7.796 1.00 0.00 O ATOM 286 CB THR A 17 -13.878 13.475 9.387 1.00 0.00 C ATOM 287 OG1 THR A 17 -14.662 13.260 8.222 1.00 0.00 O ATOM 288 CG2 THR A 17 -14.083 14.906 9.887 1.00 0.00 C ATOM 0 H THR A 17 -12.876 14.149 7.168 1.00 0.00 H new ATOM 0 HA THR A 17 -11.774 13.647 9.852 1.00 0.00 H new ATOM 0 HB THR A 17 -14.182 12.774 10.164 1.00 0.00 H new ATOM 0 HG1 THR A 17 -15.609 13.395 8.435 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.135 15.060 10.128 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.478 15.070 10.779 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.782 15.609 9.110 1.00 0.00 H new ATOM 296 N ALA A 18 -11.900 11.091 9.981 1.00 0.00 N ATOM 297 CA ALA A 18 -11.629 9.627 9.924 1.00 0.00 C ATOM 298 C ALA A 18 -12.924 8.871 9.618 1.00 0.00 C ATOM 299 O ALA A 18 -12.933 7.905 8.878 1.00 0.00 O ATOM 300 CB ALA A 18 -11.073 9.159 11.273 1.00 0.00 C ATOM 0 H ALA A 18 -11.887 11.495 10.918 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.901 9.427 9.138 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.874 8.088 11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.147 9.692 11.490 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.802 9.364 12.058 1.00 0.00 H new ATOM 306 N LYS A 19 -14.013 9.297 10.193 1.00 0.00 N ATOM 307 CA LYS A 19 -15.310 8.606 9.960 1.00 0.00 C ATOM 308 C LYS A 19 -15.712 8.729 8.487 1.00 0.00 C ATOM 309 O LYS A 19 -16.144 7.776 7.868 1.00 0.00 O ATOM 310 CB LYS A 19 -16.377 9.248 10.854 1.00 0.00 C ATOM 311 CG LYS A 19 -16.759 10.633 10.310 1.00 0.00 C ATOM 312 CD LYS A 19 -17.564 11.425 11.367 1.00 0.00 C ATOM 313 CE LYS A 19 -16.626 12.334 12.173 1.00 0.00 C ATOM 314 NZ LYS A 19 -15.408 11.570 12.567 1.00 0.00 N ATOM 0 H LYS A 19 -14.060 10.101 10.819 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.215 7.548 10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.259 8.609 10.896 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.001 9.340 11.873 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.859 11.186 10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.350 10.523 9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.331 12.024 10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.078 10.735 12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.346 13.204 11.578 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.137 12.706 13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.909 12.079 13.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.685 10.627 12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.780 11.470 11.744 1.00 0.00 H new ATOM 328 N SER A 20 -15.574 9.896 7.925 1.00 0.00 N ATOM 329 CA SER A 20 -15.952 10.085 6.500 1.00 0.00 C ATOM 330 C SER A 20 -15.085 9.186 5.614 1.00 0.00 C ATOM 331 O SER A 20 -15.570 8.509 4.730 1.00 0.00 O ATOM 332 CB SER A 20 -15.720 11.546 6.106 1.00 0.00 C ATOM 333 OG SER A 20 -14.350 11.879 6.309 1.00 0.00 O ATOM 0 H SER A 20 -15.215 10.728 8.393 1.00 0.00 H new ATOM 0 HA SER A 20 -17.002 9.826 6.367 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.992 11.700 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.357 12.200 6.701 1.00 0.00 H new ATOM 0 HG SER A 20 -14.272 12.495 7.067 1.00 0.00 H new ATOM 339 N VAL A 21 -13.803 9.178 5.849 1.00 0.00 N ATOM 340 CA VAL A 21 -12.898 8.330 5.026 1.00 0.00 C ATOM 341 C VAL A 21 -13.153 6.848 5.316 1.00 0.00 C ATOM 342 O VAL A 21 -13.229 6.031 4.420 1.00 0.00 O ATOM 343 CB VAL A 21 -11.445 8.671 5.364 1.00 0.00 C ATOM 344 CG1 VAL A 21 -10.510 7.754 4.572 1.00 0.00 C ATOM 345 CG2 VAL A 21 -11.171 10.130 4.992 1.00 0.00 C ATOM 0 H VAL A 21 -13.342 9.724 6.577 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.090 8.522 3.970 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.272 8.528 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.474 7.996 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.710 6.715 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.678 7.897 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.137 10.378 5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.341 10.271 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.840 10.781 5.555 1.00 0.00 H new ATOM 355 N ALA A 22 -13.269 6.497 6.564 1.00 0.00 N ATOM 356 CA ALA A 22 -13.498 5.067 6.922 1.00 0.00 C ATOM 357 C ALA A 22 -14.834 4.580 6.358 1.00 0.00 C ATOM 358 O ALA A 22 -14.939 3.479 5.854 1.00 0.00 O ATOM 359 CB ALA A 22 -13.509 4.922 8.447 1.00 0.00 C ATOM 0 H ALA A 22 -13.215 7.138 7.355 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.696 4.465 6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.676 3.878 8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.551 5.250 8.851 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.308 5.535 8.865 1.00 0.00 H new ATOM 365 N GLU A 23 -15.856 5.380 6.448 1.00 0.00 N ATOM 366 CA GLU A 23 -17.183 4.946 5.927 1.00 0.00 C ATOM 367 C GLU A 23 -17.141 4.849 4.398 1.00 0.00 C ATOM 368 O GLU A 23 -17.596 3.886 3.812 1.00 0.00 O ATOM 369 CB GLU A 23 -18.239 5.970 6.340 1.00 0.00 C ATOM 370 CG GLU A 23 -19.631 5.428 6.020 1.00 0.00 C ATOM 371 CD GLU A 23 -20.674 6.505 6.325 1.00 0.00 C ATOM 372 OE1 GLU A 23 -20.876 7.361 5.480 1.00 0.00 O ATOM 373 OE2 GLU A 23 -21.242 6.463 7.404 1.00 0.00 O ATOM 0 H GLU A 23 -15.833 6.314 6.858 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.430 3.967 6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.157 6.183 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.074 6.910 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.688 5.136 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.831 4.534 6.611 1.00 0.00 H new ATOM 380 N GLU A 24 -16.600 5.842 3.750 1.00 0.00 N ATOM 381 CA GLU A 24 -16.524 5.820 2.260 1.00 0.00 C ATOM 382 C GLU A 24 -15.545 4.737 1.802 1.00 0.00 C ATOM 383 O GLU A 24 -15.762 4.067 0.813 1.00 0.00 O ATOM 384 CB GLU A 24 -16.057 7.188 1.764 1.00 0.00 C ATOM 385 CG GLU A 24 -17.172 8.210 1.989 1.00 0.00 C ATOM 386 CD GLU A 24 -16.663 9.613 1.655 1.00 0.00 C ATOM 387 OE1 GLU A 24 -15.607 9.971 2.147 1.00 0.00 O ATOM 388 OE2 GLU A 24 -17.336 10.304 0.908 1.00 0.00 O ATOM 0 H GLU A 24 -16.205 6.673 4.189 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.508 5.598 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.155 7.493 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.802 7.137 0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -18.032 7.967 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -17.509 8.172 3.025 1.00 0.00 H new ATOM 395 N MET A 25 -14.473 4.559 2.519 1.00 0.00 N ATOM 396 CA MET A 25 -13.478 3.516 2.136 1.00 0.00 C ATOM 397 C MET A 25 -14.135 2.136 2.211 1.00 0.00 C ATOM 398 O MET A 25 -13.861 1.263 1.410 1.00 0.00 O ATOM 399 CB MET A 25 -12.286 3.576 3.102 1.00 0.00 C ATOM 400 CG MET A 25 -11.336 4.702 2.686 1.00 0.00 C ATOM 401 SD MET A 25 -10.492 4.241 1.150 1.00 0.00 S ATOM 402 CE MET A 25 -9.497 2.880 1.816 1.00 0.00 C ATOM 0 H MET A 25 -14.240 5.092 3.357 1.00 0.00 H new ATOM 0 HA MET A 25 -13.130 3.694 1.119 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.639 3.743 4.120 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.757 2.623 3.101 1.00 0.00 H new ATOM 0 HG2 MET A 25 -11.893 5.628 2.544 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.606 4.886 3.474 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.545 2.833 1.288 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.316 3.048 2.878 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.032 1.940 1.683 1.00 0.00 H new ATOM 412 N GLY A 26 -14.996 1.929 3.172 1.00 0.00 N ATOM 413 CA GLY A 26 -15.672 0.602 3.313 1.00 0.00 C ATOM 414 C GLY A 26 -14.975 -0.211 4.406 1.00 0.00 C ATOM 415 O GLY A 26 -15.090 -1.421 4.461 1.00 0.00 O ATOM 0 H GLY A 26 -15.262 2.624 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.724 0.742 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.639 0.063 2.366 1.00 0.00 H new ATOM 419 N ILE A 27 -14.256 0.453 5.277 1.00 0.00 N ATOM 420 CA ILE A 27 -13.539 -0.253 6.386 1.00 0.00 C ATOM 421 C ILE A 27 -13.961 0.339 7.731 1.00 0.00 C ATOM 422 O ILE A 27 -14.501 1.426 7.807 1.00 0.00 O ATOM 423 CB ILE A 27 -12.024 -0.104 6.197 1.00 0.00 C ATOM 424 CG1 ILE A 27 -11.637 1.380 6.161 1.00 0.00 C ATOM 425 CG2 ILE A 27 -11.608 -0.770 4.886 1.00 0.00 C ATOM 426 CD1 ILE A 27 -10.112 1.508 6.106 1.00 0.00 C ATOM 0 H ILE A 27 -14.134 1.466 5.267 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.797 -1.312 6.368 1.00 0.00 H new ATOM 0 HB ILE A 27 -11.514 -0.583 7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.085 1.863 5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.024 1.889 7.044 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.532 -0.665 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.868 -1.828 4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.127 -0.293 4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.836 2.562 6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.676 1.040 6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.737 1.013 5.210 1.00 0.00 H new ATOM 438 N SER A 28 -13.728 -0.385 8.791 1.00 0.00 N ATOM 439 CA SER A 28 -14.119 0.101 10.142 1.00 0.00 C ATOM 440 C SER A 28 -13.240 1.278 10.561 1.00 0.00 C ATOM 441 O SER A 28 -12.116 1.425 10.122 1.00 0.00 O ATOM 442 CB SER A 28 -13.947 -1.033 11.150 1.00 0.00 C ATOM 443 OG SER A 28 -14.207 -0.542 12.459 1.00 0.00 O ATOM 0 H SER A 28 -13.279 -1.301 8.777 1.00 0.00 H new ATOM 0 HA SER A 28 -15.159 0.428 10.113 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.628 -1.851 10.914 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.935 -1.434 11.094 1.00 0.00 H new ATOM 0 HG SER A 28 -14.099 -1.268 13.108 1.00 0.00 H new ATOM 449 N ARG A 29 -13.751 2.105 11.428 1.00 0.00 N ATOM 450 CA ARG A 29 -12.966 3.272 11.915 1.00 0.00 C ATOM 451 C ARG A 29 -11.715 2.769 12.633 1.00 0.00 C ATOM 452 O ARG A 29 -10.658 3.363 12.553 1.00 0.00 O ATOM 453 CB ARG A 29 -13.835 4.097 12.873 1.00 0.00 C ATOM 454 CG ARG A 29 -14.824 4.938 12.061 1.00 0.00 C ATOM 455 CD ARG A 29 -15.916 5.498 12.976 1.00 0.00 C ATOM 456 NE ARG A 29 -16.881 4.413 13.318 1.00 0.00 N ATOM 457 CZ ARG A 29 -17.709 3.974 12.407 1.00 0.00 C ATOM 458 NH1 ARG A 29 -17.666 4.465 11.199 1.00 0.00 N ATOM 459 NH2 ARG A 29 -18.578 3.045 12.701 1.00 0.00 N ATOM 0 H ARG A 29 -14.687 2.022 11.824 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.666 3.901 11.077 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.374 3.437 13.553 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.207 4.744 13.486 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.298 5.755 11.567 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.273 4.328 11.277 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.471 5.904 13.885 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.435 6.319 12.481 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.895 4.016 14.257 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.987 5.190 10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.311 4.124 10.487 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.612 2.659 13.645 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -19.222 2.705 11.987 1.00 0.00 H new ATOM 473 N GLN A 30 -11.825 1.671 13.327 1.00 0.00 N ATOM 474 CA GLN A 30 -10.641 1.120 14.043 1.00 0.00 C ATOM 475 C GLN A 30 -9.562 0.745 13.023 1.00 0.00 C ATOM 476 O GLN A 30 -8.386 0.968 13.234 1.00 0.00 O ATOM 477 CB GLN A 30 -11.056 -0.129 14.825 1.00 0.00 C ATOM 478 CG GLN A 30 -9.861 -0.656 15.617 1.00 0.00 C ATOM 479 CD GLN A 30 -10.317 -1.804 16.517 1.00 0.00 C ATOM 480 OE1 GLN A 30 -11.498 -1.980 16.744 1.00 0.00 O ATOM 481 NE2 GLN A 30 -9.427 -2.595 17.046 1.00 0.00 N ATOM 0 H GLN A 30 -12.684 1.131 13.429 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.249 1.868 14.732 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.877 0.109 15.501 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.418 -0.896 14.140 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.082 -1.000 14.936 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.428 0.143 16.219 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.436 -2.447 16.855 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.721 -3.362 17.651 1.00 0.00 H new ATOM 490 N GLN A 31 -9.957 0.181 11.914 1.00 0.00 N ATOM 491 CA GLN A 31 -8.961 -0.207 10.873 1.00 0.00 C ATOM 492 C GLN A 31 -8.278 1.055 10.338 1.00 0.00 C ATOM 493 O GLN A 31 -7.079 1.093 10.143 1.00 0.00 O ATOM 494 CB GLN A 31 -9.682 -0.926 9.727 1.00 0.00 C ATOM 495 CG GLN A 31 -8.663 -1.434 8.701 1.00 0.00 C ATOM 496 CD GLN A 31 -7.791 -2.518 9.336 1.00 0.00 C ATOM 497 OE1 GLN A 31 -8.271 -3.326 10.108 1.00 0.00 O ATOM 498 NE2 GLN A 31 -6.520 -2.568 9.046 1.00 0.00 N ATOM 0 H GLN A 31 -10.928 -0.028 11.683 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.213 -0.872 11.305 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.262 -1.761 10.119 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.386 -0.246 9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.179 -1.834 7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.040 -0.610 8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.118 -1.890 8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.929 -3.285 9.467 1.00 0.00 H new ATOM 507 N LEU A 32 -9.035 2.090 10.113 1.00 0.00 N ATOM 508 CA LEU A 32 -8.439 3.356 9.605 1.00 0.00 C ATOM 509 C LEU A 32 -7.464 3.908 10.646 1.00 0.00 C ATOM 510 O LEU A 32 -6.402 4.402 10.320 1.00 0.00 O ATOM 511 CB LEU A 32 -9.558 4.371 9.339 1.00 0.00 C ATOM 512 CG LEU A 32 -8.969 5.728 8.940 1.00 0.00 C ATOM 513 CD1 LEU A 32 -8.031 5.568 7.738 1.00 0.00 C ATOM 514 CD2 LEU A 32 -10.118 6.669 8.564 1.00 0.00 C ATOM 0 H LEU A 32 -10.044 2.115 10.259 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.900 3.168 8.676 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.209 4.003 8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.174 4.484 10.231 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.401 6.136 9.776 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.620 6.540 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.218 4.890 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.587 5.160 6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.714 7.640 8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.675 6.247 7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.783 6.791 9.419 1.00 0.00 H new ATOM 526 N CYS A 33 -7.819 3.828 11.896 1.00 0.00 N ATOM 527 CA CYS A 33 -6.919 4.346 12.965 1.00 0.00 C ATOM 528 C CYS A 33 -5.582 3.605 12.910 1.00 0.00 C ATOM 529 O CYS A 33 -4.533 4.178 13.135 1.00 0.00 O ATOM 530 CB CYS A 33 -7.571 4.123 14.331 1.00 0.00 C ATOM 531 SG CYS A 33 -9.079 5.117 14.440 1.00 0.00 S ATOM 0 H CYS A 33 -8.696 3.425 12.226 1.00 0.00 H new ATOM 0 HA CYS A 33 -6.749 5.412 12.813 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.806 3.067 14.467 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.880 4.401 15.127 1.00 0.00 H new ATOM 0 HG CYS A 33 -10.001 4.590 13.691 1.00 0.00 H new ATOM 537 N ASN A 34 -5.609 2.336 12.610 1.00 0.00 N ATOM 538 CA ASN A 34 -4.339 1.560 12.539 1.00 0.00 C ATOM 539 C ASN A 34 -3.445 2.154 11.450 1.00 0.00 C ATOM 540 O ASN A 34 -2.248 2.285 11.613 1.00 0.00 O ATOM 541 CB ASN A 34 -4.657 0.099 12.201 1.00 0.00 C ATOM 542 CG ASN A 34 -3.404 -0.757 12.378 1.00 0.00 C ATOM 543 OD1 ASN A 34 -2.344 -0.251 12.687 1.00 0.00 O ATOM 544 ND2 ASN A 34 -3.484 -2.047 12.192 1.00 0.00 N ATOM 0 H ASN A 34 -6.455 1.803 12.411 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.824 1.607 13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.454 -0.268 12.848 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.018 0.024 11.175 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.656 -2.631 12.306 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.375 -2.471 11.933 1.00 0.00 H new ATOM 551 N ILE A 35 -4.021 2.532 10.344 1.00 0.00 N ATOM 552 CA ILE A 35 -3.213 3.131 9.247 1.00 0.00 C ATOM 553 C ILE A 35 -2.590 4.440 9.735 1.00 0.00 C ATOM 554 O ILE A 35 -1.434 4.725 9.488 1.00 0.00 O ATOM 555 CB ILE A 35 -4.109 3.406 8.041 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.816 2.112 7.632 1.00 0.00 C ATOM 557 CG2 ILE A 35 -3.258 3.914 6.877 1.00 0.00 C ATOM 558 CD1 ILE A 35 -5.856 2.414 6.551 1.00 0.00 C ATOM 0 H ILE A 35 -5.020 2.452 10.152 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.423 2.438 8.956 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.851 4.161 8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.089 1.391 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.298 1.660 8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.898 4.110 6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.752 4.834 7.170 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.516 3.161 6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.358 1.491 6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.590 3.120 6.939 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.362 2.846 5.681 1.00 0.00 H new ATOM 570 N GLU A 36 -3.353 5.237 10.432 1.00 0.00 N ATOM 571 CA GLU A 36 -2.814 6.530 10.942 1.00 0.00 C ATOM 572 C GLU A 36 -1.527 6.259 11.723 1.00 0.00 C ATOM 573 O GLU A 36 -0.557 6.983 11.608 1.00 0.00 O ATOM 574 CB GLU A 36 -3.863 7.186 11.856 1.00 0.00 C ATOM 575 CG GLU A 36 -3.405 8.605 12.279 1.00 0.00 C ATOM 576 CD GLU A 36 -4.595 9.571 12.252 1.00 0.00 C ATOM 577 OE1 GLU A 36 -5.434 9.475 13.133 1.00 0.00 O ATOM 578 OE2 GLU A 36 -4.646 10.387 11.347 1.00 0.00 O ATOM 0 H GLU A 36 -4.327 5.049 10.670 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.594 7.202 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.819 7.246 11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.019 6.569 12.741 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.974 8.574 13.280 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.623 8.959 11.607 1.00 0.00 H new ATOM 585 N GLN A 37 -1.507 5.206 12.498 1.00 0.00 N ATOM 586 CA GLN A 37 -0.280 4.853 13.277 1.00 0.00 C ATOM 587 C GLN A 37 0.436 3.685 12.586 1.00 0.00 C ATOM 588 O GLN A 37 0.956 2.793 13.229 1.00 0.00 O ATOM 589 CB GLN A 37 -0.675 4.450 14.700 1.00 0.00 C ATOM 590 CG GLN A 37 -1.630 3.255 14.659 1.00 0.00 C ATOM 591 CD GLN A 37 -2.089 2.921 16.079 1.00 0.00 C ATOM 592 OE1 GLN A 37 -1.930 3.717 16.985 1.00 0.00 O ATOM 593 NE2 GLN A 37 -2.651 1.769 16.315 1.00 0.00 N ATOM 0 H GLN A 37 -2.294 4.570 12.626 1.00 0.00 H new ATOM 0 HA GLN A 37 0.388 5.713 13.322 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.215 4.195 15.275 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.152 5.290 15.206 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.491 3.485 14.032 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.133 2.393 14.214 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.784 1.101 15.555 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.957 1.535 17.259 1.00 0.00 H new ATOM 602 N SER A 38 0.461 3.684 11.279 1.00 0.00 N ATOM 603 CA SER A 38 1.132 2.578 10.536 1.00 0.00 C ATOM 604 C SER A 38 2.629 2.563 10.853 1.00 0.00 C ATOM 605 O SER A 38 3.196 3.548 11.288 1.00 0.00 O ATOM 606 CB SER A 38 0.926 2.779 9.032 1.00 0.00 C ATOM 607 OG SER A 38 1.290 4.108 8.682 1.00 0.00 O ATOM 0 H SER A 38 0.043 4.406 10.692 1.00 0.00 H new ATOM 0 HA SER A 38 0.697 1.626 10.842 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.530 2.065 8.472 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.115 2.593 8.768 1.00 0.00 H new ATOM 0 HG SER A 38 0.515 4.698 8.787 1.00 0.00 H new ATOM 613 N GLU A 39 3.267 1.439 10.638 1.00 0.00 N ATOM 614 CA GLU A 39 4.727 1.307 10.917 1.00 0.00 C ATOM 615 C GLU A 39 5.496 1.231 9.591 1.00 0.00 C ATOM 616 O GLU A 39 5.243 0.387 8.755 1.00 0.00 O ATOM 617 CB GLU A 39 4.957 0.034 11.756 1.00 0.00 C ATOM 618 CG GLU A 39 6.450 -0.393 11.740 1.00 0.00 C ATOM 619 CD GLU A 39 6.660 -1.570 10.775 1.00 0.00 C ATOM 620 OE1 GLU A 39 6.024 -1.584 9.737 1.00 0.00 O ATOM 621 OE2 GLU A 39 7.453 -2.439 11.098 1.00 0.00 O ATOM 0 H GLU A 39 2.828 0.593 10.274 1.00 0.00 H new ATOM 0 HA GLU A 39 5.088 2.172 11.474 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.639 0.211 12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.341 -0.777 11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.072 0.449 11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.764 -0.677 12.744 1.00 0.00 H new ATOM 628 N THR A 40 6.439 2.114 9.415 1.00 0.00 N ATOM 629 CA THR A 40 7.261 2.133 8.177 1.00 0.00 C ATOM 630 C THR A 40 6.369 2.070 6.933 1.00 0.00 C ATOM 631 O THR A 40 5.164 1.952 7.021 1.00 0.00 O ATOM 632 CB THR A 40 8.214 0.942 8.196 1.00 0.00 C ATOM 633 OG1 THR A 40 7.478 -0.248 8.439 1.00 0.00 O ATOM 634 CG2 THR A 40 9.262 1.136 9.296 1.00 0.00 C ATOM 0 H THR A 40 6.678 2.838 10.093 1.00 0.00 H new ATOM 0 HA THR A 40 7.829 3.062 8.140 1.00 0.00 H new ATOM 0 HB THR A 40 8.718 0.866 7.233 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.609 -0.193 7.989 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.941 0.283 9.306 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.828 2.048 9.103 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.765 1.215 10.263 1.00 0.00 H new ATOM 642 N ALA A 41 6.965 2.158 5.768 1.00 0.00 N ATOM 643 CA ALA A 41 6.174 2.114 4.499 1.00 0.00 C ATOM 644 C ALA A 41 6.277 0.701 3.883 1.00 0.00 C ATOM 645 O ALA A 41 7.363 0.174 3.754 1.00 0.00 O ATOM 646 CB ALA A 41 6.752 3.131 3.510 1.00 0.00 C ATOM 0 H ALA A 41 7.972 2.259 5.642 1.00 0.00 H new ATOM 0 HA ALA A 41 5.131 2.351 4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.179 3.103 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.696 4.130 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.793 2.884 3.301 1.00 0.00 H new ATOM 652 N PRO A 42 5.174 0.083 3.493 1.00 0.00 N ATOM 653 CA PRO A 42 5.204 -1.283 2.880 1.00 0.00 C ATOM 654 C PRO A 42 6.248 -1.432 1.761 1.00 0.00 C ATOM 655 O PRO A 42 6.483 -0.527 0.984 1.00 0.00 O ATOM 656 CB PRO A 42 3.798 -1.444 2.281 1.00 0.00 C ATOM 657 CG PRO A 42 2.909 -0.537 3.066 1.00 0.00 C ATOM 658 CD PRO A 42 3.792 0.593 3.612 1.00 0.00 C ATOM 0 HA PRO A 42 5.474 -2.031 3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.792 -1.178 1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.460 -2.478 2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.115 -0.136 2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.428 -1.078 3.880 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.658 1.511 3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.543 0.824 4.648 1.00 0.00 H new ATOM 666 N VAL A 43 6.851 -2.587 1.670 1.00 0.00 N ATOM 667 CA VAL A 43 7.858 -2.834 0.600 1.00 0.00 C ATOM 668 C VAL A 43 7.163 -2.840 -0.766 1.00 0.00 C ATOM 669 O VAL A 43 7.746 -2.480 -1.771 1.00 0.00 O ATOM 670 CB VAL A 43 8.543 -4.184 0.837 1.00 0.00 C ATOM 671 CG1 VAL A 43 9.486 -4.068 2.032 1.00 0.00 C ATOM 672 CG2 VAL A 43 7.495 -5.260 1.131 1.00 0.00 C ATOM 0 H VAL A 43 6.687 -3.375 2.296 1.00 0.00 H new ATOM 0 HA VAL A 43 8.608 -2.043 0.620 1.00 0.00 H new ATOM 0 HB VAL A 43 9.103 -4.461 -0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.975 -5.027 2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.240 -3.307 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.917 -3.787 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.992 -6.216 1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.930 -4.984 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.816 -5.347 0.283 1.00 0.00 H new ATOM 682 N VAL A 44 5.921 -3.246 -0.812 1.00 0.00 N ATOM 683 CA VAL A 44 5.190 -3.270 -2.114 1.00 0.00 C ATOM 684 C VAL A 44 5.068 -1.842 -2.655 1.00 0.00 C ATOM 685 O VAL A 44 5.095 -1.613 -3.848 1.00 0.00 O ATOM 686 CB VAL A 44 3.795 -3.877 -1.910 1.00 0.00 C ATOM 687 CG1 VAL A 44 3.012 -3.055 -0.887 1.00 0.00 C ATOM 688 CG2 VAL A 44 3.039 -3.885 -3.241 1.00 0.00 C ATOM 0 H VAL A 44 5.382 -3.562 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 44 5.740 -3.879 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 44 3.902 -4.898 -1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.023 -3.493 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.545 -3.054 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.908 -2.031 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.049 -4.316 -3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.939 -2.864 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.590 -4.481 -3.969 1.00 0.00 H new ATOM 698 N VAL A 45 4.944 -0.879 -1.783 1.00 0.00 N ATOM 699 CA VAL A 45 4.833 0.534 -2.243 1.00 0.00 C ATOM 700 C VAL A 45 6.107 0.919 -3.007 1.00 0.00 C ATOM 701 O VAL A 45 6.058 1.486 -4.085 1.00 0.00 O ATOM 702 CB VAL A 45 4.654 1.447 -1.021 1.00 0.00 C ATOM 703 CG1 VAL A 45 4.837 2.911 -1.437 1.00 0.00 C ATOM 704 CG2 VAL A 45 3.242 1.251 -0.446 1.00 0.00 C ATOM 0 H VAL A 45 4.915 -1.010 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 45 3.974 0.646 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 45 5.398 1.193 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.709 3.555 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.837 3.050 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.095 3.170 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.110 1.897 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.502 1.506 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.112 0.211 -0.147 1.00 0.00 H new ATOM 714 N LYS A 46 7.246 0.599 -2.462 1.00 0.00 N ATOM 715 CA LYS A 46 8.526 0.924 -3.152 1.00 0.00 C ATOM 716 C LYS A 46 8.571 0.186 -4.490 1.00 0.00 C ATOM 717 O LYS A 46 9.058 0.696 -5.480 1.00 0.00 O ATOM 718 CB LYS A 46 9.704 0.483 -2.281 1.00 0.00 C ATOM 719 CG LYS A 46 9.755 1.349 -1.022 1.00 0.00 C ATOM 720 CD LYS A 46 10.913 0.890 -0.134 1.00 0.00 C ATOM 721 CE LYS A 46 10.977 1.761 1.121 1.00 0.00 C ATOM 722 NZ LYS A 46 12.097 1.296 1.987 1.00 0.00 N ATOM 0 H LYS A 46 7.347 0.124 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 46 8.591 1.999 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.597 -0.567 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.637 0.575 -2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.884 2.397 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.814 1.274 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.779 -0.155 0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.853 0.956 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.125 2.805 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.034 1.705 1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.143 1.887 2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.937 0.305 2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.994 1.371 1.465 1.00 0.00 H new ATOM 736 N TYR A 47 8.062 -1.015 -4.523 1.00 0.00 N ATOM 737 CA TYR A 47 8.066 -1.795 -5.792 1.00 0.00 C ATOM 738 C TYR A 47 7.330 -0.995 -6.865 1.00 0.00 C ATOM 739 O TYR A 47 7.734 -0.950 -8.009 1.00 0.00 O ATOM 740 CB TYR A 47 7.350 -3.133 -5.579 1.00 0.00 C ATOM 741 CG TYR A 47 7.495 -3.985 -6.817 1.00 0.00 C ATOM 742 CD1 TYR A 47 8.610 -4.821 -6.951 1.00 0.00 C ATOM 743 CD2 TYR A 47 6.526 -3.942 -7.831 1.00 0.00 C ATOM 744 CE1 TYR A 47 8.757 -5.614 -8.094 1.00 0.00 C ATOM 745 CE2 TYR A 47 6.679 -4.736 -8.973 1.00 0.00 C ATOM 746 CZ TYR A 47 7.793 -5.571 -9.104 1.00 0.00 C ATOM 747 OH TYR A 47 7.939 -6.355 -10.229 1.00 0.00 O ATOM 0 H TYR A 47 7.643 -1.490 -3.724 1.00 0.00 H new ATOM 0 HA TYR A 47 9.093 -1.983 -6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.772 -3.650 -4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.295 -2.963 -5.363 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.357 -4.854 -6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.665 -3.298 -7.730 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.617 -6.260 -8.196 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.935 -4.704 -9.755 1.00 0.00 H new ATOM 0 HH TYR A 47 7.181 -6.206 -10.832 1.00 0.00 H new ATOM 757 N ILE A 48 6.253 -0.357 -6.503 1.00 0.00 N ATOM 758 CA ILE A 48 5.496 0.445 -7.501 1.00 0.00 C ATOM 759 C ILE A 48 6.402 1.556 -8.026 1.00 0.00 C ATOM 760 O ILE A 48 6.449 1.828 -9.209 1.00 0.00 O ATOM 761 CB ILE A 48 4.267 1.065 -6.833 1.00 0.00 C ATOM 762 CG1 ILE A 48 3.286 -0.045 -6.455 1.00 0.00 C ATOM 763 CG2 ILE A 48 3.589 2.033 -7.805 1.00 0.00 C ATOM 764 CD1 ILE A 48 2.182 0.526 -5.562 1.00 0.00 C ATOM 0 H ILE A 48 5.865 -0.357 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 48 5.174 -0.194 -8.323 1.00 0.00 H new ATOM 0 HB ILE A 48 4.573 1.606 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.851 -0.481 -7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.811 -0.846 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.714 2.474 -7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.289 2.822 -8.080 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.281 1.493 -8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.484 -0.267 -5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.625 0.941 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.650 1.311 -6.099 1.00 0.00 H new ATOM 776 N ALA A 49 7.127 2.199 -7.155 1.00 0.00 N ATOM 777 CA ALA A 49 8.035 3.290 -7.608 1.00 0.00 C ATOM 778 C ALA A 49 9.011 2.741 -8.653 1.00 0.00 C ATOM 779 O ALA A 49 9.345 3.406 -9.615 1.00 0.00 O ATOM 780 CB ALA A 49 8.827 3.832 -6.413 1.00 0.00 C ATOM 0 H ALA A 49 7.131 2.018 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 49 7.442 4.093 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.490 4.630 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.136 4.224 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.419 3.029 -5.974 1.00 0.00 H new ATOM 786 N PHE A 50 9.475 1.534 -8.475 1.00 0.00 N ATOM 787 CA PHE A 50 10.430 0.955 -9.464 1.00 0.00 C ATOM 788 C PHE A 50 9.748 0.865 -10.834 1.00 0.00 C ATOM 789 O PHE A 50 10.294 1.272 -11.841 1.00 0.00 O ATOM 790 CB PHE A 50 10.848 -0.448 -9.003 1.00 0.00 C ATOM 791 CG PHE A 50 12.120 -0.860 -9.708 1.00 0.00 C ATOM 792 CD1 PHE A 50 13.356 -0.403 -9.235 1.00 0.00 C ATOM 793 CD2 PHE A 50 12.065 -1.699 -10.827 1.00 0.00 C ATOM 794 CE1 PHE A 50 14.537 -0.784 -9.882 1.00 0.00 C ATOM 795 CE2 PHE A 50 13.246 -2.080 -11.473 1.00 0.00 C ATOM 796 CZ PHE A 50 14.482 -1.623 -11.000 1.00 0.00 C ATOM 0 H PHE A 50 9.236 0.926 -7.692 1.00 0.00 H new ATOM 0 HA PHE A 50 11.313 1.590 -9.540 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.000 -0.456 -7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.054 -1.163 -9.218 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.398 0.243 -8.371 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.112 -2.052 -11.191 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.490 -0.430 -9.518 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.204 -2.727 -12.337 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.393 -1.918 -11.499 1.00 0.00 H new ATOM 806 N LEU A 51 8.551 0.345 -10.872 1.00 0.00 N ATOM 807 CA LEU A 51 7.813 0.236 -12.166 1.00 0.00 C ATOM 808 C LEU A 51 7.535 1.643 -12.710 1.00 0.00 C ATOM 809 O LEU A 51 7.659 1.902 -13.894 1.00 0.00 O ATOM 810 CB LEU A 51 6.482 -0.510 -11.934 1.00 0.00 C ATOM 811 CG LEU A 51 6.689 -2.041 -11.903 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.855 -2.592 -13.321 1.00 0.00 C ATOM 813 CD2 LEU A 51 7.932 -2.402 -11.082 1.00 0.00 C ATOM 0 H LEU A 51 8.049 -0.011 -10.059 1.00 0.00 H new ATOM 0 HA LEU A 51 8.413 -0.317 -12.889 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.039 -0.183 -10.993 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.777 -0.253 -12.725 1.00 0.00 H new ATOM 0 HG LEU A 51 5.807 -2.485 -11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.000 -3.671 -13.277 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.962 -2.369 -13.905 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.722 -2.129 -13.792 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.060 -3.484 -11.073 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.811 -1.937 -11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.810 -2.042 -10.060 1.00 0.00 H new ATOM 825 N ARG A 52 7.165 2.554 -11.852 1.00 0.00 N ATOM 826 CA ARG A 52 6.884 3.947 -12.308 1.00 0.00 C ATOM 827 C ARG A 52 8.162 4.541 -12.908 1.00 0.00 C ATOM 828 O ARG A 52 8.135 5.228 -13.909 1.00 0.00 O ATOM 829 CB ARG A 52 6.455 4.805 -11.111 1.00 0.00 C ATOM 830 CG ARG A 52 6.032 6.201 -11.593 1.00 0.00 C ATOM 831 CD ARG A 52 5.884 7.142 -10.394 1.00 0.00 C ATOM 832 NE ARG A 52 4.695 6.766 -9.584 1.00 0.00 N ATOM 833 CZ ARG A 52 4.424 7.434 -8.499 1.00 0.00 C ATOM 834 NH1 ARG A 52 5.219 8.393 -8.117 1.00 0.00 N ATOM 835 NH2 ARG A 52 3.365 7.144 -7.794 1.00 0.00 N ATOM 0 H ARG A 52 7.045 2.394 -10.852 1.00 0.00 H new ATOM 0 HA ARG A 52 6.088 3.932 -13.052 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.628 4.326 -10.587 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.277 4.890 -10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.774 6.596 -12.287 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.089 6.138 -12.136 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.781 7.099 -9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.785 8.171 -10.741 1.00 0.00 H new ATOM 0 HE ARG A 52 4.097 5.992 -9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.048 8.617 -8.667 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.012 8.920 -7.268 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.745 6.391 -8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.158 7.670 -6.945 1.00 0.00 H new ATOM 849 N SER A 53 9.278 4.291 -12.282 1.00 0.00 N ATOM 850 CA SER A 53 10.569 4.845 -12.784 1.00 0.00 C ATOM 851 C SER A 53 10.794 4.416 -14.236 1.00 0.00 C ATOM 852 O SER A 53 11.568 5.014 -14.958 1.00 0.00 O ATOM 853 CB SER A 53 11.713 4.322 -11.914 1.00 0.00 C ATOM 854 OG SER A 53 12.936 4.896 -12.352 1.00 0.00 O ATOM 0 H SER A 53 9.353 3.723 -11.438 1.00 0.00 H new ATOM 0 HA SER A 53 10.537 5.933 -12.737 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.534 4.573 -10.868 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.765 3.235 -11.977 1.00 0.00 H new ATOM 0 HG SER A 53 13.671 4.564 -11.795 1.00 0.00 H new ATOM 860 N LYS A 54 10.124 3.384 -14.672 1.00 0.00 N ATOM 861 CA LYS A 54 10.294 2.912 -16.081 1.00 0.00 C ATOM 862 C LYS A 54 9.202 3.524 -16.964 1.00 0.00 C ATOM 863 O LYS A 54 9.096 3.221 -18.138 1.00 0.00 O ATOM 864 CB LYS A 54 10.192 1.388 -16.116 1.00 0.00 C ATOM 865 CG LYS A 54 11.410 0.781 -15.423 1.00 0.00 C ATOM 866 CD LYS A 54 11.273 -0.741 -15.385 1.00 0.00 C ATOM 867 CE LYS A 54 12.498 -1.343 -14.699 1.00 0.00 C ATOM 868 NZ LYS A 54 12.336 -2.820 -14.598 1.00 0.00 N ATOM 0 H LYS A 54 9.463 2.844 -14.113 1.00 0.00 H new ATOM 0 HA LYS A 54 11.270 3.221 -16.456 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.278 1.062 -15.620 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.136 1.040 -17.147 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.320 1.061 -15.954 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.498 1.174 -14.410 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.367 -1.022 -14.848 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.179 -1.134 -16.397 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.399 -1.103 -15.264 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.620 -0.911 -13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.187 -3.086 -13.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.515 -3.119 -15.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.192 -3.289 -14.957 1.00 0.00 H new ATOM 882 N GLY A 55 8.397 4.390 -16.412 1.00 0.00 N ATOM 883 CA GLY A 55 7.318 5.032 -17.219 1.00 0.00 C ATOM 884 C GLY A 55 6.106 4.099 -17.312 1.00 0.00 C ATOM 885 O GLY A 55 5.296 4.208 -18.212 1.00 0.00 O ATOM 0 H GLY A 55 8.439 4.682 -15.436 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.025 5.977 -16.763 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.688 5.262 -18.218 1.00 0.00 H new ATOM 889 N VAL A 56 5.978 3.187 -16.387 1.00 0.00 N ATOM 890 CA VAL A 56 4.822 2.246 -16.415 1.00 0.00 C ATOM 891 C VAL A 56 3.532 3.017 -16.139 1.00 0.00 C ATOM 892 O VAL A 56 3.456 3.827 -15.236 1.00 0.00 O ATOM 893 CB VAL A 56 5.040 1.162 -15.354 1.00 0.00 C ATOM 894 CG1 VAL A 56 3.827 0.221 -15.300 1.00 0.00 C ATOM 895 CG2 VAL A 56 6.296 0.363 -15.722 1.00 0.00 C ATOM 0 H VAL A 56 6.626 3.053 -15.611 1.00 0.00 H new ATOM 0 HA VAL A 56 4.741 1.775 -17.395 1.00 0.00 H new ATOM 0 HB VAL A 56 5.163 1.627 -14.376 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.994 -0.545 -14.542 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.934 0.793 -15.047 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.691 -0.254 -16.272 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.465 -0.413 -14.976 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.160 -0.098 -16.701 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.157 1.031 -15.752 1.00 0.00 H new ATOM 905 N ASP A 57 2.525 2.785 -16.936 1.00 0.00 N ATOM 906 CA ASP A 57 1.241 3.517 -16.755 1.00 0.00 C ATOM 907 C ASP A 57 0.450 2.910 -15.601 1.00 0.00 C ATOM 908 O ASP A 57 -0.518 2.202 -15.799 1.00 0.00 O ATOM 909 CB ASP A 57 0.418 3.412 -18.040 1.00 0.00 C ATOM 910 CG ASP A 57 1.256 3.910 -19.218 1.00 0.00 C ATOM 911 OD1 ASP A 57 1.703 5.044 -19.164 1.00 0.00 O ATOM 912 OD2 ASP A 57 1.443 3.146 -20.150 1.00 0.00 O ATOM 0 H ASP A 57 2.537 2.118 -17.707 1.00 0.00 H new ATOM 0 HA ASP A 57 1.453 4.563 -16.531 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.113 2.379 -18.207 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.493 4.003 -17.951 1.00 0.00 H new ATOM 917 N LEU A 58 0.849 3.195 -14.393 1.00 0.00 N ATOM 918 CA LEU A 58 0.116 2.656 -13.213 1.00 0.00 C ATOM 919 C LEU A 58 -0.968 3.653 -12.810 1.00 0.00 C ATOM 920 O LEU A 58 -1.910 3.323 -12.117 1.00 0.00 O ATOM 921 CB LEU A 58 1.102 2.458 -12.055 1.00 0.00 C ATOM 922 CG LEU A 58 1.562 3.833 -11.495 1.00 0.00 C ATOM 923 CD1 LEU A 58 0.781 4.173 -10.214 1.00 0.00 C ATOM 924 CD2 LEU A 58 3.064 3.790 -11.176 1.00 0.00 C ATOM 0 H LEU A 58 1.654 3.780 -14.171 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.343 1.698 -13.458 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.631 1.875 -11.264 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.967 1.890 -12.398 1.00 0.00 H new ATOM 0 HG LEU A 58 1.369 4.598 -12.247 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.112 5.138 -9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.285 4.218 -10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.961 3.404 -9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.381 4.757 -10.784 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.256 3.016 -10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.623 3.567 -12.085 1.00 0.00 H new ATOM 936 N ASN A 59 -0.839 4.874 -13.251 1.00 0.00 N ATOM 937 CA ASN A 59 -1.857 5.904 -12.913 1.00 0.00 C ATOM 938 C ASN A 59 -3.203 5.461 -13.479 1.00 0.00 C ATOM 939 O ASN A 59 -4.229 5.556 -12.833 1.00 0.00 O ATOM 940 CB ASN A 59 -1.449 7.240 -13.545 1.00 0.00 C ATOM 941 CG ASN A 59 -1.097 7.022 -15.020 1.00 0.00 C ATOM 942 OD1 ASN A 59 -0.777 5.923 -15.426 1.00 0.00 O ATOM 943 ND2 ASN A 59 -1.144 8.033 -15.846 1.00 0.00 N ATOM 0 H ASN A 59 -0.069 5.202 -13.833 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.930 6.023 -11.832 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.263 7.960 -13.457 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.594 7.659 -13.014 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.912 7.899 -16.830 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.413 8.957 -15.507 1.00 0.00 H new ATOM 950 N ALA A 60 -3.200 4.960 -14.681 1.00 0.00 N ATOM 951 CA ALA A 60 -4.468 4.488 -15.297 1.00 0.00 C ATOM 952 C ALA A 60 -4.961 3.242 -14.551 1.00 0.00 C ATOM 953 O ALA A 60 -6.147 3.023 -14.396 1.00 0.00 O ATOM 954 CB ALA A 60 -4.229 4.144 -16.771 1.00 0.00 C ATOM 0 H ALA A 60 -2.370 4.857 -15.265 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.220 5.275 -15.230 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.160 3.798 -17.220 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.879 5.031 -17.299 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.477 3.358 -16.844 1.00 0.00 H new ATOM 960 N LEU A 61 -4.051 2.419 -14.101 1.00 0.00 N ATOM 961 CA LEU A 61 -4.445 1.173 -13.377 1.00 0.00 C ATOM 962 C LEU A 61 -5.251 1.547 -12.123 1.00 0.00 C ATOM 963 O LEU A 61 -6.330 1.041 -11.887 1.00 0.00 O ATOM 964 CB LEU A 61 -3.161 0.429 -12.969 1.00 0.00 C ATOM 965 CG LEU A 61 -3.443 -1.060 -12.747 1.00 0.00 C ATOM 966 CD1 LEU A 61 -2.125 -1.767 -12.405 1.00 0.00 C ATOM 967 CD2 LEU A 61 -4.444 -1.244 -11.598 1.00 0.00 C ATOM 0 H LEU A 61 -3.046 2.557 -14.204 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.059 0.537 -14.015 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.404 0.549 -13.744 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.756 0.867 -12.057 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.872 -1.489 -13.653 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.313 -2.829 -12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.421 -1.643 -13.228 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.703 -1.332 -11.499 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.636 -2.307 -11.450 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.030 -0.819 -10.683 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.377 -0.737 -11.844 1.00 0.00 H new ATOM 979 N PHE A 62 -4.740 2.449 -11.334 1.00 0.00 N ATOM 980 CA PHE A 62 -5.472 2.883 -10.108 1.00 0.00 C ATOM 981 C PHE A 62 -6.701 3.704 -10.504 1.00 0.00 C ATOM 982 O PHE A 62 -7.724 3.665 -9.851 1.00 0.00 O ATOM 983 CB PHE A 62 -4.540 3.728 -9.226 1.00 0.00 C ATOM 984 CG PHE A 62 -3.672 2.818 -8.384 1.00 0.00 C ATOM 985 CD1 PHE A 62 -2.670 2.045 -8.985 1.00 0.00 C ATOM 986 CD2 PHE A 62 -3.881 2.739 -7.002 1.00 0.00 C ATOM 987 CE1 PHE A 62 -1.875 1.199 -8.201 1.00 0.00 C ATOM 988 CE2 PHE A 62 -3.088 1.896 -6.221 1.00 0.00 C ATOM 989 CZ PHE A 62 -2.087 1.122 -6.819 1.00 0.00 C ATOM 0 H PHE A 62 -3.842 2.908 -11.485 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.796 2.005 -9.549 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.915 4.368 -9.849 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.127 4.384 -8.583 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.511 2.101 -10.052 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.657 3.331 -6.539 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.099 0.606 -8.662 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.247 1.841 -5.154 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.478 0.466 -6.215 1.00 0.00 H new ATOM 999 N ASP A 63 -6.598 4.460 -11.559 1.00 0.00 N ATOM 1000 CA ASP A 63 -7.747 5.305 -11.993 1.00 0.00 C ATOM 1001 C ASP A 63 -8.962 4.422 -12.299 1.00 0.00 C ATOM 1002 O ASP A 63 -10.093 4.801 -12.068 1.00 0.00 O ATOM 1003 CB ASP A 63 -7.360 6.080 -13.254 1.00 0.00 C ATOM 1004 CG ASP A 63 -8.467 7.075 -13.606 1.00 0.00 C ATOM 1005 OD1 ASP A 63 -8.587 8.070 -12.911 1.00 0.00 O ATOM 1006 OD2 ASP A 63 -9.175 6.826 -14.568 1.00 0.00 O ATOM 0 H ASP A 63 -5.765 4.531 -12.143 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.999 6.000 -11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.420 6.608 -13.094 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.201 5.390 -14.082 1.00 0.00 H new ATOM 1011 N ARG A 64 -8.742 3.252 -12.825 1.00 0.00 N ATOM 1012 CA ARG A 64 -9.888 2.352 -13.141 1.00 0.00 C ATOM 1013 C ARG A 64 -10.518 1.837 -11.843 1.00 0.00 C ATOM 1014 O ARG A 64 -11.720 1.689 -11.738 1.00 0.00 O ATOM 1015 CB ARG A 64 -9.397 1.170 -13.980 1.00 0.00 C ATOM 1016 CG ARG A 64 -9.023 1.668 -15.376 1.00 0.00 C ATOM 1017 CD ARG A 64 -8.488 0.506 -16.212 1.00 0.00 C ATOM 1018 NE ARG A 64 -8.118 1.001 -17.567 1.00 0.00 N ATOM 1019 CZ ARG A 64 -7.339 0.285 -18.329 1.00 0.00 C ATOM 1020 NH1 ARG A 64 -6.891 -0.865 -17.907 1.00 0.00 N ATOM 1021 NH2 ARG A 64 -7.005 0.721 -19.513 1.00 0.00 N ATOM 0 H ARG A 64 -7.820 2.878 -13.050 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.636 2.909 -13.705 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.535 0.703 -13.504 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.174 0.409 -14.048 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.895 2.107 -15.862 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.270 2.453 -15.303 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.619 0.063 -15.725 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.243 -0.277 -16.292 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.473 1.898 -17.898 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.150 -1.204 -16.981 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.282 -1.425 -18.503 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.353 1.622 -19.842 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.396 0.161 -20.109 1.00 0.00 H new ATOM 1035 N ILE A 65 -9.710 1.547 -10.860 1.00 0.00 N ATOM 1036 CA ILE A 65 -10.250 1.019 -9.570 1.00 0.00 C ATOM 1037 C ILE A 65 -10.820 2.153 -8.711 1.00 0.00 C ATOM 1038 O ILE A 65 -12.019 2.300 -8.570 1.00 0.00 O ATOM 1039 CB ILE A 65 -9.119 0.338 -8.796 1.00 0.00 C ATOM 1040 CG1 ILE A 65 -8.547 -0.812 -9.628 1.00 0.00 C ATOM 1041 CG2 ILE A 65 -9.658 -0.212 -7.473 1.00 0.00 C ATOM 1042 CD1 ILE A 65 -7.257 -1.319 -8.979 1.00 0.00 C ATOM 0 H ILE A 65 -8.696 1.653 -10.893 1.00 0.00 H new ATOM 0 HA ILE A 65 -11.047 0.310 -9.792 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.334 1.067 -8.593 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.274 -1.621 -9.698 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.347 -0.475 -10.645 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.850 -0.696 -6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -10.062 0.606 -6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.446 -0.938 -7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.849 -2.138 -9.571 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.530 -0.508 -8.932 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.472 -1.672 -7.970 1.00 0.00 H new ATOM 1054 N ILE A 66 -9.965 2.943 -8.119 1.00 0.00 N ATOM 1055 CA ILE A 66 -10.440 4.055 -7.247 1.00 0.00 C ATOM 1056 C ILE A 66 -11.495 3.517 -6.270 1.00 0.00 C ATOM 1057 O ILE A 66 -11.224 2.639 -5.471 1.00 0.00 O ATOM 1058 CB ILE A 66 -11.049 5.179 -8.094 1.00 0.00 C ATOM 1059 CG1 ILE A 66 -10.095 5.537 -9.238 1.00 0.00 C ATOM 1060 CG2 ILE A 66 -11.266 6.422 -7.214 1.00 0.00 C ATOM 1061 CD1 ILE A 66 -10.780 6.539 -10.175 1.00 0.00 C ATOM 0 H ILE A 66 -8.951 2.865 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 66 -9.592 4.457 -6.692 1.00 0.00 H new ATOM 0 HB ILE A 66 -12.002 4.844 -8.504 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.175 5.965 -8.839 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -9.816 4.639 -9.789 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -11.699 7.222 -7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -11.943 6.175 -6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -10.310 6.751 -6.807 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -10.104 6.796 -10.990 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.687 6.094 -10.583 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.037 7.441 -9.619 1.00 0.00 H new ATOM 1073 N VAL A 67 -12.695 4.050 -6.324 1.00 0.00 N ATOM 1074 CA VAL A 67 -13.788 3.606 -5.403 1.00 0.00 C ATOM 1075 C VAL A 67 -14.948 3.017 -6.217 1.00 0.00 C ATOM 1076 O VAL A 67 -15.379 3.584 -7.202 1.00 0.00 O ATOM 1077 CB VAL A 67 -14.279 4.818 -4.602 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -15.572 4.470 -3.855 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -13.203 5.223 -3.590 1.00 0.00 C ATOM 0 H VAL A 67 -12.965 4.785 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.412 2.841 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 67 -14.475 5.643 -5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -15.911 5.338 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -16.340 4.182 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -15.385 3.642 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.547 6.085 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -13.009 4.391 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.285 5.482 -4.118 1.00 0.00 H new ATOM 1089 N ASN A 68 -15.451 1.882 -5.800 1.00 0.00 N ATOM 1090 CA ASN A 68 -16.591 1.236 -6.519 1.00 0.00 C ATOM 1091 C ASN A 68 -16.233 0.995 -7.987 1.00 0.00 C ATOM 1092 O ASN A 68 -15.231 1.472 -8.486 1.00 0.00 O ATOM 1093 CB ASN A 68 -17.834 2.131 -6.429 1.00 0.00 C ATOM 1094 CG ASN A 68 -18.258 2.253 -4.965 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -17.710 1.473 -4.074 1.00 0.00 O flip ATOM 1096 ND2 ASN A 68 -19.091 3.071 -4.627 1.00 0.00 N flip ATOM 0 H ASN A 68 -15.117 1.370 -4.983 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.800 0.275 -6.049 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -17.618 3.117 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -18.645 1.708 -7.021 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.519 3.681 -5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.362 3.148 -3.647 1.00 0.00 H new ATOM 1103 N LYS A 69 -17.050 0.238 -8.672 1.00 0.00 N ATOM 1104 CA LYS A 69 -16.787 -0.072 -10.106 1.00 0.00 C ATOM 1105 C LYS A 69 -17.263 1.077 -10.999 1.00 0.00 C ATOM 1106 O LYS A 69 -18.110 1.867 -10.626 1.00 0.00 O ATOM 1107 CB LYS A 69 -17.522 -1.362 -10.482 1.00 0.00 C ATOM 1108 CG LYS A 69 -17.173 -1.752 -11.918 1.00 0.00 C ATOM 1109 CD LYS A 69 -17.811 -3.100 -12.248 1.00 0.00 C ATOM 1110 CE LYS A 69 -17.451 -3.491 -13.680 1.00 0.00 C ATOM 1111 NZ LYS A 69 -15.973 -3.655 -13.794 1.00 0.00 N ATOM 0 H LYS A 69 -17.898 -0.183 -8.293 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.715 -0.201 -10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -17.242 -2.164 -9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -18.598 -1.221 -10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.530 -0.989 -12.610 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.091 -1.810 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.460 -3.862 -11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.894 -3.040 -12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.953 -4.420 -13.952 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.797 -2.726 -14.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.760 -4.542 -14.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.575 -2.854 -14.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.553 -3.684 -12.843 1.00 0.00 H new ATOM 1125 N LEU A 70 -16.710 1.171 -12.178 1.00 0.00 N ATOM 1126 CA LEU A 70 -17.093 2.256 -13.122 1.00 0.00 C ATOM 1127 C LEU A 70 -18.617 2.323 -13.279 1.00 0.00 C ATOM 1128 O LEU A 70 -19.333 1.379 -13.005 1.00 0.00 O ATOM 1129 CB LEU A 70 -16.447 1.982 -14.483 1.00 0.00 C ATOM 1130 CG LEU A 70 -14.932 1.815 -14.310 1.00 0.00 C ATOM 1131 CD1 LEU A 70 -14.300 1.511 -15.671 1.00 0.00 C ATOM 1132 CD2 LEU A 70 -14.322 3.105 -13.732 1.00 0.00 C ATOM 0 H LEU A 70 -15.998 0.531 -12.531 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.745 3.211 -12.728 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.874 1.082 -14.925 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.656 2.803 -15.168 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.736 0.993 -13.622 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.223 1.391 -15.553 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.726 0.591 -16.072 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.501 2.334 -16.357 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.246 2.977 -13.613 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.516 3.935 -14.411 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.772 3.317 -12.762 1.00 0.00 H new ATOM 1144 N GLU A 71 -19.104 3.457 -13.707 1.00 0.00 N ATOM 1145 CA GLU A 71 -20.577 3.655 -13.885 1.00 0.00 C ATOM 1146 C GLU A 71 -21.163 2.528 -14.752 1.00 0.00 C ATOM 1147 O GLU A 71 -20.498 1.565 -15.085 1.00 0.00 O ATOM 1148 CB GLU A 71 -20.850 5.034 -14.559 1.00 0.00 C ATOM 1149 CG GLU A 71 -19.539 5.675 -15.040 1.00 0.00 C ATOM 1150 CD GLU A 71 -18.827 4.734 -16.017 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -19.511 3.977 -16.686 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -17.609 4.788 -16.080 1.00 0.00 O ATOM 0 H GLU A 71 -18.536 4.270 -13.945 1.00 0.00 H new ATOM 0 HA GLU A 71 -21.055 3.633 -12.906 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -21.527 4.904 -15.403 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -21.346 5.698 -13.851 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.747 6.628 -15.526 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -18.893 5.886 -14.188 1.00 0.00 H new ATOM 1159 N HIS A 72 -22.414 2.657 -15.117 1.00 0.00 N ATOM 1160 CA HIS A 72 -23.073 1.623 -15.965 1.00 0.00 C ATOM 1161 C HIS A 72 -22.151 1.280 -17.137 1.00 0.00 C ATOM 1162 O HIS A 72 -22.156 1.936 -18.161 1.00 0.00 O ATOM 1163 CB HIS A 72 -24.398 2.184 -16.488 1.00 0.00 C ATOM 1164 CG HIS A 72 -25.141 2.823 -15.347 1.00 0.00 C ATOM 1165 ND1 HIS A 72 -25.163 4.113 -14.876 1.00 0.00 N flip ATOM 1166 CD2 HIS A 72 -25.978 2.100 -14.508 1.00 0.00 C flip ATOM 1167 CE1 HIS A 72 -25.995 4.189 -13.766 1.00 0.00 C flip ATOM 1168 NE2 HIS A 72 -26.461 2.952 -13.584 1.00 0.00 N flip ATOM 0 H HIS A 72 -23.011 3.443 -14.860 1.00 0.00 H new ATOM 0 HA HIS A 72 -23.266 0.721 -15.384 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -24.213 2.916 -17.274 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -24.997 1.387 -16.929 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -26.201 1.046 -14.583 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -26.218 5.065 -13.175 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -27.103 2.685 -12.838 1.00 0.00 H new ATOM 1176 N HIS A 73 -21.349 0.265 -16.983 1.00 0.00 N ATOM 1177 CA HIS A 73 -20.405 -0.121 -18.068 1.00 0.00 C ATOM 1178 C HIS A 73 -21.183 -0.677 -19.267 1.00 0.00 C ATOM 1179 O HIS A 73 -22.096 -1.467 -19.121 1.00 0.00 O ATOM 1180 CB HIS A 73 -19.439 -1.180 -17.533 1.00 0.00 C ATOM 1181 CG HIS A 73 -18.351 -1.426 -18.538 1.00 0.00 C ATOM 1182 ND1 HIS A 73 -17.686 -0.391 -19.181 1.00 0.00 N ATOM 1183 CD2 HIS A 73 -17.790 -2.585 -19.012 1.00 0.00 C ATOM 1184 CE1 HIS A 73 -16.771 -0.944 -19.999 1.00 0.00 C ATOM 1185 NE2 HIS A 73 -16.796 -2.276 -19.932 1.00 0.00 N ATOM 0 H HIS A 73 -21.306 -0.318 -16.147 1.00 0.00 H new ATOM 0 HA HIS A 73 -19.844 0.755 -18.394 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -19.007 -0.848 -16.589 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -19.976 -2.107 -17.330 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -18.077 -3.583 -18.716 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -16.101 -0.380 -20.630 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -16.208 -2.931 -20.448 1.00 0.00 H new ATOM 1193 N HIS A 74 -20.829 -0.254 -20.452 1.00 0.00 N ATOM 1194 CA HIS A 74 -21.542 -0.733 -21.672 1.00 0.00 C ATOM 1195 C HIS A 74 -21.048 -2.141 -22.036 1.00 0.00 C ATOM 1196 O HIS A 74 -19.924 -2.509 -21.753 1.00 0.00 O ATOM 1197 CB HIS A 74 -21.262 0.234 -22.834 1.00 0.00 C ATOM 1198 CG HIS A 74 -21.166 1.638 -22.301 1.00 0.00 C ATOM 1199 ND1 HIS A 74 -20.042 2.091 -21.625 1.00 0.00 N ATOM 1200 CD2 HIS A 74 -22.041 2.697 -22.325 1.00 0.00 C ATOM 1201 CE1 HIS A 74 -20.266 3.369 -21.271 1.00 0.00 C ATOM 1202 NE2 HIS A 74 -21.467 3.785 -21.674 1.00 0.00 N ATOM 0 H HIS A 74 -20.072 0.407 -20.628 1.00 0.00 H new ATOM 0 HA HIS A 74 -22.614 -0.769 -21.481 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -20.334 -0.041 -23.335 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -22.057 0.168 -23.577 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -23.021 2.687 -22.778 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -19.561 3.982 -20.728 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -21.879 4.708 -21.534 1.00 0.00 H new ATOM 1210 N HIS A 75 -21.884 -2.928 -22.661 1.00 0.00 N ATOM 1211 CA HIS A 75 -21.474 -4.309 -23.048 1.00 0.00 C ATOM 1212 C HIS A 75 -20.692 -4.255 -24.365 1.00 0.00 C ATOM 1213 O HIS A 75 -21.136 -3.675 -25.337 1.00 0.00 O ATOM 1214 CB HIS A 75 -22.721 -5.177 -23.230 1.00 0.00 C ATOM 1215 CG HIS A 75 -22.317 -6.615 -23.397 1.00 0.00 C ATOM 1216 ND1 HIS A 75 -21.005 -7.039 -23.245 1.00 0.00 N ATOM 1217 CD2 HIS A 75 -23.044 -7.741 -23.697 1.00 0.00 C ATOM 1218 CE1 HIS A 75 -20.982 -8.368 -23.453 1.00 0.00 C ATOM 1219 NE2 HIS A 75 -22.198 -8.842 -23.731 1.00 0.00 N ATOM 0 H HIS A 75 -22.837 -2.672 -22.921 1.00 0.00 H new ATOM 0 HA HIS A 75 -20.845 -4.737 -22.267 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -23.378 -5.072 -22.367 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -23.284 -4.844 -24.102 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -24.108 -7.766 -23.878 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.091 -8.975 -23.401 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -22.453 -9.810 -23.927 1.00 0.00 H new ATOM 1227 N HIS A 76 -19.527 -4.854 -24.402 1.00 0.00 N ATOM 1228 CA HIS A 76 -18.701 -4.841 -25.652 1.00 0.00 C ATOM 1229 C HIS A 76 -18.860 -6.171 -26.399 1.00 0.00 C ATOM 1230 O HIS A 76 -18.583 -7.228 -25.868 1.00 0.00 O ATOM 1231 CB HIS A 76 -17.224 -4.635 -25.279 1.00 0.00 C ATOM 1232 CG HIS A 76 -16.468 -4.072 -26.455 1.00 0.00 C ATOM 1233 ND1 HIS A 76 -15.521 -3.068 -26.312 1.00 0.00 N ATOM 1234 CD2 HIS A 76 -16.507 -4.363 -27.797 1.00 0.00 C ATOM 1235 CE1 HIS A 76 -15.032 -2.794 -27.536 1.00 0.00 C ATOM 1236 NE2 HIS A 76 -15.601 -3.555 -28.473 1.00 0.00 N ATOM 0 H HIS A 76 -19.110 -5.354 -23.617 1.00 0.00 H new ATOM 0 HA HIS A 76 -19.036 -4.029 -26.298 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -17.146 -3.958 -24.429 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.782 -5.583 -24.973 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.144 -5.105 -28.256 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -14.274 -2.051 -27.735 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.411 -3.546 -29.475 1.00 0.00 H new ATOM 1244 N HIS A 77 -19.290 -6.121 -27.634 1.00 0.00 N ATOM 1245 CA HIS A 77 -19.453 -7.377 -28.424 1.00 0.00 C ATOM 1246 C HIS A 77 -19.770 -7.029 -29.882 1.00 0.00 C ATOM 1247 O HIS A 77 -20.876 -7.318 -30.313 1.00 0.00 O ATOM 1248 CB HIS A 77 -20.595 -8.214 -27.840 1.00 0.00 C ATOM 1249 CG HIS A 77 -20.539 -9.606 -28.411 1.00 0.00 C ATOM 1250 ND1 HIS A 77 -19.691 -10.581 -27.904 1.00 0.00 N ATOM 1251 CD2 HIS A 77 -21.215 -10.201 -29.449 1.00 0.00 C ATOM 1252 CE1 HIS A 77 -19.876 -11.699 -28.631 1.00 0.00 C ATOM 1253 NE2 HIS A 77 -20.793 -11.519 -29.583 1.00 0.00 N ATOM 1254 OXT HIS A 77 -18.903 -6.483 -30.543 1.00 0.00 O ATOM 0 H HIS A 77 -19.535 -5.264 -28.129 1.00 0.00 H new ATOM 0 HA HIS A 77 -18.527 -7.950 -28.379 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -20.514 -8.251 -26.754 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -21.555 -7.752 -28.073 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -21.959 -9.719 -30.066 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -19.348 -12.626 -28.464 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -21.117 -12.204 -30.266 1.00 0.00 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 -9.725 -8.189 -12.873 1.00 0.00 N ATOM 1264 CA MET B 1 -8.300 -8.618 -12.845 1.00 0.00 C ATOM 1265 C MET B 1 -7.702 -8.289 -11.474 1.00 0.00 C ATOM 1266 O MET B 1 -7.870 -7.204 -10.954 1.00 0.00 O ATOM 1267 CB MET B 1 -7.527 -7.882 -13.945 1.00 0.00 C ATOM 1268 CG MET B 1 -8.041 -8.317 -15.323 1.00 0.00 C ATOM 1269 SD MET B 1 -7.697 -10.077 -15.583 1.00 0.00 S ATOM 1270 CE MET B 1 -6.079 -9.882 -16.368 1.00 0.00 C ATOM 0 H1 MET B 1 -10.228 -8.705 -13.623 1.00 0.00 H new ATOM 0 H2 MET B 1 -10.167 -8.394 -11.954 1.00 0.00 H new ATOM 0 H3 MET B 1 -9.776 -7.168 -13.062 1.00 0.00 H new ATOM 0 HA MET B 1 -8.232 -9.692 -13.018 1.00 0.00 H new ATOM 0 HB2 MET B 1 -7.645 -6.805 -13.826 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.462 -8.097 -13.860 1.00 0.00 H new ATOM 0 HG2 MET B 1 -9.113 -8.133 -15.396 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.562 -7.725 -16.103 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.620 -10.861 -16.504 1.00 0.00 H new ATOM 0 HE2 MET B 1 -6.201 -9.400 -17.338 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.439 -9.267 -15.735 1.00 0.00 H new ATOM 1282 N GLU B 2 -7.022 -9.233 -10.881 1.00 0.00 N ATOM 1283 CA GLU B 2 -6.423 -9.010 -9.532 1.00 0.00 C ATOM 1284 C GLU B 2 -5.214 -8.080 -9.639 1.00 0.00 C ATOM 1285 O GLU B 2 -4.526 -8.047 -10.640 1.00 0.00 O ATOM 1286 CB GLU B 2 -5.969 -10.356 -8.958 1.00 0.00 C ATOM 1287 CG GLU B 2 -7.153 -11.324 -8.920 1.00 0.00 C ATOM 1288 CD GLU B 2 -8.182 -10.855 -7.889 1.00 0.00 C ATOM 1289 OE1 GLU B 2 -7.874 -9.943 -7.141 1.00 0.00 O ATOM 1290 OE2 GLU B 2 -9.261 -11.424 -7.860 1.00 0.00 O ATOM 0 H GLU B 2 -6.854 -10.158 -11.277 1.00 0.00 H new ATOM 0 HA GLU B 2 -7.169 -8.554 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -5.167 -10.771 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -5.567 -10.218 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -7.615 -11.384 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -6.806 -12.326 -8.669 1.00 0.00 H new ATOM 1297 N LEU B 3 -4.952 -7.325 -8.606 1.00 0.00 N ATOM 1298 CA LEU B 3 -3.787 -6.395 -8.632 1.00 0.00 C ATOM 1299 C LEU B 3 -2.495 -7.204 -8.761 1.00 0.00 C ATOM 1300 O LEU B 3 -1.609 -6.872 -9.523 1.00 0.00 O ATOM 1301 CB LEU B 3 -3.752 -5.594 -7.322 1.00 0.00 C ATOM 1302 CG LEU B 3 -4.751 -4.441 -7.393 1.00 0.00 C ATOM 1303 CD1 LEU B 3 -6.174 -4.996 -7.493 1.00 0.00 C ATOM 1304 CD2 LEU B 3 -4.626 -3.584 -6.131 1.00 0.00 C ATOM 0 H LEU B 3 -5.496 -7.312 -7.743 1.00 0.00 H new ATOM 0 HA LEU B 3 -3.880 -5.715 -9.479 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -3.993 -6.244 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -2.748 -5.207 -7.149 1.00 0.00 H new ATOM 0 HG LEU B 3 -4.539 -3.832 -8.272 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.884 -4.170 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -6.264 -5.607 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -6.389 -5.606 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -5.338 -2.760 -6.179 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -4.837 -4.195 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -3.614 -3.185 -6.061 1.00 0.00 H new ATOM 1316 N SER B 4 -2.391 -8.265 -8.017 1.00 0.00 N ATOM 1317 CA SER B 4 -1.167 -9.118 -8.073 1.00 0.00 C ATOM 1318 C SER B 4 -0.973 -9.645 -9.494 1.00 0.00 C ATOM 1319 O SER B 4 0.136 -9.822 -9.961 1.00 0.00 O ATOM 1320 CB SER B 4 -1.319 -10.300 -7.111 1.00 0.00 C ATOM 1321 OG SER B 4 -0.353 -11.294 -7.431 1.00 0.00 O ATOM 0 H SER B 4 -3.107 -8.584 -7.364 1.00 0.00 H new ATOM 0 HA SER B 4 -0.301 -8.522 -7.784 1.00 0.00 H new ATOM 0 HB2 SER B 4 -1.186 -9.966 -6.082 1.00 0.00 H new ATOM 0 HB3 SER B 4 -2.324 -10.716 -7.184 1.00 0.00 H new ATOM 0 HG SER B 4 -0.196 -11.861 -6.648 1.00 0.00 H new ATOM 1327 N ASN B 5 -2.047 -9.907 -10.178 1.00 0.00 N ATOM 1328 CA ASN B 5 -1.942 -10.437 -11.565 1.00 0.00 C ATOM 1329 C ASN B 5 -1.190 -9.426 -12.441 1.00 0.00 C ATOM 1330 O ASN B 5 -0.435 -9.789 -13.320 1.00 0.00 O ATOM 1331 CB ASN B 5 -3.347 -10.662 -12.129 1.00 0.00 C ATOM 1332 CG ASN B 5 -3.253 -11.305 -13.515 1.00 0.00 C ATOM 1333 OD1 ASN B 5 -3.596 -10.614 -14.566 1.00 0.00 O flip ATOM 1334 ND2 ASN B 5 -2.861 -12.447 -13.641 1.00 0.00 N flip ATOM 0 H ASN B 5 -2.999 -9.777 -9.836 1.00 0.00 H new ATOM 0 HA ASN B 5 -1.399 -11.382 -11.557 1.00 0.00 H new ATOM 0 HB2 ASN B 5 -3.919 -11.303 -11.459 1.00 0.00 H new ATOM 0 HB3 ASN B 5 -3.879 -9.713 -12.194 1.00 0.00 H new ATOM 0 HD21 ASN B 5 -2.593 -12.988 -12.819 1.00 0.00 H new ATOM 0 HD22 ASN B 5 -2.800 -12.866 -14.569 1.00 0.00 H new ATOM 1341 N GLU B 6 -1.399 -8.158 -12.223 1.00 0.00 N ATOM 1342 CA GLU B 6 -0.691 -7.142 -13.053 1.00 0.00 C ATOM 1343 C GLU B 6 0.763 -6.989 -12.583 1.00 0.00 C ATOM 1344 O GLU B 6 1.649 -6.691 -13.363 1.00 0.00 O ATOM 1345 CB GLU B 6 -1.392 -5.786 -12.949 1.00 0.00 C ATOM 1346 CG GLU B 6 -0.860 -4.855 -14.058 1.00 0.00 C ATOM 1347 CD GLU B 6 -1.687 -5.030 -15.336 1.00 0.00 C ATOM 1348 OE1 GLU B 6 -1.400 -5.950 -16.082 1.00 0.00 O ATOM 1349 OE2 GLU B 6 -2.591 -4.238 -15.545 1.00 0.00 O ATOM 0 H GLU B 6 -2.025 -7.782 -11.511 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.706 -7.481 -14.089 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -2.470 -5.912 -13.049 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -1.212 -5.344 -11.969 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.906 -3.818 -13.726 1.00 0.00 H new ATOM 0 HG3 GLU B 6 0.187 -5.079 -14.260 1.00 0.00 H new ATOM 1356 N LEU B 7 1.018 -7.181 -11.315 1.00 0.00 N ATOM 1357 CA LEU B 7 2.417 -7.033 -10.804 1.00 0.00 C ATOM 1358 C LEU B 7 3.341 -8.039 -11.505 1.00 0.00 C ATOM 1359 O LEU B 7 4.430 -7.704 -11.931 1.00 0.00 O ATOM 1360 CB LEU B 7 2.435 -7.301 -9.278 1.00 0.00 C ATOM 1361 CG LEU B 7 2.275 -5.994 -8.468 1.00 0.00 C ATOM 1362 CD1 LEU B 7 3.601 -5.212 -8.453 1.00 0.00 C ATOM 1363 CD2 LEU B 7 1.169 -5.107 -9.067 1.00 0.00 C ATOM 0 H LEU B 7 0.323 -7.433 -10.612 1.00 0.00 H new ATOM 0 HA LEU B 7 2.768 -6.021 -11.008 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.631 -7.990 -9.020 1.00 0.00 H new ATOM 0 HB3 LEU B 7 3.372 -7.787 -9.004 1.00 0.00 H new ATOM 0 HG LEU B 7 1.997 -6.263 -7.449 1.00 0.00 H new ATOM 0 HD11 LEU B 7 3.475 -4.294 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.378 -5.823 -7.994 1.00 0.00 H new ATOM 0 HD13 LEU B 7 3.889 -4.965 -9.475 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.076 -4.194 -8.479 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.424 -4.852 -10.096 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.222 -5.646 -9.051 1.00 0.00 H new ATOM 1375 N LYS B 8 2.919 -9.265 -11.627 1.00 0.00 N ATOM 1376 CA LYS B 8 3.782 -10.279 -12.296 1.00 0.00 C ATOM 1377 C LYS B 8 3.803 -10.012 -13.805 1.00 0.00 C ATOM 1378 O LYS B 8 4.816 -10.161 -14.461 1.00 0.00 O ATOM 1379 CB LYS B 8 3.239 -11.688 -12.003 1.00 0.00 C ATOM 1380 CG LYS B 8 1.934 -11.914 -12.764 1.00 0.00 C ATOM 1381 CD LYS B 8 1.320 -13.248 -12.351 1.00 0.00 C ATOM 1382 CE LYS B 8 0.141 -13.551 -13.272 1.00 0.00 C ATOM 1383 NZ LYS B 8 -0.515 -14.815 -12.842 1.00 0.00 N ATOM 0 H LYS B 8 2.018 -9.609 -11.295 1.00 0.00 H new ATOM 0 HA LYS B 8 4.800 -10.211 -11.913 1.00 0.00 H new ATOM 0 HB2 LYS B 8 3.974 -12.438 -12.295 1.00 0.00 H new ATOM 0 HB3 LYS B 8 3.071 -11.806 -10.933 1.00 0.00 H new ATOM 0 HG2 LYS B 8 1.236 -11.102 -12.557 1.00 0.00 H new ATOM 0 HG3 LYS B 8 2.122 -11.907 -13.838 1.00 0.00 H new ATOM 0 HD2 LYS B 8 2.064 -14.042 -12.416 1.00 0.00 H new ATOM 0 HD3 LYS B 8 0.988 -13.206 -11.314 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -0.575 -12.730 -13.245 1.00 0.00 H new ATOM 0 HE3 LYS B 8 0.485 -13.640 -14.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -1.318 -15.020 -13.470 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 0.171 -15.596 -12.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -0.857 -14.714 -11.865 1.00 0.00 H new ATOM 1397 N VAL B 9 2.682 -9.628 -14.361 1.00 0.00 N ATOM 1398 CA VAL B 9 2.630 -9.364 -15.828 1.00 0.00 C ATOM 1399 C VAL B 9 3.601 -8.238 -16.192 1.00 0.00 C ATOM 1400 O VAL B 9 4.424 -8.391 -17.072 1.00 0.00 O ATOM 1401 CB VAL B 9 1.205 -8.952 -16.210 1.00 0.00 C ATOM 1402 CG1 VAL B 9 1.178 -8.484 -17.670 1.00 0.00 C ATOM 1403 CG2 VAL B 9 0.255 -10.151 -16.025 1.00 0.00 C ATOM 0 H VAL B 9 1.803 -9.487 -13.863 1.00 0.00 H new ATOM 0 HA VAL B 9 2.915 -10.266 -16.369 1.00 0.00 H new ATOM 0 HB VAL B 9 0.879 -8.134 -15.568 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.163 -8.191 -17.940 1.00 0.00 H new ATOM 0 HG12 VAL B 9 1.846 -7.631 -17.791 1.00 0.00 H new ATOM 0 HG13 VAL B 9 1.506 -9.296 -18.319 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -0.759 -9.857 -16.297 1.00 0.00 H new ATOM 0 HG22 VAL B 9 0.578 -10.973 -16.663 1.00 0.00 H new ATOM 0 HG23 VAL B 9 0.273 -10.472 -14.983 1.00 0.00 H new ATOM 1413 N GLU B 10 3.543 -7.115 -15.518 1.00 0.00 N ATOM 1414 CA GLU B 10 4.499 -6.028 -15.853 1.00 0.00 C ATOM 1415 C GLU B 10 5.925 -6.534 -15.637 1.00 0.00 C ATOM 1416 O GLU B 10 6.842 -6.155 -16.340 1.00 0.00 O ATOM 1417 CB GLU B 10 4.221 -4.816 -14.964 1.00 0.00 C ATOM 1418 CG GLU B 10 2.911 -4.170 -15.410 1.00 0.00 C ATOM 1419 CD GLU B 10 2.514 -3.080 -14.417 1.00 0.00 C ATOM 1420 OE1 GLU B 10 2.635 -3.319 -13.227 1.00 0.00 O ATOM 1421 OE2 GLU B 10 2.095 -2.026 -14.863 1.00 0.00 O ATOM 0 H GLU B 10 2.886 -6.911 -14.765 1.00 0.00 H new ATOM 0 HA GLU B 10 4.381 -5.732 -16.895 1.00 0.00 H new ATOM 0 HB2 GLU B 10 4.155 -5.121 -13.920 1.00 0.00 H new ATOM 0 HB3 GLU B 10 5.039 -4.099 -15.036 1.00 0.00 H new ATOM 0 HG2 GLU B 10 3.025 -3.744 -16.407 1.00 0.00 H new ATOM 0 HG3 GLU B 10 2.125 -4.923 -15.473 1.00 0.00 H new ATOM 1428 N ARG B 11 6.117 -7.395 -14.676 1.00 0.00 N ATOM 1429 CA ARG B 11 7.483 -7.936 -14.424 1.00 0.00 C ATOM 1430 C ARG B 11 7.957 -8.709 -15.671 1.00 0.00 C ATOM 1431 O ARG B 11 9.051 -8.500 -16.176 1.00 0.00 O ATOM 1432 CB ARG B 11 7.408 -8.883 -13.193 1.00 0.00 C ATOM 1433 CG ARG B 11 8.594 -8.656 -12.240 1.00 0.00 C ATOM 1434 CD ARG B 11 9.874 -9.249 -12.834 1.00 0.00 C ATOM 1435 NE ARG B 11 9.920 -10.716 -12.575 1.00 0.00 N ATOM 1436 CZ ARG B 11 10.975 -11.402 -12.921 1.00 0.00 C ATOM 1437 NH1 ARG B 11 11.961 -10.810 -13.536 1.00 0.00 N ATOM 1438 NH2 ARG B 11 11.041 -12.678 -12.655 1.00 0.00 N ATOM 0 H ARG B 11 5.388 -7.747 -14.055 1.00 0.00 H new ATOM 0 HA ARG B 11 8.190 -7.131 -14.224 1.00 0.00 H new ATOM 0 HB2 ARG B 11 6.473 -8.716 -12.659 1.00 0.00 H new ATOM 0 HB3 ARG B 11 7.402 -9.920 -13.529 1.00 0.00 H new ATOM 0 HG2 ARG B 11 8.728 -7.589 -12.063 1.00 0.00 H new ATOM 0 HG3 ARG B 11 8.386 -9.116 -11.274 1.00 0.00 H new ATOM 0 HD2 ARG B 11 9.910 -9.059 -13.907 1.00 0.00 H new ATOM 0 HD3 ARG B 11 10.747 -8.766 -12.395 1.00 0.00 H new ATOM 0 HE ARG B 11 9.130 -11.182 -12.129 1.00 0.00 H new ATOM 0 HH11 ARG B 11 11.906 -9.813 -13.745 1.00 0.00 H new ATOM 0 HH12 ARG B 11 12.787 -11.344 -13.808 1.00 0.00 H new ATOM 0 HH21 ARG B 11 10.268 -13.140 -12.176 1.00 0.00 H new ATOM 0 HH22 ARG B 11 11.866 -13.213 -12.926 1.00 0.00 H new ATOM 1452 N ILE B 12 7.126 -9.600 -16.162 1.00 0.00 N ATOM 1453 CA ILE B 12 7.479 -10.410 -17.371 1.00 0.00 C ATOM 1454 C ILE B 12 7.518 -9.524 -18.625 1.00 0.00 C ATOM 1455 O ILE B 12 8.400 -9.643 -19.452 1.00 0.00 O ATOM 1456 CB ILE B 12 6.425 -11.506 -17.564 1.00 0.00 C ATOM 1457 CG1 ILE B 12 6.495 -12.486 -16.392 1.00 0.00 C ATOM 1458 CG2 ILE B 12 6.704 -12.265 -18.868 1.00 0.00 C ATOM 1459 CD1 ILE B 12 5.242 -13.366 -16.385 1.00 0.00 C ATOM 0 H ILE B 12 6.206 -9.802 -15.770 1.00 0.00 H new ATOM 0 HA ILE B 12 8.464 -10.852 -17.223 1.00 0.00 H new ATOM 0 HB ILE B 12 5.435 -11.051 -17.610 1.00 0.00 H new ATOM 0 HG12 ILE B 12 7.387 -13.106 -16.476 1.00 0.00 H new ATOM 0 HG13 ILE B 12 6.574 -11.940 -15.452 1.00 0.00 H new ATOM 0 HG21 ILE B 12 5.954 -13.044 -19.003 1.00 0.00 H new ATOM 0 HG22 ILE B 12 6.663 -11.572 -19.708 1.00 0.00 H new ATOM 0 HG23 ILE B 12 7.694 -12.719 -18.820 1.00 0.00 H new ATOM 0 HD11 ILE B 12 5.292 -14.064 -15.550 1.00 0.00 H new ATOM 0 HD12 ILE B 12 4.357 -12.738 -16.280 1.00 0.00 H new ATOM 0 HD13 ILE B 12 5.183 -13.923 -17.320 1.00 0.00 H new ATOM 1471 N ARG B 13 6.553 -8.652 -18.785 1.00 0.00 N ATOM 1472 CA ARG B 13 6.527 -7.782 -20.003 1.00 0.00 C ATOM 1473 C ARG B 13 7.775 -6.908 -20.033 1.00 0.00 C ATOM 1474 O ARG B 13 8.378 -6.703 -21.068 1.00 0.00 O ATOM 1475 CB ARG B 13 5.284 -6.885 -19.986 1.00 0.00 C ATOM 1476 CG ARG B 13 4.037 -7.738 -20.223 1.00 0.00 C ATOM 1477 CD ARG B 13 2.804 -6.834 -20.296 1.00 0.00 C ATOM 1478 NE ARG B 13 1.575 -7.678 -20.399 1.00 0.00 N ATOM 1479 CZ ARG B 13 0.516 -7.253 -21.042 1.00 0.00 C ATOM 1480 NH1 ARG B 13 0.526 -6.103 -21.662 1.00 0.00 N ATOM 1481 NH2 ARG B 13 -0.560 -7.990 -21.068 1.00 0.00 N ATOM 0 H ARG B 13 5.786 -8.505 -18.129 1.00 0.00 H new ATOM 0 HA ARG B 13 6.499 -8.417 -20.888 1.00 0.00 H new ATOM 0 HB2 ARG B 13 5.208 -6.369 -19.029 1.00 0.00 H new ATOM 0 HB3 ARG B 13 5.365 -6.118 -20.756 1.00 0.00 H new ATOM 0 HG2 ARG B 13 4.141 -8.304 -21.149 1.00 0.00 H new ATOM 0 HG3 ARG B 13 3.922 -8.463 -19.418 1.00 0.00 H new ATOM 0 HD2 ARG B 13 2.751 -6.201 -19.410 1.00 0.00 H new ATOM 0 HD3 ARG B 13 2.876 -6.171 -21.158 1.00 0.00 H new ATOM 0 HE ARG B 13 1.561 -8.599 -19.962 1.00 0.00 H new ATOM 0 HH11 ARG B 13 1.366 -5.524 -21.649 1.00 0.00 H new ATOM 0 HH12 ARG B 13 -0.306 -5.784 -22.159 1.00 0.00 H new ATOM 0 HH21 ARG B 13 -0.573 -8.891 -20.590 1.00 0.00 H new ATOM 0 HH22 ARG B 13 -1.388 -7.666 -21.567 1.00 0.00 H new ATOM 1495 N LEU B 14 8.174 -6.396 -18.907 1.00 0.00 N ATOM 1496 CA LEU B 14 9.391 -5.543 -18.871 1.00 0.00 C ATOM 1497 C LEU B 14 10.610 -6.451 -18.719 1.00 0.00 C ATOM 1498 O LEU B 14 11.739 -6.003 -18.763 1.00 0.00 O ATOM 1499 CB LEU B 14 9.304 -4.589 -17.680 1.00 0.00 C ATOM 1500 CG LEU B 14 8.039 -3.725 -17.796 1.00 0.00 C ATOM 1501 CD1 LEU B 14 7.880 -2.880 -16.528 1.00 0.00 C ATOM 1502 CD2 LEU B 14 8.142 -2.800 -19.023 1.00 0.00 C ATOM 0 H LEU B 14 7.710 -6.531 -18.009 1.00 0.00 H new ATOM 0 HA LEU B 14 9.474 -4.959 -19.788 1.00 0.00 H new ATOM 0 HB2 LEU B 14 9.284 -5.156 -16.749 1.00 0.00 H new ATOM 0 HB3 LEU B 14 10.188 -3.953 -17.647 1.00 0.00 H new ATOM 0 HG LEU B 14 7.172 -4.375 -17.913 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.983 -2.267 -16.610 1.00 0.00 H new ATOM 0 HD12 LEU B 14 7.794 -3.536 -15.662 1.00 0.00 H new ATOM 0 HD13 LEU B 14 8.751 -2.235 -16.409 1.00 0.00 H new ATOM 0 HD21 LEU B 14 7.241 -2.192 -19.097 1.00 0.00 H new ATOM 0 HD22 LEU B 14 9.011 -2.150 -18.917 1.00 0.00 H new ATOM 0 HD23 LEU B 14 8.248 -3.403 -19.925 1.00 0.00 H new ATOM 1514 N SER B 15 10.377 -7.733 -18.551 1.00 0.00 N ATOM 1515 CA SER B 15 11.501 -8.711 -18.402 1.00 0.00 C ATOM 1516 C SER B 15 12.625 -8.098 -17.564 1.00 0.00 C ATOM 1517 O SER B 15 13.785 -8.153 -17.926 1.00 0.00 O ATOM 1518 CB SER B 15 12.044 -9.080 -19.784 1.00 0.00 C ATOM 1519 OG SER B 15 10.972 -9.504 -20.619 1.00 0.00 O ATOM 0 H SER B 15 9.445 -8.146 -18.511 1.00 0.00 H new ATOM 0 HA SER B 15 11.128 -9.605 -17.901 1.00 0.00 H new ATOM 0 HB2 SER B 15 12.548 -8.222 -20.229 1.00 0.00 H new ATOM 0 HB3 SER B 15 12.785 -9.874 -19.695 1.00 0.00 H new ATOM 0 HG SER B 15 10.159 -9.605 -20.082 1.00 0.00 H new ATOM 1525 N LEU B 16 12.289 -7.500 -16.454 1.00 0.00 N ATOM 1526 CA LEU B 16 13.341 -6.869 -15.600 1.00 0.00 C ATOM 1527 C LEU B 16 13.952 -7.924 -14.674 1.00 0.00 C ATOM 1528 O LEU B 16 13.398 -8.988 -14.481 1.00 0.00 O ATOM 1529 CB LEU B 16 12.715 -5.736 -14.775 1.00 0.00 C ATOM 1530 CG LEU B 16 11.705 -6.311 -13.747 1.00 0.00 C ATOM 1531 CD1 LEU B 16 12.343 -6.368 -12.353 1.00 0.00 C ATOM 1532 CD2 LEU B 16 10.455 -5.421 -13.682 1.00 0.00 C ATOM 0 H LEU B 16 11.336 -7.420 -16.100 1.00 0.00 H new ATOM 0 HA LEU B 16 14.128 -6.457 -16.231 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.496 -5.181 -14.256 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.210 -5.032 -15.436 1.00 0.00 H new ATOM 0 HG LEU B 16 11.427 -7.316 -14.065 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.625 -6.773 -11.640 1.00 0.00 H new ATOM 0 HD12 LEU B 16 13.225 -7.008 -12.382 1.00 0.00 H new ATOM 0 HD13 LEU B 16 12.633 -5.364 -12.044 1.00 0.00 H new ATOM 0 HD21 LEU B 16 9.752 -5.833 -12.958 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.741 -4.414 -13.378 1.00 0.00 H new ATOM 0 HD23 LEU B 16 9.984 -5.383 -14.664 1.00 0.00 H new ATOM 1544 N THR B 17 15.102 -7.643 -14.111 1.00 0.00 N ATOM 1545 CA THR B 17 15.763 -8.637 -13.211 1.00 0.00 C ATOM 1546 C THR B 17 15.322 -8.417 -11.763 1.00 0.00 C ATOM 1547 O THR B 17 15.469 -7.346 -11.206 1.00 0.00 O ATOM 1548 CB THR B 17 17.280 -8.475 -13.306 1.00 0.00 C ATOM 1549 OG1 THR B 17 17.619 -7.108 -13.125 1.00 0.00 O ATOM 1550 CG2 THR B 17 17.757 -8.949 -14.679 1.00 0.00 C ATOM 0 H THR B 17 15.611 -6.768 -14.236 1.00 0.00 H new ATOM 0 HA THR B 17 15.475 -9.642 -13.521 1.00 0.00 H new ATOM 0 HB THR B 17 17.762 -9.072 -12.532 1.00 0.00 H new ATOM 0 HG1 THR B 17 18.218 -6.821 -13.846 1.00 0.00 H new ATOM 0 HG21 THR B 17 18.839 -8.834 -14.748 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.494 -9.998 -14.813 1.00 0.00 H new ATOM 0 HG23 THR B 17 17.278 -8.353 -15.456 1.00 0.00 H new ATOM 1558 N ALA B 18 14.791 -9.440 -11.150 1.00 0.00 N ATOM 1559 CA ALA B 18 14.342 -9.322 -9.733 1.00 0.00 C ATOM 1560 C ALA B 18 15.551 -9.082 -8.828 1.00 0.00 C ATOM 1561 O ALA B 18 15.470 -8.382 -7.836 1.00 0.00 O ATOM 1562 CB ALA B 18 13.633 -10.612 -9.307 1.00 0.00 C ATOM 0 H ALA B 18 14.648 -10.357 -11.572 1.00 0.00 H new ATOM 0 HA ALA B 18 13.651 -8.483 -9.645 1.00 0.00 H new ATOM 0 HB1 ALA B 18 13.306 -10.522 -8.271 1.00 0.00 H new ATOM 0 HB2 ALA B 18 12.767 -10.780 -9.947 1.00 0.00 H new ATOM 0 HB3 ALA B 18 14.321 -11.453 -9.399 1.00 0.00 H new ATOM 1568 N LYS B 19 16.671 -9.666 -9.156 1.00 0.00 N ATOM 1569 CA LYS B 19 17.883 -9.488 -8.317 1.00 0.00 C ATOM 1570 C LYS B 19 18.246 -8.005 -8.261 1.00 0.00 C ATOM 1571 O LYS B 19 18.544 -7.464 -7.214 1.00 0.00 O ATOM 1572 CB LYS B 19 19.034 -10.266 -8.957 1.00 0.00 C ATOM 1573 CG LYS B 19 18.733 -11.769 -8.896 1.00 0.00 C ATOM 1574 CD LYS B 19 19.810 -12.566 -9.659 1.00 0.00 C ATOM 1575 CE LYS B 19 21.017 -12.840 -8.748 1.00 0.00 C ATOM 1576 NZ LYS B 19 20.747 -14.047 -7.917 1.00 0.00 N ATOM 0 H LYS B 19 16.796 -10.262 -9.974 1.00 0.00 H new ATOM 0 HA LYS B 19 17.698 -9.853 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS B 19 19.167 -9.953 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS B 19 19.967 -10.050 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS B 19 18.697 -12.097 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS B 19 17.752 -11.967 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS B 19 19.392 -13.508 -10.013 1.00 0.00 H new ATOM 0 HD3 LYS B 19 20.129 -12.008 -10.539 1.00 0.00 H new ATOM 0 HE2 LYS B 19 21.913 -12.992 -9.349 1.00 0.00 H new ATOM 0 HE3 LYS B 19 21.206 -11.979 -8.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 21.363 -14.036 -7.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 19.752 -14.045 -7.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 20.938 -14.903 -8.476 1.00 0.00 H new ATOM 1590 N SER B 20 18.214 -7.342 -9.382 1.00 0.00 N ATOM 1591 CA SER B 20 18.546 -5.890 -9.401 1.00 0.00 C ATOM 1592 C SER B 20 17.541 -5.121 -8.541 1.00 0.00 C ATOM 1593 O SER B 20 17.893 -4.214 -7.813 1.00 0.00 O ATOM 1594 CB SER B 20 18.488 -5.372 -10.840 1.00 0.00 C ATOM 1595 OG SER B 20 19.396 -6.116 -11.642 1.00 0.00 O ATOM 0 H SER B 20 17.972 -7.743 -10.288 1.00 0.00 H new ATOM 0 HA SER B 20 19.550 -5.744 -9.001 1.00 0.00 H new ATOM 0 HB2 SER B 20 17.476 -5.467 -11.233 1.00 0.00 H new ATOM 0 HB3 SER B 20 18.743 -4.313 -10.868 1.00 0.00 H new ATOM 0 HG SER B 20 18.906 -6.807 -12.135 1.00 0.00 H new ATOM 1601 N VAL B 21 16.288 -5.472 -8.628 1.00 0.00 N ATOM 1602 CA VAL B 21 15.253 -4.758 -7.827 1.00 0.00 C ATOM 1603 C VAL B 21 15.547 -4.914 -6.333 1.00 0.00 C ATOM 1604 O VAL B 21 15.546 -3.958 -5.585 1.00 0.00 O ATOM 1605 CB VAL B 21 13.881 -5.365 -8.139 1.00 0.00 C ATOM 1606 CG1 VAL B 21 12.827 -4.784 -7.194 1.00 0.00 C ATOM 1607 CG2 VAL B 21 13.502 -5.041 -9.582 1.00 0.00 C ATOM 0 H VAL B 21 15.935 -6.224 -9.220 1.00 0.00 H new ATOM 0 HA VAL B 21 15.263 -3.698 -8.082 1.00 0.00 H new ATOM 0 HB VAL B 21 13.927 -6.446 -8.003 1.00 0.00 H new ATOM 0 HG11 VAL B 21 11.854 -5.220 -7.422 1.00 0.00 H new ATOM 0 HG12 VAL B 21 13.096 -5.015 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL B 21 12.779 -3.703 -7.323 1.00 0.00 H new ATOM 0 HG21 VAL B 21 12.526 -5.471 -9.807 1.00 0.00 H new ATOM 0 HG22 VAL B 21 13.461 -3.960 -9.713 1.00 0.00 H new ATOM 0 HG23 VAL B 21 14.248 -5.460 -10.257 1.00 0.00 H new ATOM 1617 N ALA B 22 15.799 -6.112 -5.897 1.00 0.00 N ATOM 1618 CA ALA B 22 16.092 -6.334 -4.454 1.00 0.00 C ATOM 1619 C ALA B 22 17.406 -5.645 -4.077 1.00 0.00 C ATOM 1620 O ALA B 22 17.593 -5.213 -2.956 1.00 0.00 O ATOM 1621 CB ALA B 22 16.197 -7.838 -4.178 1.00 0.00 C ATOM 0 H ALA B 22 15.815 -6.951 -6.477 1.00 0.00 H new ATOM 0 HA ALA B 22 15.285 -5.912 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA B 22 16.411 -8.000 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA B 22 15.255 -8.322 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA B 22 17.000 -8.263 -4.781 1.00 0.00 H new ATOM 1627 N GLU B 23 18.323 -5.555 -4.998 1.00 0.00 N ATOM 1628 CA GLU B 23 19.632 -4.915 -4.688 1.00 0.00 C ATOM 1629 C GLU B 23 19.459 -3.404 -4.486 1.00 0.00 C ATOM 1630 O GLU B 23 19.855 -2.852 -3.479 1.00 0.00 O ATOM 1631 CB GLU B 23 20.591 -5.153 -5.857 1.00 0.00 C ATOM 1632 CG GLU B 23 22.008 -4.757 -5.448 1.00 0.00 C ATOM 1633 CD GLU B 23 22.942 -4.909 -6.650 1.00 0.00 C ATOM 1634 OE1 GLU B 23 23.068 -3.958 -7.404 1.00 0.00 O ATOM 1635 OE2 GLU B 23 23.504 -5.981 -6.806 1.00 0.00 O ATOM 0 H GLU B 23 18.223 -5.897 -5.954 1.00 0.00 H new ATOM 0 HA GLU B 23 20.030 -5.351 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU B 23 20.567 -6.202 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.276 -4.571 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU B 23 22.021 -3.727 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU B 23 22.350 -5.385 -4.625 1.00 0.00 H new ATOM 1642 N GLU B 24 18.892 -2.731 -5.448 1.00 0.00 N ATOM 1643 CA GLU B 24 18.718 -1.252 -5.331 1.00 0.00 C ATOM 1644 C GLU B 24 17.683 -0.927 -4.251 1.00 0.00 C ATOM 1645 O GLU B 24 17.823 0.027 -3.512 1.00 0.00 O ATOM 1646 CB GLU B 24 18.258 -0.685 -6.677 1.00 0.00 C ATOM 1647 CG GLU B 24 19.197 -1.187 -7.780 1.00 0.00 C ATOM 1648 CD GLU B 24 20.605 -0.633 -7.553 1.00 0.00 C ATOM 1649 OE1 GLU B 24 20.817 0.532 -7.849 1.00 0.00 O ATOM 1650 OE2 GLU B 24 21.434 -1.370 -7.047 1.00 0.00 O ATOM 0 H GLU B 24 18.540 -3.141 -6.313 1.00 0.00 H new ATOM 0 HA GLU B 24 19.670 -0.801 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU B 24 17.234 -0.995 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU B 24 18.262 0.405 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU B 24 19.221 -2.277 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU B 24 18.826 -0.875 -8.756 1.00 0.00 H new ATOM 1657 N MET B 25 16.643 -1.707 -4.150 1.00 0.00 N ATOM 1658 CA MET B 25 15.608 -1.429 -3.112 1.00 0.00 C ATOM 1659 C MET B 25 16.230 -1.569 -1.721 1.00 0.00 C ATOM 1660 O MET B 25 15.933 -0.810 -0.820 1.00 0.00 O ATOM 1661 CB MET B 25 14.445 -2.418 -3.250 1.00 0.00 C ATOM 1662 CG MET B 25 13.568 -2.026 -4.440 1.00 0.00 C ATOM 1663 SD MET B 25 12.210 -3.214 -4.601 1.00 0.00 S ATOM 1664 CE MET B 25 11.046 -2.412 -3.470 1.00 0.00 C ATOM 0 H MET B 25 16.464 -2.521 -4.738 1.00 0.00 H new ATOM 0 HA MET B 25 15.233 -0.415 -3.248 1.00 0.00 H new ATOM 0 HB2 MET B 25 14.830 -3.429 -3.388 1.00 0.00 H new ATOM 0 HB3 MET B 25 13.851 -2.425 -2.336 1.00 0.00 H new ATOM 0 HG2 MET B 25 13.172 -1.020 -4.299 1.00 0.00 H new ATOM 0 HG3 MET B 25 14.162 -2.009 -5.354 1.00 0.00 H new ATOM 0 HE1 MET B 25 10.211 -3.084 -3.270 1.00 0.00 H new ATOM 0 HE2 MET B 25 11.553 -2.175 -2.534 1.00 0.00 H new ATOM 0 HE3 MET B 25 10.672 -1.494 -3.923 1.00 0.00 H new ATOM 1674 N GLY B 26 17.090 -2.536 -1.535 1.00 0.00 N ATOM 1675 CA GLY B 26 17.727 -2.725 -0.195 1.00 0.00 C ATOM 1676 C GLY B 26 16.942 -3.765 0.609 1.00 0.00 C ATOM 1677 O GLY B 26 16.961 -3.762 1.826 1.00 0.00 O ATOM 0 H GLY B 26 17.379 -3.203 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY B 26 18.761 -3.049 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY B 26 17.751 -1.778 0.344 1.00 0.00 H new ATOM 1681 N ILE B 27 16.258 -4.658 -0.064 1.00 0.00 N ATOM 1682 CA ILE B 27 15.467 -5.718 0.643 1.00 0.00 C ATOM 1683 C ILE B 27 15.920 -7.099 0.165 1.00 0.00 C ATOM 1684 O ILE B 27 16.538 -7.239 -0.873 1.00 0.00 O ATOM 1685 CB ILE B 27 13.971 -5.532 0.358 1.00 0.00 C ATOM 1686 CG1 ILE B 27 13.708 -5.580 -1.151 1.00 0.00 C ATOM 1687 CG2 ILE B 27 13.505 -4.184 0.910 1.00 0.00 C ATOM 1688 CD1 ILE B 27 12.199 -5.556 -1.400 1.00 0.00 C ATOM 0 H ILE B 27 16.213 -4.699 -1.082 1.00 0.00 H new ATOM 0 HA ILE B 27 15.635 -5.635 1.717 1.00 0.00 H new ATOM 0 HB ILE B 27 13.420 -6.338 0.842 1.00 0.00 H new ATOM 0 HG12 ILE B 27 14.183 -4.731 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE B 27 14.145 -6.482 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE B 27 12.442 -4.055 0.706 1.00 0.00 H new ATOM 0 HG22 ILE B 27 13.674 -4.154 1.986 1.00 0.00 H new ATOM 0 HG23 ILE B 27 14.066 -3.381 0.432 1.00 0.00 H new ATOM 0 HD11 ILE B 27 12.007 -5.590 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE B 27 11.737 -6.419 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE B 27 11.776 -4.641 -0.984 1.00 0.00 H new ATOM 1700 N SER B 28 15.625 -8.117 0.926 1.00 0.00 N ATOM 1701 CA SER B 28 16.043 -9.493 0.539 1.00 0.00 C ATOM 1702 C SER B 28 15.160 -10.019 -0.591 1.00 0.00 C ATOM 1703 O SER B 28 14.062 -9.548 -0.819 1.00 0.00 O ATOM 1704 CB SER B 28 15.915 -10.415 1.751 1.00 0.00 C ATOM 1705 OG SER B 28 14.562 -10.827 1.884 1.00 0.00 O ATOM 0 H SER B 28 15.110 -8.054 1.804 1.00 0.00 H new ATOM 0 HA SER B 28 17.077 -9.467 0.195 1.00 0.00 H new ATOM 0 HB2 SER B 28 16.562 -11.284 1.632 1.00 0.00 H new ATOM 0 HB3 SER B 28 16.240 -9.897 2.653 1.00 0.00 H new ATOM 0 HG SER B 28 14.475 -11.420 2.659 1.00 0.00 H new ATOM 1711 N ARG B 29 15.642 -11.007 -1.291 1.00 0.00 N ATOM 1712 CA ARG B 29 14.857 -11.601 -2.408 1.00 0.00 C ATOM 1713 C ARG B 29 13.590 -12.252 -1.845 1.00 0.00 C ATOM 1714 O ARG B 29 12.551 -12.257 -2.476 1.00 0.00 O ATOM 1715 CB ARG B 29 15.725 -12.649 -3.138 1.00 0.00 C ATOM 1716 CG ARG B 29 16.450 -11.996 -4.323 1.00 0.00 C ATOM 1717 CD ARG B 29 17.601 -12.892 -4.806 1.00 0.00 C ATOM 1718 NE ARG B 29 18.838 -12.568 -4.025 1.00 0.00 N ATOM 1719 CZ ARG B 29 20.018 -12.536 -4.602 1.00 0.00 C ATOM 1720 NH1 ARG B 29 20.154 -12.818 -5.870 1.00 0.00 N ATOM 1721 NH2 ARG B 29 21.071 -12.223 -3.899 1.00 0.00 N ATOM 0 H ARG B 29 16.556 -11.433 -1.135 1.00 0.00 H new ATOM 0 HA ARG B 29 14.569 -10.826 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG B 29 16.452 -13.076 -2.447 1.00 0.00 H new ATOM 0 HB3 ARG B 29 15.100 -13.469 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG B 29 15.747 -11.825 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG B 29 16.839 -11.021 -4.028 1.00 0.00 H new ATOM 0 HD2 ARG B 29 17.339 -13.942 -4.677 1.00 0.00 H new ATOM 0 HD3 ARG B 29 17.777 -12.736 -5.870 1.00 0.00 H new ATOM 0 HE ARG B 29 18.763 -12.369 -3.027 1.00 0.00 H new ATOM 0 HH11 ARG B 29 19.337 -13.068 -6.427 1.00 0.00 H new ATOM 0 HH12 ARG B 29 21.077 -12.789 -6.303 1.00 0.00 H new ATOM 0 HH21 ARG B 29 20.976 -12.005 -2.907 1.00 0.00 H new ATOM 0 HH22 ARG B 29 21.990 -12.196 -4.341 1.00 0.00 H new ATOM 1735 N GLN B 30 13.670 -12.805 -0.668 1.00 0.00 N ATOM 1736 CA GLN B 30 12.470 -13.459 -0.074 1.00 0.00 C ATOM 1737 C GLN B 30 11.302 -12.475 -0.094 1.00 0.00 C ATOM 1738 O GLN B 30 10.200 -12.810 -0.483 1.00 0.00 O ATOM 1739 CB GLN B 30 12.772 -13.850 1.377 1.00 0.00 C ATOM 1740 CG GLN B 30 13.962 -14.811 1.410 1.00 0.00 C ATOM 1741 CD GLN B 30 13.598 -16.107 0.684 1.00 0.00 C ATOM 1742 OE1 GLN B 30 12.586 -16.717 0.975 1.00 0.00 O ATOM 1743 NE2 GLN B 30 14.381 -16.555 -0.258 1.00 0.00 N ATOM 0 H GLN B 30 14.511 -12.833 -0.092 1.00 0.00 H new ATOM 0 HA GLN B 30 12.215 -14.349 -0.649 1.00 0.00 H new ATOM 0 HB2 GLN B 30 12.993 -12.960 1.966 1.00 0.00 H new ATOM 0 HB3 GLN B 30 11.898 -14.321 1.827 1.00 0.00 H new ATOM 0 HG2 GLN B 30 14.828 -14.349 0.937 1.00 0.00 H new ATOM 0 HG3 GLN B 30 14.239 -15.026 2.442 1.00 0.00 H new ATOM 0 HE21 GLN B 30 15.229 -16.044 -0.502 1.00 0.00 H new ATOM 0 HE22 GLN B 30 14.145 -17.416 -0.751 1.00 0.00 H new ATOM 1752 N GLN B 31 11.533 -11.260 0.316 1.00 0.00 N ATOM 1753 CA GLN B 31 10.433 -10.255 0.313 1.00 0.00 C ATOM 1754 C GLN B 31 10.062 -9.888 -1.126 1.00 0.00 C ATOM 1755 O GLN B 31 8.902 -9.738 -1.459 1.00 0.00 O ATOM 1756 CB GLN B 31 10.882 -8.996 1.057 1.00 0.00 C ATOM 1757 CG GLN B 31 11.027 -9.307 2.545 1.00 0.00 C ATOM 1758 CD GLN B 31 11.413 -8.033 3.293 1.00 0.00 C ATOM 1759 OE1 GLN B 31 10.809 -6.997 3.100 1.00 0.00 O ATOM 1760 NE2 GLN B 31 12.399 -8.062 4.143 1.00 0.00 N ATOM 0 H GLN B 31 12.434 -10.919 0.653 1.00 0.00 H new ATOM 0 HA GLN B 31 9.563 -10.683 0.811 1.00 0.00 H new ATOM 0 HB2 GLN B 31 11.831 -8.642 0.655 1.00 0.00 H new ATOM 0 HB3 GLN B 31 10.156 -8.196 0.911 1.00 0.00 H new ATOM 0 HG2 GLN B 31 10.091 -9.703 2.938 1.00 0.00 H new ATOM 0 HG3 GLN B 31 11.786 -10.075 2.695 1.00 0.00 H new ATOM 0 HE21 GLN B 31 12.907 -8.932 4.306 1.00 0.00 H new ATOM 0 HE22 GLN B 31 12.664 -7.215 4.646 1.00 0.00 H new ATOM 1769 N LEU B 32 11.036 -9.735 -1.981 1.00 0.00 N ATOM 1770 CA LEU B 32 10.735 -9.371 -3.395 1.00 0.00 C ATOM 1771 C LEU B 32 9.912 -10.484 -4.043 1.00 0.00 C ATOM 1772 O LEU B 32 8.930 -10.238 -4.715 1.00 0.00 O ATOM 1773 CB LEU B 32 12.052 -9.200 -4.160 1.00 0.00 C ATOM 1774 CG LEU B 32 11.782 -8.832 -5.624 1.00 0.00 C ATOM 1775 CD1 LEU B 32 10.964 -7.533 -5.705 1.00 0.00 C ATOM 1776 CD2 LEU B 32 13.125 -8.642 -6.335 1.00 0.00 C ATOM 0 H LEU B 32 12.026 -9.846 -1.762 1.00 0.00 H new ATOM 0 HA LEU B 32 10.169 -8.440 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.654 -8.423 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU B 32 12.629 -10.123 -4.112 1.00 0.00 H new ATOM 0 HG LEU B 32 11.213 -9.629 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU B 32 10.780 -7.284 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU B 32 10.012 -7.670 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU B 32 11.519 -6.723 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU B 32 12.950 -8.380 -7.378 1.00 0.00 H new ATOM 0 HD22 LEU B 32 13.684 -7.843 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU B 32 13.698 -9.568 -6.285 1.00 0.00 H new ATOM 1788 N CYS B 33 10.306 -11.709 -3.841 1.00 0.00 N ATOM 1789 CA CYS B 33 9.549 -12.845 -4.436 1.00 0.00 C ATOM 1790 C CYS B 33 8.172 -12.934 -3.780 1.00 0.00 C ATOM 1791 O CYS B 33 7.194 -13.283 -4.409 1.00 0.00 O ATOM 1792 CB CYS B 33 10.314 -14.150 -4.211 1.00 0.00 C ATOM 1793 SG CYS B 33 11.863 -14.101 -5.145 1.00 0.00 S ATOM 0 H CYS B 33 11.121 -11.974 -3.288 1.00 0.00 H new ATOM 0 HA CYS B 33 9.431 -12.682 -5.507 1.00 0.00 H new ATOM 0 HB2 CYS B 33 10.520 -14.286 -3.149 1.00 0.00 H new ATOM 0 HB3 CYS B 33 9.710 -14.999 -4.530 1.00 0.00 H new ATOM 0 HG CYS B 33 12.748 -13.416 -4.483 1.00 0.00 H new ATOM 1799 N ASN B 34 8.092 -12.620 -2.518 1.00 0.00 N ATOM 1800 CA ASN B 34 6.784 -12.687 -1.811 1.00 0.00 C ATOM 1801 C ASN B 34 5.805 -11.721 -2.486 1.00 0.00 C ATOM 1802 O ASN B 34 4.641 -12.018 -2.665 1.00 0.00 O ATOM 1803 CB ASN B 34 6.985 -12.286 -0.346 1.00 0.00 C ATOM 1804 CG ASN B 34 5.788 -12.747 0.486 1.00 0.00 C ATOM 1805 OD1 ASN B 34 4.788 -12.062 0.571 1.00 0.00 O ATOM 1806 ND2 ASN B 34 5.852 -13.892 1.107 1.00 0.00 N ATOM 0 H ASN B 34 8.879 -12.319 -1.944 1.00 0.00 H new ATOM 0 HA ASN B 34 6.383 -13.700 -1.855 1.00 0.00 H new ATOM 0 HB2 ASN B 34 7.901 -12.732 0.040 1.00 0.00 H new ATOM 0 HB3 ASN B 34 7.099 -11.205 -0.268 1.00 0.00 H new ATOM 0 HD21 ASN B 34 5.062 -14.214 1.665 1.00 0.00 H new ATOM 0 HD22 ASN B 34 6.692 -14.465 1.034 1.00 0.00 H new ATOM 1813 N ILE B 35 6.279 -10.569 -2.868 1.00 0.00 N ATOM 1814 CA ILE B 35 5.396 -9.578 -3.542 1.00 0.00 C ATOM 1815 C ILE B 35 4.896 -10.161 -4.867 1.00 0.00 C ATOM 1816 O ILE B 35 3.740 -10.027 -5.220 1.00 0.00 O ATOM 1817 CB ILE B 35 6.191 -8.299 -3.818 1.00 0.00 C ATOM 1818 CG1 ILE B 35 6.538 -7.623 -2.490 1.00 0.00 C ATOM 1819 CG2 ILE B 35 5.353 -7.341 -4.670 1.00 0.00 C ATOM 1820 CD1 ILE B 35 7.563 -6.513 -2.734 1.00 0.00 C ATOM 0 H ILE B 35 7.246 -10.270 -2.742 1.00 0.00 H new ATOM 0 HA ILE B 35 4.545 -9.350 -2.900 1.00 0.00 H new ATOM 0 HB ILE B 35 7.106 -8.552 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE B 35 5.639 -7.208 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE B 35 6.940 -8.356 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE B 35 5.923 -6.432 -4.863 1.00 0.00 H new ATOM 0 HG22 ILE B 35 5.102 -7.820 -5.616 1.00 0.00 H new ATOM 0 HG23 ILE B 35 4.436 -7.087 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE B 35 7.810 -6.032 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE B 35 8.466 -6.941 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE B 35 7.144 -5.775 -3.418 1.00 0.00 H new ATOM 1832 N GLU B 36 5.761 -10.799 -5.611 1.00 0.00 N ATOM 1833 CA GLU B 36 5.335 -11.377 -6.919 1.00 0.00 C ATOM 1834 C GLU B 36 4.189 -12.366 -6.703 1.00 0.00 C ATOM 1835 O GLU B 36 3.218 -12.373 -7.434 1.00 0.00 O ATOM 1836 CB GLU B 36 6.510 -12.109 -7.574 1.00 0.00 C ATOM 1837 CG GLU B 36 7.613 -11.109 -7.913 1.00 0.00 C ATOM 1838 CD GLU B 36 8.694 -11.813 -8.734 1.00 0.00 C ATOM 1839 OE1 GLU B 36 8.421 -12.894 -9.230 1.00 0.00 O ATOM 1840 OE2 GLU B 36 9.769 -11.254 -8.866 1.00 0.00 O ATOM 0 H GLU B 36 6.741 -10.944 -5.370 1.00 0.00 H new ATOM 0 HA GLU B 36 5.002 -10.567 -7.567 1.00 0.00 H new ATOM 0 HB2 GLU B 36 6.895 -12.875 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU B 36 6.176 -12.617 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU B 36 7.201 -10.271 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU B 36 8.043 -10.699 -6.999 1.00 0.00 H new ATOM 1847 N GLN B 37 4.290 -13.202 -5.704 1.00 0.00 N ATOM 1848 CA GLN B 37 3.203 -14.191 -5.434 1.00 0.00 C ATOM 1849 C GLN B 37 2.270 -13.630 -4.359 1.00 0.00 C ATOM 1850 O GLN B 37 1.748 -14.355 -3.534 1.00 0.00 O ATOM 1851 CB GLN B 37 3.822 -15.504 -4.943 1.00 0.00 C ATOM 1852 CG GLN B 37 4.580 -15.262 -3.635 1.00 0.00 C ATOM 1853 CD GLN B 37 5.353 -16.523 -3.251 1.00 0.00 C ATOM 1854 OE1 GLN B 37 5.523 -17.417 -4.058 1.00 0.00 O ATOM 1855 NE2 GLN B 37 5.834 -16.635 -2.043 1.00 0.00 N ATOM 0 H GLN B 37 5.081 -13.243 -5.061 1.00 0.00 H new ATOM 0 HA GLN B 37 2.638 -14.377 -6.347 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.042 -16.250 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN B 37 4.499 -15.902 -5.698 1.00 0.00 H new ATOM 0 HG2 GLN B 37 5.266 -14.423 -3.750 1.00 0.00 H new ATOM 0 HG3 GLN B 37 3.881 -14.996 -2.842 1.00 0.00 H new ATOM 0 HE21 GLN B 37 5.692 -15.886 -1.366 1.00 0.00 H new ATOM 0 HE22 GLN B 37 6.352 -17.472 -1.776 1.00 0.00 H new ATOM 1864 N SER B 38 2.063 -12.341 -4.360 1.00 0.00 N ATOM 1865 CA SER B 38 1.174 -11.728 -3.335 1.00 0.00 C ATOM 1866 C SER B 38 -0.280 -12.119 -3.602 1.00 0.00 C ATOM 1867 O SER B 38 -0.758 -12.056 -4.718 1.00 0.00 O ATOM 1868 CB SER B 38 1.314 -10.204 -3.389 1.00 0.00 C ATOM 1869 OG SER B 38 1.245 -9.769 -4.741 1.00 0.00 O ATOM 0 H SER B 38 2.472 -11.687 -5.027 1.00 0.00 H new ATOM 0 HA SER B 38 1.462 -12.088 -2.348 1.00 0.00 H new ATOM 0 HB2 SER B 38 0.523 -9.735 -2.804 1.00 0.00 H new ATOM 0 HB3 SER B 38 2.262 -9.899 -2.946 1.00 0.00 H new ATOM 0 HG SER B 38 2.140 -9.515 -5.049 1.00 0.00 H new ATOM 1875 N GLU B 39 -0.987 -12.518 -2.576 1.00 0.00 N ATOM 1876 CA GLU B 39 -2.418 -12.914 -2.746 1.00 0.00 C ATOM 1877 C GLU B 39 -3.316 -11.696 -2.501 1.00 0.00 C ATOM 1878 O GLU B 39 -3.913 -11.157 -3.415 1.00 0.00 O ATOM 1879 CB GLU B 39 -2.762 -14.020 -1.732 1.00 0.00 C ATOM 1880 CG GLU B 39 -2.327 -15.385 -2.277 1.00 0.00 C ATOM 1881 CD GLU B 39 -0.860 -15.331 -2.706 1.00 0.00 C ATOM 1882 OE1 GLU B 39 -0.585 -14.713 -3.721 1.00 0.00 O ATOM 1883 OE2 GLU B 39 -0.037 -15.911 -2.017 1.00 0.00 O ATOM 0 H GLU B 39 -0.633 -12.587 -1.622 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.579 -13.284 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.263 -13.823 -0.783 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -3.834 -14.023 -1.534 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -2.464 -16.151 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.953 -15.664 -3.125 1.00 0.00 H new ATOM 1890 N THR B 40 -3.416 -11.264 -1.269 1.00 0.00 N ATOM 1891 CA THR B 40 -4.273 -10.083 -0.933 1.00 0.00 C ATOM 1892 C THR B 40 -3.380 -8.870 -0.670 1.00 0.00 C ATOM 1893 O THR B 40 -2.413 -8.945 0.063 1.00 0.00 O ATOM 1894 CB THR B 40 -5.100 -10.391 0.323 1.00 0.00 C ATOM 1895 OG1 THR B 40 -5.852 -9.241 0.690 1.00 0.00 O ATOM 1896 CG2 THR B 40 -4.170 -10.781 1.476 1.00 0.00 C ATOM 0 H THR B 40 -2.936 -11.683 -0.473 1.00 0.00 H new ATOM 0 HA THR B 40 -4.944 -9.870 -1.765 1.00 0.00 H new ATOM 0 HB THR B 40 -5.777 -11.219 0.112 1.00 0.00 H new ATOM 0 HG1 THR B 40 -6.381 -9.438 1.491 1.00 0.00 H new ATOM 0 HG21 THR B 40 -4.763 -10.998 2.364 1.00 0.00 H new ATOM 0 HG22 THR B 40 -3.596 -11.665 1.198 1.00 0.00 H new ATOM 0 HG23 THR B 40 -3.488 -9.958 1.688 1.00 0.00 H new ATOM 1904 N ALA B 41 -3.692 -7.753 -1.277 1.00 0.00 N ATOM 1905 CA ALA B 41 -2.861 -6.530 -1.082 1.00 0.00 C ATOM 1906 C ALA B 41 -3.366 -5.753 0.146 1.00 0.00 C ATOM 1907 O ALA B 41 -4.535 -5.798 0.472 1.00 0.00 O ATOM 1908 CB ALA B 41 -2.976 -5.644 -2.327 1.00 0.00 C ATOM 0 H ALA B 41 -4.490 -7.637 -1.901 1.00 0.00 H new ATOM 0 HA ALA B 41 -1.821 -6.815 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.371 -4.747 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -2.621 -6.194 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.018 -5.360 -2.476 1.00 0.00 H new ATOM 1914 N PRO B 42 -2.492 -5.044 0.827 1.00 0.00 N ATOM 1915 CA PRO B 42 -2.867 -4.244 2.040 1.00 0.00 C ATOM 1916 C PRO B 42 -3.778 -3.047 1.711 1.00 0.00 C ATOM 1917 O PRO B 42 -3.789 -2.540 0.607 1.00 0.00 O ATOM 1918 CB PRO B 42 -1.514 -3.772 2.605 1.00 0.00 C ATOM 1919 CG PRO B 42 -0.570 -3.802 1.442 1.00 0.00 C ATOM 1920 CD PRO B 42 -1.052 -4.927 0.526 1.00 0.00 C ATOM 0 HA PRO B 42 -3.446 -4.838 2.747 1.00 0.00 H new ATOM 0 HB2 PRO B 42 -1.591 -2.769 3.024 1.00 0.00 H new ATOM 0 HB3 PRO B 42 -1.172 -4.427 3.407 1.00 0.00 H new ATOM 0 HG2 PRO B 42 -0.569 -2.847 0.917 1.00 0.00 H new ATOM 0 HG3 PRO B 42 0.452 -3.983 1.775 1.00 0.00 H new ATOM 0 HD2 PRO B 42 -0.882 -4.687 -0.524 1.00 0.00 H new ATOM 0 HD3 PRO B 42 -0.525 -5.859 0.729 1.00 0.00 H new ATOM 1928 N VAL B 43 -4.541 -2.602 2.679 1.00 0.00 N ATOM 1929 CA VAL B 43 -5.463 -1.444 2.463 1.00 0.00 C ATOM 1930 C VAL B 43 -4.660 -0.172 2.164 1.00 0.00 C ATOM 1931 O VAL B 43 -5.118 0.712 1.467 1.00 0.00 O ATOM 1932 CB VAL B 43 -6.303 -1.218 3.725 1.00 0.00 C ATOM 1933 CG1 VAL B 43 -7.257 -2.395 3.927 1.00 0.00 C ATOM 1934 CG2 VAL B 43 -5.377 -1.097 4.941 1.00 0.00 C ATOM 0 H VAL B 43 -4.564 -2.996 3.619 1.00 0.00 H new ATOM 0 HA VAL B 43 -6.112 -1.666 1.616 1.00 0.00 H new ATOM 0 HB VAL B 43 -6.881 -0.300 3.613 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -7.852 -2.231 4.825 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -7.918 -2.480 3.064 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -6.682 -3.315 4.036 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -5.974 -0.936 5.839 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -4.798 -2.014 5.050 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -4.700 -0.255 4.800 1.00 0.00 H new ATOM 1944 N VAL B 44 -3.473 -0.068 2.694 1.00 0.00 N ATOM 1945 CA VAL B 44 -2.646 1.152 2.449 1.00 0.00 C ATOM 1946 C VAL B 44 -2.656 1.479 0.952 1.00 0.00 C ATOM 1947 O VAL B 44 -2.660 2.629 0.557 1.00 0.00 O ATOM 1948 CB VAL B 44 -1.208 0.869 2.909 1.00 0.00 C ATOM 1949 CG1 VAL B 44 -0.609 -0.290 2.078 1.00 0.00 C ATOM 1950 CG2 VAL B 44 -0.354 2.137 2.740 1.00 0.00 C ATOM 0 H VAL B 44 -3.038 -0.774 3.287 1.00 0.00 H new ATOM 0 HA VAL B 44 -3.051 2.000 3.002 1.00 0.00 H new ATOM 0 HB VAL B 44 -1.215 0.581 3.960 1.00 0.00 H new ATOM 0 HG11 VAL B 44 0.411 -0.486 2.409 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -1.214 -1.187 2.215 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -0.602 -0.015 1.023 1.00 0.00 H new ATOM 0 HG21 VAL B 44 0.666 1.935 3.067 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -0.347 2.434 1.691 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -0.775 2.942 3.342 1.00 0.00 H new ATOM 1960 N VAL B 45 -2.679 0.476 0.117 1.00 0.00 N ATOM 1961 CA VAL B 45 -2.712 0.726 -1.352 1.00 0.00 C ATOM 1962 C VAL B 45 -4.039 1.401 -1.708 1.00 0.00 C ATOM 1963 O VAL B 45 -4.084 2.392 -2.412 1.00 0.00 O ATOM 1964 CB VAL B 45 -2.595 -0.611 -2.090 1.00 0.00 C ATOM 1965 CG1 VAL B 45 -2.694 -0.381 -3.600 1.00 0.00 C ATOM 1966 CG2 VAL B 45 -1.244 -1.248 -1.760 1.00 0.00 C ATOM 0 H VAL B 45 -2.676 -0.507 0.389 1.00 0.00 H new ATOM 0 HA VAL B 45 -1.884 1.372 -1.644 1.00 0.00 H new ATOM 0 HB VAL B 45 -3.403 -1.272 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -2.610 -1.335 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -3.654 0.078 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -1.888 0.279 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -1.154 -2.201 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -0.441 -0.583 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -1.173 -1.415 -0.685 1.00 0.00 H new ATOM 1976 N LYS B 46 -5.120 0.874 -1.203 1.00 0.00 N ATOM 1977 CA LYS B 46 -6.455 1.474 -1.477 1.00 0.00 C ATOM 1978 C LYS B 46 -6.506 2.872 -0.869 1.00 0.00 C ATOM 1979 O LYS B 46 -7.097 3.784 -1.415 1.00 0.00 O ATOM 1980 CB LYS B 46 -7.546 0.609 -0.843 1.00 0.00 C ATOM 1981 CG LYS B 46 -7.618 -0.734 -1.568 1.00 0.00 C ATOM 1982 CD LYS B 46 -8.700 -1.600 -0.921 1.00 0.00 C ATOM 1983 CE LYS B 46 -8.840 -2.914 -1.691 1.00 0.00 C ATOM 1984 NZ LYS B 46 -7.718 -3.825 -1.328 1.00 0.00 N ATOM 0 H LYS B 46 -5.135 0.046 -0.607 1.00 0.00 H new ATOM 0 HA LYS B 46 -6.617 1.530 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.332 0.452 0.214 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.508 1.118 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -7.843 -0.579 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -6.654 -1.239 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -8.443 -1.803 0.119 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -9.651 -1.067 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -9.795 -3.385 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -8.834 -2.722 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -7.850 -4.743 -1.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -6.817 -3.405 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -7.703 -3.964 -0.297 1.00 0.00 H new ATOM 1998 N TYR B 47 -5.896 3.039 0.269 1.00 0.00 N ATOM 1999 CA TYR B 47 -5.907 4.366 0.935 1.00 0.00 C ATOM 2000 C TYR B 47 -5.306 5.405 -0.015 1.00 0.00 C ATOM 2001 O TYR B 47 -5.803 6.506 -0.146 1.00 0.00 O ATOM 2002 CB TYR B 47 -5.082 4.289 2.232 1.00 0.00 C ATOM 2003 CG TYR B 47 -5.572 5.331 3.207 1.00 0.00 C ATOM 2004 CD1 TYR B 47 -6.865 5.225 3.726 1.00 0.00 C ATOM 2005 CD2 TYR B 47 -4.750 6.400 3.585 1.00 0.00 C ATOM 2006 CE1 TYR B 47 -7.338 6.180 4.626 1.00 0.00 C ATOM 2007 CE2 TYR B 47 -5.225 7.359 4.487 1.00 0.00 C ATOM 2008 CZ TYR B 47 -6.522 7.249 5.006 1.00 0.00 C ATOM 2009 OH TYR B 47 -6.994 8.190 5.894 1.00 0.00 O ATOM 0 H TYR B 47 -5.388 2.309 0.768 1.00 0.00 H new ATOM 0 HA TYR B 47 -6.928 4.655 1.182 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -5.169 3.296 2.672 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -4.026 4.449 2.013 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -7.499 4.402 3.430 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -3.752 6.484 3.181 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -8.336 6.093 5.030 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -4.593 8.183 4.783 1.00 0.00 H new ATOM 0 HH TYR B 47 -6.470 8.151 6.721 1.00 0.00 H new ATOM 2019 N ILE B 48 -4.248 5.055 -0.688 1.00 0.00 N ATOM 2020 CA ILE B 48 -3.626 6.012 -1.639 1.00 0.00 C ATOM 2021 C ILE B 48 -4.639 6.335 -2.738 1.00 0.00 C ATOM 2022 O ILE B 48 -4.805 7.471 -3.133 1.00 0.00 O ATOM 2023 CB ILE B 48 -2.381 5.377 -2.260 1.00 0.00 C ATOM 2024 CG1 ILE B 48 -1.318 5.199 -1.176 1.00 0.00 C ATOM 2025 CG2 ILE B 48 -1.833 6.287 -3.364 1.00 0.00 C ATOM 2026 CD1 ILE B 48 -0.179 4.331 -1.711 1.00 0.00 C ATOM 0 H ILE B 48 -3.788 4.147 -0.620 1.00 0.00 H new ATOM 0 HA ILE B 48 -3.339 6.925 -1.117 1.00 0.00 H new ATOM 0 HB ILE B 48 -2.640 4.409 -2.688 1.00 0.00 H new ATOM 0 HG12 ILE B 48 -0.933 6.171 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -1.758 4.735 -0.293 1.00 0.00 H new ATOM 0 HG21 ILE B 48 -0.946 5.831 -3.804 1.00 0.00 H new ATOM 0 HG22 ILE B 48 -2.592 6.422 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE B 48 -1.571 7.256 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.578 4.206 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.570 3.355 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.268 4.813 -2.580 1.00 0.00 H new ATOM 2038 N ALA B 49 -5.327 5.340 -3.229 1.00 0.00 N ATOM 2039 CA ALA B 49 -6.338 5.589 -4.298 1.00 0.00 C ATOM 2040 C ALA B 49 -7.394 6.568 -3.779 1.00 0.00 C ATOM 2041 O ALA B 49 -7.874 7.419 -4.503 1.00 0.00 O ATOM 2042 CB ALA B 49 -7.015 4.271 -4.687 1.00 0.00 C ATOM 0 H ALA B 49 -5.234 4.367 -2.937 1.00 0.00 H new ATOM 0 HA ALA B 49 -5.843 6.012 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -7.752 4.457 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -6.265 3.572 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -7.510 3.845 -3.814 1.00 0.00 H new ATOM 2048 N PHE B 50 -7.757 6.461 -2.531 1.00 0.00 N ATOM 2049 CA PHE B 50 -8.776 7.395 -1.976 1.00 0.00 C ATOM 2050 C PHE B 50 -8.242 8.823 -2.115 1.00 0.00 C ATOM 2051 O PHE B 50 -8.916 9.710 -2.600 1.00 0.00 O ATOM 2052 CB PHE B 50 -9.009 7.060 -0.493 1.00 0.00 C ATOM 2053 CG PHE B 50 -10.348 7.591 -0.044 1.00 0.00 C ATOM 2054 CD1 PHE B 50 -11.514 6.882 -0.351 1.00 0.00 C ATOM 2055 CD2 PHE B 50 -10.425 8.786 0.683 1.00 0.00 C ATOM 2056 CE1 PHE B 50 -12.758 7.365 0.068 1.00 0.00 C ATOM 2057 CE2 PHE B 50 -11.669 9.269 1.102 1.00 0.00 C ATOM 2058 CZ PHE B 50 -12.835 8.559 0.793 1.00 0.00 C ATOM 0 H PHE B 50 -7.394 5.770 -1.874 1.00 0.00 H new ATOM 0 HA PHE B 50 -9.720 7.301 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE B 50 -8.969 5.981 -0.346 1.00 0.00 H new ATOM 0 HB3 PHE B 50 -8.215 7.494 0.115 1.00 0.00 H new ATOM 0 HD1 PHE B 50 -11.454 5.961 -0.912 1.00 0.00 H new ATOM 0 HD2 PHE B 50 -9.525 9.334 0.920 1.00 0.00 H new ATOM 0 HE1 PHE B 50 -13.658 6.817 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE B 50 -11.730 10.189 1.664 1.00 0.00 H new ATOM 0 HZ PHE B 50 -13.796 8.933 1.115 1.00 0.00 H new ATOM 2068 N LEU B 51 -7.020 9.037 -1.715 1.00 0.00 N ATOM 2069 CA LEU B 51 -6.406 10.389 -1.841 1.00 0.00 C ATOM 2070 C LEU B 51 -6.236 10.718 -3.327 1.00 0.00 C ATOM 2071 O LEU B 51 -6.413 11.842 -3.759 1.00 0.00 O ATOM 2072 CB LEU B 51 -5.036 10.393 -1.158 1.00 0.00 C ATOM 2073 CG LEU B 51 -5.198 10.123 0.343 1.00 0.00 C ATOM 2074 CD1 LEU B 51 -3.811 10.051 0.989 1.00 0.00 C ATOM 2075 CD2 LEU B 51 -6.022 11.246 1.002 1.00 0.00 C ATOM 0 H LEU B 51 -6.415 8.327 -1.303 1.00 0.00 H new ATOM 0 HA LEU B 51 -7.046 11.133 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -4.395 9.633 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -4.546 11.354 -1.312 1.00 0.00 H new ATOM 0 HG LEU B 51 -5.723 9.178 0.485 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -3.916 9.859 2.057 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -3.237 9.245 0.531 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -3.291 10.997 0.840 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -6.129 11.041 2.067 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -5.512 12.200 0.865 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -7.008 11.292 0.540 1.00 0.00 H new ATOM 2087 N ARG B 52 -5.881 9.736 -4.111 1.00 0.00 N ATOM 2088 CA ARG B 52 -5.682 9.967 -5.569 1.00 0.00 C ATOM 2089 C ARG B 52 -6.951 10.591 -6.152 1.00 0.00 C ATOM 2090 O ARG B 52 -6.899 11.507 -6.948 1.00 0.00 O ATOM 2091 CB ARG B 52 -5.404 8.625 -6.268 1.00 0.00 C ATOM 2092 CG ARG B 52 -4.821 8.873 -7.673 1.00 0.00 C ATOM 2093 CD ARG B 52 -3.298 9.093 -7.584 1.00 0.00 C ATOM 2094 NE ARG B 52 -2.869 10.030 -8.667 1.00 0.00 N ATOM 2095 CZ ARG B 52 -1.859 10.848 -8.485 1.00 0.00 C ATOM 2096 NH1 ARG B 52 -1.200 10.854 -7.356 1.00 0.00 N ATOM 2097 NH2 ARG B 52 -1.506 11.664 -9.441 1.00 0.00 N ATOM 0 H ARG B 52 -5.720 8.778 -3.801 1.00 0.00 H new ATOM 0 HA ARG B 52 -4.836 10.637 -5.724 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -4.706 8.034 -5.675 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -6.325 8.048 -6.344 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -5.036 8.022 -8.320 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -5.296 9.744 -8.124 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -3.035 9.502 -6.608 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -2.775 8.142 -7.683 1.00 0.00 H new ATOM 0 HE ARG B 52 -3.367 10.034 -9.557 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -1.469 10.218 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -0.417 11.494 -7.226 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -2.015 11.664 -10.325 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -0.722 12.301 -9.304 1.00 0.00 H new ATOM 2111 N SER B 53 -8.089 10.099 -5.754 1.00 0.00 N ATOM 2112 CA SER B 53 -9.370 10.657 -6.274 1.00 0.00 C ATOM 2113 C SER B 53 -9.445 12.151 -5.953 1.00 0.00 C ATOM 2114 O SER B 53 -10.039 12.923 -6.681 1.00 0.00 O ATOM 2115 CB SER B 53 -10.547 9.935 -5.616 1.00 0.00 C ATOM 2116 OG SER B 53 -10.569 10.234 -4.225 1.00 0.00 O ATOM 0 H SER B 53 -8.189 9.332 -5.089 1.00 0.00 H new ATOM 0 HA SER B 53 -9.414 10.515 -7.354 1.00 0.00 H new ATOM 0 HB2 SER B 53 -11.483 10.245 -6.080 1.00 0.00 H new ATOM 0 HB3 SER B 53 -10.458 8.859 -5.766 1.00 0.00 H new ATOM 0 HG SER B 53 -9.800 9.813 -3.788 1.00 0.00 H new ATOM 2122 N LYS B 54 -8.844 12.568 -4.872 1.00 0.00 N ATOM 2123 CA LYS B 54 -8.881 14.013 -4.508 1.00 0.00 C ATOM 2124 C LYS B 54 -7.756 14.747 -5.243 1.00 0.00 C ATOM 2125 O LYS B 54 -7.642 15.955 -5.175 1.00 0.00 O ATOM 2126 CB LYS B 54 -8.683 14.164 -2.999 1.00 0.00 C ATOM 2127 CG LYS B 54 -9.884 13.578 -2.257 1.00 0.00 C ATOM 2128 CD LYS B 54 -9.650 13.690 -0.748 1.00 0.00 C ATOM 2129 CE LYS B 54 -10.868 13.157 0.006 1.00 0.00 C ATOM 2130 NZ LYS B 54 -10.851 11.667 -0.014 1.00 0.00 N ATOM 0 H LYS B 54 -8.329 11.971 -4.225 1.00 0.00 H new ATOM 0 HA LYS B 54 -9.844 14.437 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.770 13.655 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -8.564 15.217 -2.742 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -10.793 14.110 -2.536 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -10.026 12.535 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -8.761 13.126 -0.466 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -9.468 14.730 -0.475 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -10.859 13.518 1.035 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -11.784 13.527 -0.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -11.641 11.303 0.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -10.947 11.332 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -9.952 11.325 0.382 1.00 0.00 H new ATOM 2144 N GLY B 55 -6.942 14.028 -5.966 1.00 0.00 N ATOM 2145 CA GLY B 55 -5.841 14.687 -6.729 1.00 0.00 C ATOM 2146 C GLY B 55 -4.694 15.096 -5.794 1.00 0.00 C ATOM 2147 O GLY B 55 -3.994 16.056 -6.050 1.00 0.00 O ATOM 0 H GLY B 55 -6.990 13.014 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -5.467 14.007 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -6.226 15.567 -7.244 1.00 0.00 H new ATOM 2151 N VAL B 56 -4.489 14.383 -4.718 1.00 0.00 N ATOM 2152 CA VAL B 56 -3.379 14.750 -3.788 1.00 0.00 C ATOM 2153 C VAL B 56 -2.034 14.599 -4.520 1.00 0.00 C ATOM 2154 O VAL B 56 -1.842 13.705 -5.319 1.00 0.00 O ATOM 2155 CB VAL B 56 -3.440 13.864 -2.533 1.00 0.00 C ATOM 2156 CG1 VAL B 56 -2.308 14.236 -1.559 1.00 0.00 C ATOM 2157 CG2 VAL B 56 -4.792 14.072 -1.836 1.00 0.00 C ATOM 0 H VAL B 56 -5.037 13.568 -4.443 1.00 0.00 H new ATOM 0 HA VAL B 56 -3.482 15.787 -3.470 1.00 0.00 H new ATOM 0 HB VAL B 56 -3.325 12.821 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -2.365 13.600 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -1.345 14.092 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -2.412 15.280 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -4.842 13.446 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -4.897 15.119 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -5.598 13.799 -2.517 1.00 0.00 H new ATOM 2167 N ASP B 57 -1.126 15.511 -4.276 1.00 0.00 N ATOM 2168 CA ASP B 57 0.202 15.492 -4.970 1.00 0.00 C ATOM 2169 C ASP B 57 1.057 14.288 -4.542 1.00 0.00 C ATOM 2170 O ASP B 57 2.194 14.442 -4.138 1.00 0.00 O ATOM 2171 CB ASP B 57 0.948 16.784 -4.630 1.00 0.00 C ATOM 2172 CG ASP B 57 -0.033 17.955 -4.655 1.00 0.00 C ATOM 2173 OD1 ASP B 57 -0.456 18.326 -5.738 1.00 0.00 O ATOM 2174 OD2 ASP B 57 -0.353 18.455 -3.590 1.00 0.00 O ATOM 0 H ASP B 57 -1.249 16.279 -3.616 1.00 0.00 H new ATOM 0 HA ASP B 57 0.027 15.410 -6.043 1.00 0.00 H new ATOM 0 HB2 ASP B 57 1.410 16.703 -3.646 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.752 16.953 -5.347 1.00 0.00 H new ATOM 2179 N LEU B 58 0.538 13.095 -4.649 1.00 0.00 N ATOM 2180 CA LEU B 58 1.346 11.892 -4.270 1.00 0.00 C ATOM 2181 C LEU B 58 2.528 11.752 -5.233 1.00 0.00 C ATOM 2182 O LEU B 58 3.622 11.392 -4.844 1.00 0.00 O ATOM 2183 CB LEU B 58 0.473 10.623 -4.329 1.00 0.00 C ATOM 2184 CG LEU B 58 -0.221 10.388 -2.971 1.00 0.00 C ATOM 2185 CD1 LEU B 58 0.808 9.938 -1.905 1.00 0.00 C ATOM 2186 CD2 LEU B 58 -0.911 11.682 -2.511 1.00 0.00 C ATOM 0 H LEU B 58 -0.406 12.898 -4.981 1.00 0.00 H new ATOM 0 HA LEU B 58 1.715 12.015 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -0.275 10.724 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU B 58 1.089 9.761 -4.584 1.00 0.00 H new ATOM 0 HG LEU B 58 -0.965 9.601 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU B 58 0.300 9.777 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.281 9.010 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU B 58 1.568 10.710 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -1.400 11.512 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -0.168 12.473 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -1.655 11.980 -3.250 1.00 0.00 H new ATOM 2198 N ASN B 59 2.310 12.020 -6.489 1.00 0.00 N ATOM 2199 CA ASN B 59 3.411 11.891 -7.482 1.00 0.00 C ATOM 2200 C ASN B 59 4.621 12.695 -7.003 1.00 0.00 C ATOM 2201 O ASN B 59 5.744 12.230 -7.042 1.00 0.00 O ATOM 2202 CB ASN B 59 2.931 12.433 -8.832 1.00 0.00 C ATOM 2203 CG ASN B 59 2.474 13.883 -8.665 1.00 0.00 C ATOM 2204 OD1 ASN B 59 1.320 14.128 -8.109 1.00 0.00 O flip ATOM 2205 ND2 ASN B 59 3.176 14.804 -9.040 1.00 0.00 N flip ATOM 0 H ASN B 59 1.415 12.324 -6.872 1.00 0.00 H new ATOM 0 HA ASN B 59 3.695 10.844 -7.589 1.00 0.00 H new ATOM 0 HB2 ASN B 59 3.735 12.376 -9.566 1.00 0.00 H new ATOM 0 HB3 ASN B 59 2.111 11.823 -9.210 1.00 0.00 H new ATOM 0 HD21 ASN B 59 4.079 14.613 -9.475 1.00 0.00 H new ATOM 0 HD22 ASN B 59 2.862 15.767 -8.919 1.00 0.00 H new ATOM 2212 N ALA B 60 4.402 13.893 -6.542 1.00 0.00 N ATOM 2213 CA ALA B 60 5.538 14.721 -6.049 1.00 0.00 C ATOM 2214 C ALA B 60 6.105 14.108 -4.764 1.00 0.00 C ATOM 2215 O ALA B 60 7.296 14.136 -4.522 1.00 0.00 O ATOM 2216 CB ALA B 60 5.056 16.147 -5.765 1.00 0.00 C ATOM 0 H ALA B 60 3.485 14.336 -6.485 1.00 0.00 H new ATOM 0 HA ALA B 60 6.316 14.748 -6.812 1.00 0.00 H new ATOM 0 HB1 ALA B 60 5.891 16.748 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA B 60 4.661 16.587 -6.681 1.00 0.00 H new ATOM 0 HB3 ALA B 60 4.273 16.122 -5.007 1.00 0.00 H new ATOM 2222 N LEU B 61 5.258 13.560 -3.934 1.00 0.00 N ATOM 2223 CA LEU B 61 5.743 12.954 -2.659 1.00 0.00 C ATOM 2224 C LEU B 61 6.717 11.816 -2.971 1.00 0.00 C ATOM 2225 O LEU B 61 7.791 11.732 -2.410 1.00 0.00 O ATOM 2226 CB LEU B 61 4.537 12.402 -1.890 1.00 0.00 C ATOM 2227 CG LEU B 61 4.985 11.730 -0.584 1.00 0.00 C ATOM 2228 CD1 LEU B 61 5.771 12.725 0.285 1.00 0.00 C ATOM 2229 CD2 LEU B 61 3.740 11.249 0.176 1.00 0.00 C ATOM 0 H LEU B 61 4.250 13.506 -4.084 1.00 0.00 H new ATOM 0 HA LEU B 61 6.255 13.706 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU B 61 3.840 13.210 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU B 61 4.003 11.682 -2.510 1.00 0.00 H new ATOM 0 HG LEU B 61 5.633 10.884 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU B 61 6.082 12.235 1.208 1.00 0.00 H new ATOM 0 HD12 LEU B 61 6.651 13.067 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU B 61 5.137 13.579 0.524 1.00 0.00 H new ATOM 0 HD21 LEU B 61 4.044 10.769 1.106 1.00 0.00 H new ATOM 0 HD22 LEU B 61 3.099 12.101 0.400 1.00 0.00 H new ATOM 0 HD23 LEU B 61 3.192 10.534 -0.438 1.00 0.00 H new ATOM 2241 N PHE B 62 6.355 10.950 -3.873 1.00 0.00 N ATOM 2242 CA PHE B 62 7.265 9.828 -4.235 1.00 0.00 C ATOM 2243 C PHE B 62 8.496 10.377 -4.963 1.00 0.00 C ATOM 2244 O PHE B 62 9.612 9.995 -4.688 1.00 0.00 O ATOM 2245 CB PHE B 62 6.517 8.844 -5.147 1.00 0.00 C ATOM 2246 CG PHE B 62 5.731 7.854 -4.314 1.00 0.00 C ATOM 2247 CD1 PHE B 62 4.564 8.257 -3.653 1.00 0.00 C ATOM 2248 CD2 PHE B 62 6.175 6.531 -4.202 1.00 0.00 C ATOM 2249 CE1 PHE B 62 3.841 7.333 -2.887 1.00 0.00 C ATOM 2250 CE2 PHE B 62 5.451 5.612 -3.439 1.00 0.00 C ATOM 2251 CZ PHE B 62 4.285 6.015 -2.779 1.00 0.00 C ATOM 0 H PHE B 62 5.468 10.970 -4.376 1.00 0.00 H new ATOM 0 HA PHE B 62 7.587 9.312 -3.331 1.00 0.00 H new ATOM 0 HB2 PHE B 62 5.844 9.390 -5.808 1.00 0.00 H new ATOM 0 HB3 PHE B 62 7.227 8.314 -5.782 1.00 0.00 H new ATOM 0 HD1 PHE B 62 4.222 9.278 -3.734 1.00 0.00 H new ATOM 0 HD2 PHE B 62 7.078 6.221 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE B 62 2.939 7.642 -2.380 1.00 0.00 H new ATOM 0 HE2 PHE B 62 5.791 4.590 -3.358 1.00 0.00 H new ATOM 0 HZ PHE B 62 3.728 5.305 -2.185 1.00 0.00 H new ATOM 2261 N ASP B 63 8.297 11.267 -5.893 1.00 0.00 N ATOM 2262 CA ASP B 63 9.454 11.827 -6.646 1.00 0.00 C ATOM 2263 C ASP B 63 10.486 12.384 -5.663 1.00 0.00 C ATOM 2264 O ASP B 63 11.675 12.359 -5.915 1.00 0.00 O ATOM 2265 CB ASP B 63 8.958 12.929 -7.584 1.00 0.00 C ATOM 2266 CG ASP B 63 8.096 12.298 -8.680 1.00 0.00 C ATOM 2267 OD1 ASP B 63 8.343 11.149 -9.010 1.00 0.00 O ATOM 2268 OD2 ASP B 63 7.205 12.971 -9.172 1.00 0.00 O ATOM 0 H ASP B 63 7.384 11.631 -6.165 1.00 0.00 H new ATOM 0 HA ASP B 63 9.926 11.043 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP B 63 8.379 13.666 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP B 63 9.803 13.456 -8.026 1.00 0.00 H new ATOM 2273 N ARG B 64 10.045 12.863 -4.532 1.00 0.00 N ATOM 2274 CA ARG B 64 11.003 13.391 -3.522 1.00 0.00 C ATOM 2275 C ARG B 64 11.654 12.196 -2.813 1.00 0.00 C ATOM 2276 O ARG B 64 12.714 12.301 -2.225 1.00 0.00 O ATOM 2277 CB ARG B 64 10.231 14.287 -2.527 1.00 0.00 C ATOM 2278 CG ARG B 64 10.983 14.466 -1.193 1.00 0.00 C ATOM 2279 CD ARG B 64 12.311 15.195 -1.416 1.00 0.00 C ATOM 2280 NE ARG B 64 12.043 16.604 -1.817 1.00 0.00 N ATOM 2281 CZ ARG B 64 13.035 17.422 -2.026 1.00 0.00 C ATOM 2282 NH1 ARG B 64 14.266 17.010 -1.887 1.00 0.00 N ATOM 2283 NH2 ARG B 64 12.795 18.657 -2.371 1.00 0.00 N ATOM 0 H ARG B 64 9.062 12.911 -4.264 1.00 0.00 H new ATOM 0 HA ARG B 64 11.784 13.993 -3.987 1.00 0.00 H new ATOM 0 HB2 ARG B 64 10.060 15.264 -2.979 1.00 0.00 H new ATOM 0 HB3 ARG B 64 9.251 13.850 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG B 64 10.365 15.030 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG B 64 11.168 13.492 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG B 64 12.908 15.172 -0.504 1.00 0.00 H new ATOM 0 HD3 ARG B 64 12.890 14.690 -2.189 1.00 0.00 H new ATOM 0 HE ARG B 64 11.082 16.929 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG B 64 14.453 16.045 -1.614 1.00 0.00 H new ATOM 0 HH12 ARG B 64 15.041 17.653 -2.051 1.00 0.00 H new ATOM 0 HH21 ARG B 64 11.833 18.979 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG B 64 13.569 19.300 -2.535 1.00 0.00 H new ATOM 2297 N ILE B 65 11.016 11.055 -2.871 1.00 0.00 N ATOM 2298 CA ILE B 65 11.571 9.834 -2.214 1.00 0.00 C ATOM 2299 C ILE B 65 12.337 8.996 -3.246 1.00 0.00 C ATOM 2300 O ILE B 65 13.244 8.261 -2.912 1.00 0.00 O ATOM 2301 CB ILE B 65 10.415 9.014 -1.640 1.00 0.00 C ATOM 2302 CG1 ILE B 65 9.728 9.823 -0.538 1.00 0.00 C ATOM 2303 CG2 ILE B 65 10.954 7.706 -1.056 1.00 0.00 C ATOM 2304 CD1 ILE B 65 8.425 9.134 -0.129 1.00 0.00 C ATOM 0 H ILE B 65 10.126 10.916 -3.350 1.00 0.00 H new ATOM 0 HA ILE B 65 12.253 10.122 -1.414 1.00 0.00 H new ATOM 0 HB ILE B 65 9.699 8.785 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE B 65 10.388 9.915 0.324 1.00 0.00 H new ATOM 0 HG13 ILE B 65 9.521 10.834 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE B 65 10.129 7.123 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE B 65 11.449 7.134 -1.841 1.00 0.00 H new ATOM 0 HG23 ILE B 65 11.669 7.929 -0.263 1.00 0.00 H new ATOM 0 HD11 ILE B 65 7.938 9.713 0.656 1.00 0.00 H new ATOM 0 HD12 ILE B 65 7.763 9.065 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE B 65 8.644 8.132 0.241 1.00 0.00 H new ATOM 2316 N ILE B 66 11.980 9.101 -4.500 1.00 0.00 N ATOM 2317 CA ILE B 66 12.693 8.311 -5.550 1.00 0.00 C ATOM 2318 C ILE B 66 14.161 8.750 -5.621 1.00 0.00 C ATOM 2319 O ILE B 66 15.058 7.937 -5.720 1.00 0.00 O ATOM 2320 CB ILE B 66 12.024 8.541 -6.914 1.00 0.00 C ATOM 2321 CG1 ILE B 66 10.632 7.889 -6.932 1.00 0.00 C ATOM 2322 CG2 ILE B 66 12.881 7.926 -8.024 1.00 0.00 C ATOM 2323 CD1 ILE B 66 9.838 8.335 -8.175 1.00 0.00 C ATOM 0 H ILE B 66 11.227 9.698 -4.843 1.00 0.00 H new ATOM 0 HA ILE B 66 12.644 7.252 -5.296 1.00 0.00 H new ATOM 0 HB ILE B 66 11.926 9.614 -7.080 1.00 0.00 H new ATOM 0 HG12 ILE B 66 10.733 6.804 -6.929 1.00 0.00 H new ATOM 0 HG13 ILE B 66 10.086 8.161 -6.029 1.00 0.00 H new ATOM 0 HG21 ILE B 66 12.401 8.092 -8.989 1.00 0.00 H new ATOM 0 HG22 ILE B 66 13.866 8.392 -8.024 1.00 0.00 H new ATOM 0 HG23 ILE B 66 12.986 6.855 -7.851 1.00 0.00 H new ATOM 0 HD11 ILE B 66 8.856 7.862 -8.168 1.00 0.00 H new ATOM 0 HD12 ILE B 66 9.719 9.418 -8.161 1.00 0.00 H new ATOM 0 HD13 ILE B 66 10.376 8.040 -9.076 1.00 0.00 H new ATOM 2335 N VAL B 67 14.409 10.030 -5.583 1.00 0.00 N ATOM 2336 CA VAL B 67 15.815 10.522 -5.661 1.00 0.00 C ATOM 2337 C VAL B 67 16.524 10.273 -4.325 1.00 0.00 C ATOM 2338 O VAL B 67 16.590 9.157 -3.847 1.00 0.00 O ATOM 2339 CB VAL B 67 15.811 12.025 -5.980 1.00 0.00 C ATOM 2340 CG1 VAL B 67 17.216 12.468 -6.423 1.00 0.00 C ATOM 2341 CG2 VAL B 67 14.812 12.301 -7.112 1.00 0.00 C ATOM 0 H VAL B 67 13.699 10.758 -5.501 1.00 0.00 H new ATOM 0 HA VAL B 67 16.346 9.988 -6.449 1.00 0.00 H new ATOM 0 HB VAL B 67 15.522 12.581 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL B 67 17.207 13.535 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL B 67 17.929 12.272 -5.622 1.00 0.00 H new ATOM 0 HG13 VAL B 67 17.509 11.912 -7.313 1.00 0.00 H new ATOM 0 HG21 VAL B 67 14.807 13.367 -7.341 1.00 0.00 H new ATOM 0 HG22 VAL B 67 15.104 11.741 -8.000 1.00 0.00 H new ATOM 0 HG23 VAL B 67 13.814 11.992 -6.800 1.00 0.00 H new ATOM 2351 N ASN B 68 17.056 11.299 -3.724 1.00 0.00 N ATOM 2352 CA ASN B 68 17.763 11.120 -2.427 1.00 0.00 C ATOM 2353 C ASN B 68 18.095 12.485 -1.835 1.00 0.00 C ATOM 2354 O ASN B 68 17.601 13.506 -2.273 1.00 0.00 O ATOM 2355 CB ASN B 68 19.058 10.329 -2.642 1.00 0.00 C ATOM 2356 CG ASN B 68 19.916 11.003 -3.718 1.00 0.00 C ATOM 2357 OD1 ASN B 68 19.670 12.237 -4.067 1.00 0.00 O flip ATOM 2358 ND2 ASN B 68 20.823 10.396 -4.252 1.00 0.00 N flip ATOM 0 H ASN B 68 17.032 12.256 -4.076 1.00 0.00 H new ATOM 0 HA ASN B 68 17.117 10.571 -1.742 1.00 0.00 H new ATOM 0 HB2 ASN B 68 19.615 10.268 -1.707 1.00 0.00 H new ATOM 0 HB3 ASN B 68 18.824 9.307 -2.940 1.00 0.00 H new ATOM 0 HD21 ASN B 68 21.019 9.432 -3.983 1.00 0.00 H new ATOM 0 HD22 ASN B 68 21.388 10.851 -4.969 1.00 0.00 H new ATOM 2365 N LYS B 69 18.928 12.508 -0.835 1.00 0.00 N ATOM 2366 CA LYS B 69 19.299 13.800 -0.196 1.00 0.00 C ATOM 2367 C LYS B 69 20.487 14.416 -0.934 1.00 0.00 C ATOM 2368 O LYS B 69 21.330 15.058 -0.338 1.00 0.00 O ATOM 2369 CB LYS B 69 19.679 13.541 1.263 1.00 0.00 C ATOM 2370 CG LYS B 69 18.534 12.815 1.984 1.00 0.00 C ATOM 2371 CD LYS B 69 17.297 13.717 2.057 1.00 0.00 C ATOM 2372 CE LYS B 69 16.310 13.148 3.075 1.00 0.00 C ATOM 2373 NZ LYS B 69 15.159 14.083 3.219 1.00 0.00 N ATOM 0 H LYS B 69 19.371 11.683 -0.430 1.00 0.00 H new ATOM 0 HA LYS B 69 18.456 14.489 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS B 69 20.587 12.940 1.309 1.00 0.00 H new ATOM 0 HB3 LYS B 69 19.895 14.485 1.764 1.00 0.00 H new ATOM 0 HG2 LYS B 69 18.290 11.893 1.457 1.00 0.00 H new ATOM 0 HG3 LYS B 69 18.848 12.534 2.989 1.00 0.00 H new ATOM 0 HD2 LYS B 69 17.588 14.728 2.342 1.00 0.00 H new ATOM 0 HD3 LYS B 69 16.826 13.786 1.077 1.00 0.00 H new ATOM 0 HE2 LYS B 69 15.959 12.168 2.751 1.00 0.00 H new ATOM 0 HE3 LYS B 69 16.802 13.008 4.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 14.485 13.699 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 15.502 15.008 3.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 14.686 14.195 2.300 1.00 0.00 H new ATOM 2387 N LEU B 70 20.554 14.231 -2.233 1.00 0.00 N ATOM 2388 CA LEU B 70 21.677 14.810 -3.031 1.00 0.00 C ATOM 2389 C LEU B 70 21.111 15.803 -4.056 1.00 0.00 C ATOM 2390 O LEU B 70 20.425 15.431 -4.988 1.00 0.00 O ATOM 2391 CB LEU B 70 22.409 13.674 -3.759 1.00 0.00 C ATOM 2392 CG LEU B 70 23.822 14.122 -4.149 1.00 0.00 C ATOM 2393 CD1 LEU B 70 24.576 12.937 -4.759 1.00 0.00 C ATOM 2394 CD2 LEU B 70 23.757 15.274 -5.165 1.00 0.00 C ATOM 0 H LEU B 70 19.873 13.700 -2.775 1.00 0.00 H new ATOM 0 HA LEU B 70 22.373 15.330 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU B 70 22.462 12.795 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU B 70 21.852 13.384 -4.650 1.00 0.00 H new ATOM 0 HG LEU B 70 24.344 14.473 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU B 70 25.582 13.251 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU B 70 24.637 12.130 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU B 70 24.047 12.586 -5.645 1.00 0.00 H new ATOM 0 HD21 LEU B 70 24.768 15.581 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU B 70 23.231 14.941 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU B 70 23.226 16.118 -4.725 1.00 0.00 H new ATOM 2406 N GLU B 71 21.416 17.057 -3.892 1.00 0.00 N ATOM 2407 CA GLU B 71 20.939 18.094 -4.843 1.00 0.00 C ATOM 2408 C GLU B 71 21.740 19.369 -4.575 1.00 0.00 C ATOM 2409 O GLU B 71 21.258 20.474 -4.737 1.00 0.00 O ATOM 2410 CB GLU B 71 19.434 18.350 -4.645 1.00 0.00 C ATOM 2411 CG GLU B 71 19.030 18.118 -3.172 1.00 0.00 C ATOM 2412 CD GLU B 71 18.560 16.670 -2.966 1.00 0.00 C ATOM 2413 OE1 GLU B 71 17.956 16.122 -3.874 1.00 0.00 O ATOM 2414 OE2 GLU B 71 18.801 16.140 -1.896 1.00 0.00 O ATOM 0 H GLU B 71 21.986 17.413 -3.125 1.00 0.00 H new ATOM 0 HA GLU B 71 21.084 17.765 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU B 71 19.192 19.372 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU B 71 18.859 17.689 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU B 71 19.877 18.328 -2.519 1.00 0.00 H new ATOM 0 HG3 GLU B 71 18.234 18.808 -2.894 1.00 0.00 H new ATOM 2421 N HIS B 72 22.963 19.206 -4.151 1.00 0.00 N ATOM 2422 CA HIS B 72 23.829 20.380 -3.849 1.00 0.00 C ATOM 2423 C HIS B 72 23.136 21.274 -2.821 1.00 0.00 C ATOM 2424 O HIS B 72 22.945 22.454 -3.036 1.00 0.00 O ATOM 2425 CB HIS B 72 24.107 21.170 -5.138 1.00 0.00 C ATOM 2426 CG HIS B 72 25.236 20.521 -5.889 1.00 0.00 C ATOM 2427 ND1 HIS B 72 26.375 21.218 -6.258 1.00 0.00 N ATOM 2428 CD2 HIS B 72 25.422 19.235 -6.329 1.00 0.00 C ATOM 2429 CE1 HIS B 72 27.191 20.356 -6.890 1.00 0.00 C ATOM 2430 NE2 HIS B 72 26.656 19.135 -6.958 1.00 0.00 N ATOM 0 H HIS B 72 23.404 18.299 -3.999 1.00 0.00 H new ATOM 0 HA HIS B 72 24.778 20.035 -3.439 1.00 0.00 H new ATOM 0 HB2 HIS B 72 23.212 21.199 -5.759 1.00 0.00 H new ATOM 0 HB3 HIS B 72 24.362 22.202 -4.897 1.00 0.00 H new ATOM 0 HD2 HIS B 72 24.718 18.426 -6.205 1.00 0.00 H new ATOM 0 HE1 HIS B 72 28.158 20.619 -7.292 1.00 0.00 H new ATOM 0 HE2 HIS B 72 27.067 18.304 -7.383 1.00 0.00 H new ATOM 2438 N HIS B 73 22.774 20.720 -1.696 1.00 0.00 N ATOM 2439 CA HIS B 73 22.112 21.536 -0.645 1.00 0.00 C ATOM 2440 C HIS B 73 23.122 22.575 -0.159 1.00 0.00 C ATOM 2441 O HIS B 73 22.794 23.720 0.082 1.00 0.00 O ATOM 2442 CB HIS B 73 21.693 20.632 0.524 1.00 0.00 C ATOM 2443 CG HIS B 73 20.718 21.358 1.411 1.00 0.00 C ATOM 2444 ND1 HIS B 73 21.056 21.798 2.684 1.00 0.00 N ATOM 2445 CD2 HIS B 73 19.403 21.713 1.230 1.00 0.00 C ATOM 2446 CE1 HIS B 73 19.965 22.384 3.215 1.00 0.00 C ATOM 2447 NE2 HIS B 73 18.934 22.357 2.369 1.00 0.00 N ATOM 0 H HIS B 73 22.909 19.737 -1.461 1.00 0.00 H new ATOM 0 HA HIS B 73 21.222 22.025 -1.042 1.00 0.00 H new ATOM 0 HB2 HIS B 73 21.239 19.717 0.143 1.00 0.00 H new ATOM 0 HB3 HIS B 73 22.571 20.337 1.099 1.00 0.00 H new ATOM 0 HD2 HIS B 73 18.823 21.521 0.339 1.00 0.00 H new ATOM 0 HE1 HIS B 73 19.930 22.821 4.202 1.00 0.00 H new ATOM 0 HE2 HIS B 73 17.998 22.731 2.525 1.00 0.00 H new ATOM 2455 N HIS B 74 24.355 22.168 -0.024 1.00 0.00 N ATOM 2456 CA HIS B 74 25.422 23.100 0.436 1.00 0.00 C ATOM 2457 C HIS B 74 25.009 23.764 1.751 1.00 0.00 C ATOM 2458 O HIS B 74 25.724 24.595 2.277 1.00 0.00 O ATOM 2459 CB HIS B 74 25.660 24.173 -0.631 1.00 0.00 C ATOM 2460 CG HIS B 74 26.142 23.520 -1.900 1.00 0.00 C ATOM 2461 ND1 HIS B 74 27.159 22.574 -1.905 1.00 0.00 N ATOM 2462 CD2 HIS B 74 25.761 23.667 -3.212 1.00 0.00 C ATOM 2463 CE1 HIS B 74 27.352 22.192 -3.182 1.00 0.00 C ATOM 2464 NE2 HIS B 74 26.527 22.828 -4.015 1.00 0.00 N ATOM 0 H HIS B 74 24.671 21.217 -0.215 1.00 0.00 H new ATOM 0 HA HIS B 74 26.341 22.537 0.597 1.00 0.00 H new ATOM 0 HB2 HIS B 74 24.739 24.724 -0.820 1.00 0.00 H new ATOM 0 HB3 HIS B 74 26.397 24.895 -0.278 1.00 0.00 H new ATOM 0 HD2 HIS B 74 24.986 24.331 -3.565 1.00 0.00 H new ATOM 0 HE1 HIS B 74 28.084 21.461 -3.493 1.00 0.00 H new ATOM 0 HE2 HIS B 74 26.470 22.722 -5.028 1.00 0.00 H new ATOM 2472 N HIS B 75 23.869 23.397 2.285 1.00 0.00 N ATOM 2473 CA HIS B 75 23.390 23.993 3.575 1.00 0.00 C ATOM 2474 C HIS B 75 23.775 25.477 3.653 1.00 0.00 C ATOM 2475 O HIS B 75 24.736 25.842 4.302 1.00 0.00 O ATOM 2476 CB HIS B 75 24.025 23.247 4.751 1.00 0.00 C ATOM 2477 CG HIS B 75 23.290 23.597 6.016 1.00 0.00 C ATOM 2478 ND1 HIS B 75 22.935 24.902 6.326 1.00 0.00 N ATOM 2479 CD2 HIS B 75 22.820 22.825 7.050 1.00 0.00 C ATOM 2480 CE1 HIS B 75 22.279 24.877 7.501 1.00 0.00 C ATOM 2481 NE2 HIS B 75 22.183 23.637 7.982 1.00 0.00 N ATOM 0 H HIS B 75 23.242 22.702 1.878 1.00 0.00 H new ATOM 0 HA HIS B 75 22.305 23.903 3.620 1.00 0.00 H new ATOM 0 HB2 HIS B 75 23.985 22.171 4.579 1.00 0.00 H new ATOM 0 HB3 HIS B 75 25.077 23.516 4.842 1.00 0.00 H new ATOM 0 HD2 HIS B 75 22.928 21.753 7.127 1.00 0.00 H new ATOM 0 HE1 HIS B 75 21.880 25.752 7.993 1.00 0.00 H new ATOM 0 HE2 HIS B 75 21.736 23.345 8.851 1.00 0.00 H new ATOM 2489 N HIS B 76 23.042 26.333 2.991 1.00 0.00 N ATOM 2490 CA HIS B 76 23.374 27.789 3.021 1.00 0.00 C ATOM 2491 C HIS B 76 22.664 28.452 4.213 1.00 0.00 C ATOM 2492 O HIS B 76 21.555 28.099 4.561 1.00 0.00 O ATOM 2493 CB HIS B 76 22.932 28.438 1.681 1.00 0.00 C ATOM 2494 CG HIS B 76 21.628 29.185 1.836 1.00 0.00 C ATOM 2495 ND1 HIS B 76 21.312 30.337 2.515 1.00 0.00 N flip ATOM 2496 CD2 HIS B 76 20.444 28.742 1.266 1.00 0.00 C flip ATOM 2497 CE1 HIS B 76 19.957 30.603 2.370 1.00 0.00 C flip ATOM 2498 NE2 HIS B 76 19.478 29.616 1.609 1.00 0.00 N flip ATOM 0 H HIS B 76 22.227 26.087 2.430 1.00 0.00 H new ATOM 0 HA HIS B 76 24.448 27.928 3.140 1.00 0.00 H new ATOM 0 HB2 HIS B 76 23.706 29.122 1.333 1.00 0.00 H new ATOM 0 HB3 HIS B 76 22.823 27.666 0.919 1.00 0.00 H new ATOM 0 HD2 HIS B 76 20.319 27.858 0.658 1.00 0.00 H new ATOM 0 HE1 HIS B 76 19.406 31.434 2.786 1.00 0.00 H new ATOM 0 HE2 HIS B 76 18.502 29.534 1.323 1.00 0.00 H new ATOM 2506 N HIS B 77 23.291 29.423 4.819 1.00 0.00 N ATOM 2507 CA HIS B 77 22.652 30.127 5.967 1.00 0.00 C ATOM 2508 C HIS B 77 23.429 31.411 6.274 1.00 0.00 C ATOM 2509 O HIS B 77 24.580 31.491 5.880 1.00 0.00 O ATOM 2510 CB HIS B 77 22.641 29.222 7.205 1.00 0.00 C ATOM 2511 CG HIS B 77 24.047 29.008 7.695 1.00 0.00 C ATOM 2512 ND1 HIS B 77 25.148 29.131 6.860 1.00 0.00 N ATOM 2513 CD2 HIS B 77 24.549 28.683 8.933 1.00 0.00 C ATOM 2514 CE1 HIS B 77 26.247 28.885 7.597 1.00 0.00 C ATOM 2515 NE2 HIS B 77 25.935 28.608 8.864 1.00 0.00 N ATOM 2516 OXT HIS B 77 22.855 32.297 6.889 1.00 0.00 O ATOM 0 H HIS B 77 24.220 29.760 4.568 1.00 0.00 H new ATOM 0 HA HIS B 77 21.624 30.375 5.704 1.00 0.00 H new ATOM 0 HB2 HIS B 77 22.037 29.675 7.992 1.00 0.00 H new ATOM 0 HB3 HIS B 77 22.182 28.264 6.962 1.00 0.00 H new ATOM 0 HD2 HIS B 77 23.958 28.513 9.821 1.00 0.00 H new ATOM 0 HE1 HIS B 77 27.255 28.909 7.211 1.00 0.00 H new ATOM 0 HE2 HIS B 77 26.579 28.387 9.623 1.00 0.00 H new TER 2524 HIS B 77