USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 933 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 HIS : no HE2:sc= -1.08 K(o=-0.021,f=-14!) USER MOD Set 1.2: B 115 U O2' : rot 73:sc= 1.06 USER MOD Set 2.1: A 111 SER OG : rot -31:sc= 0.542 USER MOD Set 2.2: A 112 LYS NZ :NH3+ -174:sc= 0.362 (180deg=-0.151) USER MOD Set 3.1: A 79 ASN :FLIP amide:sc= 0.504 F(o=0.4,f=1.1) USER MOD Set 3.2: A 82 SER OG : rot 101:sc= 0.575 USER MOD Set 4.1: A 70 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.01) USER MOD Set 4.2: B 119 A O3' : rot -158:sc= 0.168 USER MOD Set 5.1: A 19 SER OG : rot 88:sc= 0.51 USER MOD Set 5.2: A 22 GLN :FLIP amide:sc= -0.578 F(o=-0.94,f=-0.068) USER MOD Set 6.1: A 1 MET CE :methyl -177:sc= -0.287 (180deg=-0.184) USER MOD Set 6.2: A 6 HIS : no HD1:sc= -1.98! C(o=-2.3!,f=-2.1!) USER MOD Set 6.3: A 7 HIS : no HD1:sc= -0.02 K(o=-2.3,f=-3.2) USER MOD Set 6.4: A 9 HIS : no HD1:sc=-0.00285 X(o=-2.3,f=-2.1) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.084 (180deg=-0.0979) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.116 USER MOD Single : A 5 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.038) USER MOD Single : A 8 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 10 HIS : no HD1:sc= -0.324 K(o=-0.32,f=-6.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -39:sc= 0.775 USER MOD Single : A 20 HIS : no HD1:sc= -0.0813 X(o=-0.081,f=-0.42) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 0.745 (180deg=0.436) USER MOD Single : A 30 ASN : amide:sc= -0.0779 K(o=-0.078,f=-0.74) USER MOD Single : A 34 TYR OH : rot -120:sc= 0.759 USER MOD Single : A 38 GLN : amide:sc= 0.404 K(o=0.4,f=-5.6!) USER MOD Single : A 43 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.4) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 48 MET CE :methyl 169:sc= 0 (180deg=-0.121) USER MOD Single : A 50 MET CE :methyl -167:sc= -0.662 (180deg=-0.822) USER MOD Single : A 54 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.0019) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0206 USER MOD Single : A 59 LYS NZ :NH3+ -145:sc= 1.25 (180deg=1.11) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 1.05 (180deg=1.03) USER MOD Single : A 65 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.062) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 67 ASN : amide:sc= -0.224 K(o=-0.22,f=-1) USER MOD Single : A 69 SER OG : rot 180:sc= 0.14 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 29:sc= 0.454 USER MOD Single : A 77 TYR OH : rot -151:sc= 0.373 USER MOD Single : A 84 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.83) USER MOD Single : A 88 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.074) USER MOD Single : A 90 MET CE :methyl -174:sc= -0.461 (180deg=-0.626) USER MOD Single : A 91 ASN : amide:sc= -0.0261 K(o=-0.026,f=-1.6) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0725) USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00718) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -164:sc= -0.0336 (180deg=-0.307) USER MOD Single : A 107 SER OG : rot 180:sc= 0.156 USER MOD Single : A 108 LYS NZ :NH3+ 166:sc= 2.24 (180deg=1.6) USER MOD Single : A 109 ASN : amide:sc= -0.57 K(o=-0.57,f=-2.9) USER MOD Single : B 115 U O5' : rot 56:sc= 0.317 USER MOD Single : B 116 U O2' : rot -30:sc= 1.2 USER MOD Single : B 117 U O2' : rot -23:sc= 0.172 USER MOD Single : B 118 A O2' : rot 34:sc= 1.54 USER MOD Single : B 119 A O2' : rot 1:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.855 2.917 8.641 1.00 0.00 N ATOM 2 CA MET A 1 1.277 1.788 7.888 1.00 0.00 C ATOM 3 C MET A 1 1.434 0.491 8.675 1.00 0.00 C ATOM 4 O MET A 1 2.278 0.406 9.568 1.00 0.00 O ATOM 5 CB MET A 1 1.918 1.669 6.503 1.00 0.00 C ATOM 6 CG MET A 1 3.400 1.292 6.593 1.00 0.00 C ATOM 7 SD MET A 1 4.236 1.129 4.991 1.00 0.00 S ATOM 8 CE MET A 1 4.239 2.863 4.468 1.00 0.00 C ATOM 0 H1 MET A 1 2.507 3.446 8.027 1.00 0.00 H new ATOM 0 H2 MET A 1 1.092 3.548 8.961 1.00 0.00 H new ATOM 0 H3 MET A 1 2.373 2.555 9.467 1.00 0.00 H new ATOM 0 HA MET A 1 0.213 1.978 7.746 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.386 0.917 5.920 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.815 2.615 5.972 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.918 2.047 7.183 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.490 0.349 7.132 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.671 2.941 3.471 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.216 3.240 4.451 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.831 3.453 5.168 1.00 0.00 H new ATOM 20 N GLY A 2 0.627 -0.520 8.347 1.00 0.00 N ATOM 21 CA GLY A 2 0.688 -1.815 9.007 1.00 0.00 C ATOM 22 C GLY A 2 -0.377 -2.766 8.479 1.00 0.00 C ATOM 23 O GLY A 2 -1.278 -2.353 7.748 1.00 0.00 O ATOM 0 H GLY A 2 -0.084 -0.459 7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.674 -2.254 8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.558 -1.683 10.081 1.00 0.00 H new ATOM 27 N SER A 3 -0.268 -4.046 8.852 1.00 0.00 N ATOM 28 CA SER A 3 -1.178 -5.110 8.432 1.00 0.00 C ATOM 29 C SER A 3 -1.307 -5.250 6.911 1.00 0.00 C ATOM 30 O SER A 3 -2.210 -5.932 6.427 1.00 0.00 O ATOM 31 CB SER A 3 -2.537 -4.942 9.112 1.00 0.00 C ATOM 32 OG SER A 3 -2.392 -5.097 10.509 1.00 0.00 O ATOM 0 H SER A 3 0.474 -4.376 9.469 1.00 0.00 H new ATOM 0 HA SER A 3 -0.736 -6.051 8.760 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.948 -3.958 8.886 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.241 -5.679 8.726 1.00 0.00 H new ATOM 0 HG SER A 3 -3.264 -4.987 10.943 1.00 0.00 H new ATOM 38 N SER A 4 -0.411 -4.613 6.153 1.00 0.00 N ATOM 39 CA SER A 4 -0.420 -4.647 4.699 1.00 0.00 C ATOM 40 C SER A 4 0.928 -4.179 4.159 1.00 0.00 C ATOM 41 O SER A 4 1.663 -3.471 4.850 1.00 0.00 O ATOM 42 CB SER A 4 -1.535 -3.740 4.179 1.00 0.00 C ATOM 43 OG SER A 4 -1.532 -3.705 2.767 1.00 0.00 O ATOM 0 H SER A 4 0.348 -4.054 6.542 1.00 0.00 H new ATOM 0 HA SER A 4 -0.597 -5.668 4.361 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.500 -4.100 4.537 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.404 -2.732 4.573 1.00 0.00 H new ATOM 0 HG SER A 4 -2.253 -3.121 2.453 1.00 0.00 H new ATOM 49 N HIS A 5 1.262 -4.570 2.927 1.00 0.00 N ATOM 50 CA HIS A 5 2.481 -4.117 2.273 1.00 0.00 C ATOM 51 C HIS A 5 2.361 -2.646 1.869 1.00 0.00 C ATOM 52 O HIS A 5 3.363 -2.014 1.537 1.00 0.00 O ATOM 53 CB HIS A 5 2.739 -4.993 1.047 1.00 0.00 C ATOM 54 CG HIS A 5 4.032 -4.661 0.345 1.00 0.00 C ATOM 55 ND1 HIS A 5 5.311 -4.890 0.858 1.00 0.00 N ATOM 56 CD2 HIS A 5 4.140 -4.118 -0.904 1.00 0.00 C ATOM 57 CE1 HIS A 5 6.158 -4.469 -0.095 1.00 0.00 C ATOM 58 NE2 HIS A 5 5.484 -3.999 -1.163 1.00 0.00 N ATOM 0 H HIS A 5 0.697 -5.204 2.363 1.00 0.00 H new ATOM 0 HA HIS A 5 3.319 -4.203 2.965 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.756 -6.039 1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.912 -4.879 0.346 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.328 -3.837 -1.559 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.235 -4.503 -0.016 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.899 -3.621 -2.015 1.00 0.00 H new ATOM 66 N HIS A 6 1.134 -2.106 1.900 1.00 0.00 N ATOM 67 CA HIS A 6 0.829 -0.732 1.520 1.00 0.00 C ATOM 68 C HIS A 6 1.262 -0.425 0.081 1.00 0.00 C ATOM 69 O HIS A 6 1.750 -1.296 -0.638 1.00 0.00 O ATOM 70 CB HIS A 6 1.456 0.215 2.552 1.00 0.00 C ATOM 71 CG HIS A 6 0.962 1.632 2.443 1.00 0.00 C ATOM 72 ND1 HIS A 6 -0.347 2.045 2.704 1.00 0.00 N ATOM 73 CD2 HIS A 6 1.723 2.714 2.113 1.00 0.00 C ATOM 74 CE1 HIS A 6 -0.342 3.376 2.503 1.00 0.00 C ATOM 75 NE2 HIS A 6 0.884 3.804 2.154 1.00 0.00 N ATOM 0 H HIS A 6 0.312 -2.631 2.198 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.251 -0.582 1.526 1.00 0.00 H new ATOM 0 HB2 HIS A 6 1.244 -0.160 3.553 1.00 0.00 H new ATOM 0 HB3 HIS A 6 2.539 0.206 2.431 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.775 2.715 1.868 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -1.207 4.014 2.608 1.00 0.00 H new ATOM 0 HE2 HIS A 6 1.147 4.769 1.954 1.00 0.00 H new ATOM 83 N HIS A 7 1.082 0.828 -0.344 1.00 0.00 N ATOM 84 CA HIS A 7 1.507 1.296 -1.659 1.00 0.00 C ATOM 85 C HIS A 7 3.030 1.417 -1.753 1.00 0.00 C ATOM 86 O HIS A 7 3.541 1.885 -2.770 1.00 0.00 O ATOM 87 CB HIS A 7 0.838 2.640 -1.962 1.00 0.00 C ATOM 88 CG HIS A 7 -0.666 2.579 -1.915 1.00 0.00 C ATOM 89 ND1 HIS A 7 -1.440 2.443 -0.758 1.00 0.00 N ATOM 90 CD2 HIS A 7 -1.493 2.683 -2.997 1.00 0.00 C ATOM 91 CE1 HIS A 7 -2.715 2.460 -1.176 1.00 0.00 C ATOM 92 NE2 HIS A 7 -2.779 2.602 -2.513 1.00 0.00 N ATOM 0 H HIS A 7 0.634 1.549 0.221 1.00 0.00 H new ATOM 0 HA HIS A 7 1.198 0.560 -2.402 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.187 3.382 -1.244 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.151 2.979 -2.949 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.197 2.805 -4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -3.574 2.372 -0.527 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.632 2.643 -3.071 1.00 0.00 H new ATOM 100 N HIS A 8 3.744 0.997 -0.701 1.00 0.00 N ATOM 101 CA HIS A 8 5.194 1.092 -0.576 1.00 0.00 C ATOM 102 C HIS A 8 5.695 2.538 -0.622 1.00 0.00 C ATOM 103 O HIS A 8 4.962 3.461 -0.979 1.00 0.00 O ATOM 104 CB HIS A 8 5.870 0.194 -1.617 1.00 0.00 C ATOM 105 CG HIS A 8 7.358 0.081 -1.427 1.00 0.00 C ATOM 106 ND1 HIS A 8 7.992 -0.476 -0.315 1.00 0.00 N ATOM 107 CD2 HIS A 8 8.302 0.479 -2.330 1.00 0.00 C ATOM 108 CE1 HIS A 8 9.307 -0.388 -0.574 1.00 0.00 C ATOM 109 NE2 HIS A 8 9.523 0.179 -1.774 1.00 0.00 N ATOM 0 H HIS A 8 3.306 0.567 0.114 1.00 0.00 H new ATOM 0 HA HIS A 8 5.474 0.728 0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.428 -0.801 -1.570 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.666 0.587 -2.613 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.124 0.939 -3.291 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.086 -0.727 0.092 1.00 0.00 H new ATOM 0 HE2 HIS A 8 10.434 0.356 -2.198 1.00 0.00 H new ATOM 117 N HIS A 9 6.961 2.735 -0.249 1.00 0.00 N ATOM 118 CA HIS A 9 7.591 4.049 -0.229 1.00 0.00 C ATOM 119 C HIS A 9 7.885 4.538 -1.646 1.00 0.00 C ATOM 120 O HIS A 9 7.957 3.734 -2.573 1.00 0.00 O ATOM 121 CB HIS A 9 8.872 3.975 0.599 1.00 0.00 C ATOM 122 CG HIS A 9 8.634 3.451 1.992 1.00 0.00 C ATOM 123 ND1 HIS A 9 7.926 4.114 2.999 1.00 0.00 N ATOM 124 CD2 HIS A 9 9.103 2.264 2.480 1.00 0.00 C ATOM 125 CE1 HIS A 9 7.975 3.299 4.065 1.00 0.00 C ATOM 126 NE2 HIS A 9 8.674 2.185 3.784 1.00 0.00 N ATOM 0 H HIS A 9 7.579 1.980 0.049 1.00 0.00 H new ATOM 0 HA HIS A 9 6.908 4.767 0.226 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.591 3.332 0.091 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.318 4.968 0.660 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.693 1.533 1.947 1.00 0.00 H new ATOM 0 HE1 HIS A 9 7.515 3.510 5.019 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.855 1.414 4.427 1.00 0.00 H new ATOM 134 N HIS A 10 8.056 5.858 -1.794 1.00 0.00 N ATOM 135 CA HIS A 10 8.292 6.530 -3.072 1.00 0.00 C ATOM 136 C HIS A 10 7.136 6.327 -4.056 1.00 0.00 C ATOM 137 O HIS A 10 6.269 5.478 -3.858 1.00 0.00 O ATOM 138 CB HIS A 10 9.651 6.093 -3.632 1.00 0.00 C ATOM 139 CG HIS A 10 10.154 6.949 -4.765 1.00 0.00 C ATOM 140 ND1 HIS A 10 9.803 6.802 -6.109 1.00 0.00 N ATOM 141 CD2 HIS A 10 11.039 7.981 -4.646 1.00 0.00 C ATOM 142 CE1 HIS A 10 10.485 7.758 -6.765 1.00 0.00 C ATOM 143 NE2 HIS A 10 11.233 8.480 -5.912 1.00 0.00 N ATOM 0 H HIS A 10 8.033 6.503 -1.004 1.00 0.00 H new ATOM 0 HA HIS A 10 8.329 7.607 -2.907 1.00 0.00 H new ATOM 0 HB2 HIS A 10 10.385 6.107 -2.827 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.575 5.062 -3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.497 8.336 -3.735 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.438 7.923 -7.831 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.839 9.262 -6.161 1.00 0.00 H new ATOM 151 N SER A 11 7.119 7.118 -5.134 1.00 0.00 N ATOM 152 CA SER A 11 6.086 7.024 -6.159 1.00 0.00 C ATOM 153 C SER A 11 6.215 5.719 -6.948 1.00 0.00 C ATOM 154 O SER A 11 5.266 5.291 -7.604 1.00 0.00 O ATOM 155 CB SER A 11 6.209 8.237 -7.086 1.00 0.00 C ATOM 156 OG SER A 11 5.250 8.171 -8.120 1.00 0.00 O ATOM 0 H SER A 11 7.820 7.837 -5.316 1.00 0.00 H new ATOM 0 HA SER A 11 5.103 7.020 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.072 9.154 -6.514 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.211 8.275 -7.514 1.00 0.00 H new ATOM 0 HG SER A 11 5.342 8.954 -8.702 1.00 0.00 H new ATOM 162 N SER A 12 7.390 5.081 -6.886 1.00 0.00 N ATOM 163 CA SER A 12 7.684 3.836 -7.584 1.00 0.00 C ATOM 164 C SER A 12 7.489 3.957 -9.102 1.00 0.00 C ATOM 165 O SER A 12 7.366 2.951 -9.801 1.00 0.00 O ATOM 166 CB SER A 12 6.887 2.686 -6.959 1.00 0.00 C ATOM 167 OG SER A 12 7.257 1.447 -7.529 1.00 0.00 O ATOM 0 H SER A 12 8.176 5.428 -6.336 1.00 0.00 H new ATOM 0 HA SER A 12 8.742 3.608 -7.457 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.059 2.662 -5.883 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.820 2.855 -7.107 1.00 0.00 H new ATOM 0 HG SER A 12 7.396 1.559 -8.493 1.00 0.00 H new ATOM 173 N GLY A 13 7.460 5.188 -9.620 1.00 0.00 N ATOM 174 CA GLY A 13 7.298 5.450 -11.040 1.00 0.00 C ATOM 175 C GLY A 13 8.633 5.388 -11.767 1.00 0.00 C ATOM 176 O GLY A 13 9.681 5.199 -11.147 1.00 0.00 O ATOM 0 H GLY A 13 7.550 6.033 -9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.612 4.721 -11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.849 6.433 -11.182 1.00 0.00 H new ATOM 180 N LEU A 14 8.593 5.553 -13.091 1.00 0.00 N ATOM 181 CA LEU A 14 9.790 5.525 -13.912 1.00 0.00 C ATOM 182 C LEU A 14 10.647 6.772 -13.694 1.00 0.00 C ATOM 183 O LEU A 14 10.183 7.771 -13.143 1.00 0.00 O ATOM 184 CB LEU A 14 9.411 5.337 -15.383 1.00 0.00 C ATOM 185 CG LEU A 14 9.003 6.633 -16.088 1.00 0.00 C ATOM 186 CD1 LEU A 14 8.780 6.322 -17.564 1.00 0.00 C ATOM 187 CD2 LEU A 14 7.715 7.211 -15.505 1.00 0.00 C ATOM 0 H LEU A 14 7.732 5.708 -13.615 1.00 0.00 H new ATOM 0 HA LEU A 14 10.401 4.674 -13.610 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.256 4.897 -15.913 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.588 4.625 -15.448 1.00 0.00 H new ATOM 0 HG LEU A 14 9.795 7.369 -15.950 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.488 7.232 -18.088 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.702 5.934 -17.997 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.991 5.577 -17.664 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.458 8.130 -16.031 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.907 6.489 -15.621 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.860 7.427 -14.447 1.00 0.00 H new ATOM 199 N VAL A 15 11.910 6.708 -14.130 1.00 0.00 N ATOM 200 CA VAL A 15 12.849 7.816 -14.032 1.00 0.00 C ATOM 201 C VAL A 15 13.880 7.743 -15.160 1.00 0.00 C ATOM 202 O VAL A 15 14.358 6.654 -15.478 1.00 0.00 O ATOM 203 CB VAL A 15 13.499 7.822 -12.641 1.00 0.00 C ATOM 204 CG1 VAL A 15 14.434 6.625 -12.444 1.00 0.00 C ATOM 205 CG2 VAL A 15 14.306 9.103 -12.422 1.00 0.00 C ATOM 0 H VAL A 15 12.307 5.875 -14.564 1.00 0.00 H new ATOM 0 HA VAL A 15 12.318 8.761 -14.151 1.00 0.00 H new ATOM 0 HB VAL A 15 12.685 7.763 -11.919 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.873 6.667 -11.447 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.868 5.700 -12.553 1.00 0.00 H new ATOM 0 HG13 VAL A 15 15.227 6.656 -13.192 1.00 0.00 H new ATOM 0 HG21 VAL A 15 14.757 9.084 -11.430 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.090 9.172 -13.176 1.00 0.00 H new ATOM 0 HG23 VAL A 15 13.647 9.967 -12.504 1.00 0.00 H new ATOM 215 N PRO A 16 14.235 8.880 -15.777 1.00 0.00 N ATOM 216 CA PRO A 16 15.258 8.931 -16.807 1.00 0.00 C ATOM 217 C PRO A 16 16.588 8.370 -16.310 1.00 0.00 C ATOM 218 O PRO A 16 16.998 8.632 -15.179 1.00 0.00 O ATOM 219 CB PRO A 16 15.384 10.407 -17.190 1.00 0.00 C ATOM 220 CG PRO A 16 14.026 10.990 -16.806 1.00 0.00 C ATOM 221 CD PRO A 16 13.663 10.193 -15.555 1.00 0.00 C ATOM 0 HA PRO A 16 14.985 8.316 -17.665 1.00 0.00 H new ATOM 0 HB2 PRO A 16 16.197 10.894 -16.651 1.00 0.00 H new ATOM 0 HB3 PRO A 16 15.588 10.530 -18.254 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.087 12.059 -16.602 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.289 10.858 -17.599 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.072 10.657 -14.657 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.583 10.137 -15.421 1.00 0.00 H new ATOM 229 N ARG A 17 17.261 7.592 -17.159 1.00 0.00 N ATOM 230 CA ARG A 17 18.573 7.032 -16.850 1.00 0.00 C ATOM 231 C ARG A 17 19.670 8.051 -17.134 1.00 0.00 C ATOM 232 O ARG A 17 19.421 9.099 -17.728 1.00 0.00 O ATOM 233 CB ARG A 17 18.787 5.750 -17.660 1.00 0.00 C ATOM 234 CG ARG A 17 17.792 4.655 -17.272 1.00 0.00 C ATOM 235 CD ARG A 17 17.896 4.332 -15.779 1.00 0.00 C ATOM 236 NE ARG A 17 17.254 3.050 -15.457 1.00 0.00 N ATOM 237 CZ ARG A 17 15.942 2.868 -15.287 1.00 0.00 C ATOM 238 NH1 ARG A 17 15.080 3.872 -15.404 1.00 0.00 N ATOM 239 NH2 ARG A 17 15.467 1.662 -14.999 1.00 0.00 N ATOM 0 H ARG A 17 16.909 7.333 -18.081 1.00 0.00 H new ATOM 0 HA ARG A 17 18.618 6.786 -15.789 1.00 0.00 H new ATOM 0 HB2 ARG A 17 18.687 5.971 -18.723 1.00 0.00 H new ATOM 0 HB3 ARG A 17 19.803 5.388 -17.504 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.778 4.977 -17.509 1.00 0.00 H new ATOM 0 HG3 ARG A 17 17.986 3.756 -17.858 1.00 0.00 H new ATOM 0 HD2 ARG A 17 18.945 4.298 -15.486 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.429 5.129 -15.200 1.00 0.00 H new ATOM 0 HE ARG A 17 17.858 2.235 -15.355 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.416 4.809 -15.629 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.083 3.706 -15.269 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.105 0.871 -14.907 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.464 1.526 -14.870 1.00 0.00 H new ATOM 253 N GLY A 18 20.894 7.737 -16.704 1.00 0.00 N ATOM 254 CA GLY A 18 22.049 8.600 -16.923 1.00 0.00 C ATOM 255 C GLY A 18 22.528 8.569 -18.375 1.00 0.00 C ATOM 256 O GLY A 18 23.426 9.328 -18.741 1.00 0.00 O ATOM 0 H GLY A 18 21.109 6.879 -16.196 1.00 0.00 H new ATOM 0 HA2 GLY A 18 21.793 9.623 -16.649 1.00 0.00 H new ATOM 0 HA3 GLY A 18 22.862 8.289 -16.267 1.00 0.00 H new ATOM 260 N SER A 19 21.938 7.699 -19.201 1.00 0.00 N ATOM 261 CA SER A 19 22.262 7.587 -20.615 1.00 0.00 C ATOM 262 C SER A 19 21.539 8.658 -21.432 1.00 0.00 C ATOM 263 O SER A 19 20.609 9.304 -20.947 1.00 0.00 O ATOM 264 CB SER A 19 21.880 6.190 -21.103 1.00 0.00 C ATOM 265 OG SER A 19 20.486 5.993 -20.985 1.00 0.00 O ATOM 0 H SER A 19 21.214 7.048 -18.897 1.00 0.00 H new ATOM 0 HA SER A 19 23.333 7.742 -20.749 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.185 6.064 -22.142 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.411 5.436 -20.521 1.00 0.00 H new ATOM 0 HG SER A 19 20.041 6.308 -21.799 1.00 0.00 H new ATOM 271 N HIS A 20 21.971 8.848 -22.683 1.00 0.00 N ATOM 272 CA HIS A 20 21.395 9.842 -23.587 1.00 0.00 C ATOM 273 C HIS A 20 21.246 9.291 -25.004 1.00 0.00 C ATOM 274 O HIS A 20 20.957 10.045 -25.933 1.00 0.00 O ATOM 275 CB HIS A 20 22.251 11.112 -23.592 1.00 0.00 C ATOM 276 CG HIS A 20 22.487 11.708 -22.227 1.00 0.00 C ATOM 277 ND1 HIS A 20 23.450 11.281 -21.310 1.00 0.00 N ATOM 278 CD2 HIS A 20 21.801 12.765 -21.702 1.00 0.00 C ATOM 279 CE1 HIS A 20 23.310 12.089 -20.246 1.00 0.00 C ATOM 280 NE2 HIS A 20 22.331 12.987 -20.451 1.00 0.00 N ATOM 0 H HIS A 20 22.734 8.312 -23.097 1.00 0.00 H new ATOM 0 HA HIS A 20 20.398 10.088 -23.223 1.00 0.00 H new ATOM 0 HB2 HIS A 20 23.215 10.884 -24.048 1.00 0.00 H new ATOM 0 HB3 HIS A 20 21.769 11.859 -24.223 1.00 0.00 H new ATOM 0 HD2 HIS A 20 21.002 13.317 -22.174 1.00 0.00 H new ATOM 0 HE1 HIS A 20 23.904 12.026 -19.346 1.00 0.00 H new ATOM 0 HE2 HIS A 20 22.033 13.708 -19.794 1.00 0.00 H new ATOM 288 N MET A 21 21.444 7.982 -25.189 1.00 0.00 N ATOM 289 CA MET A 21 21.369 7.346 -26.498 1.00 0.00 C ATOM 290 C MET A 21 19.924 7.206 -26.982 1.00 0.00 C ATOM 291 O MET A 21 19.698 6.830 -28.131 1.00 0.00 O ATOM 292 CB MET A 21 22.053 5.976 -26.454 1.00 0.00 C ATOM 293 CG MET A 21 23.528 6.110 -26.069 1.00 0.00 C ATOM 294 SD MET A 21 23.834 6.412 -24.309 1.00 0.00 S ATOM 295 CE MET A 21 25.534 7.021 -24.418 1.00 0.00 C ATOM 0 H MET A 21 21.661 7.336 -24.430 1.00 0.00 H new ATOM 0 HA MET A 21 21.889 7.987 -27.210 1.00 0.00 H new ATOM 0 HB2 MET A 21 21.543 5.334 -25.736 1.00 0.00 H new ATOM 0 HB3 MET A 21 21.970 5.493 -27.428 1.00 0.00 H new ATOM 0 HG2 MET A 21 24.049 5.198 -26.362 1.00 0.00 H new ATOM 0 HG3 MET A 21 23.966 6.926 -26.644 1.00 0.00 H new ATOM 0 HE1 MET A 21 25.899 7.262 -23.420 1.00 0.00 H new ATOM 0 HE2 MET A 21 26.168 6.253 -24.860 1.00 0.00 H new ATOM 0 HE3 MET A 21 25.561 7.916 -25.040 1.00 0.00 H new ATOM 305 N GLN A 22 18.949 7.506 -26.117 1.00 0.00 N ATOM 306 CA GLN A 22 17.540 7.453 -26.484 1.00 0.00 C ATOM 307 C GLN A 22 17.079 8.771 -27.103 1.00 0.00 C ATOM 308 O GLN A 22 17.504 9.845 -26.682 1.00 0.00 O ATOM 309 CB GLN A 22 16.674 7.105 -25.272 1.00 0.00 C ATOM 310 CG GLN A 22 17.006 5.723 -24.705 1.00 0.00 C ATOM 311 CD GLN A 22 18.296 5.708 -23.893 1.00 0.00 C ATOM 312 OE1 GLN A 22 18.459 6.664 -22.980 1.00 0.00 O flip ATOM 313 NE2 GLN A 22 19.147 4.843 -24.086 1.00 0.00 N flip ATOM 0 H GLN A 22 19.118 7.790 -25.152 1.00 0.00 H new ATOM 0 HA GLN A 22 17.424 6.668 -27.231 1.00 0.00 H new ATOM 0 HB2 GLN A 22 16.816 7.858 -24.497 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.622 7.136 -25.557 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.182 5.387 -24.075 1.00 0.00 H new ATOM 0 HG3 GLN A 22 17.091 5.010 -25.525 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.992 4.124 -24.793 1.00 0.00 H new ATOM 0 HE22 GLN A 22 20.008 4.844 -23.539 1.00 0.00 H new ATOM 322 N LYS A 23 16.204 8.675 -28.107 1.00 0.00 N ATOM 323 CA LYS A 23 15.617 9.818 -28.802 1.00 0.00 C ATOM 324 C LYS A 23 14.158 9.514 -29.130 1.00 0.00 C ATOM 325 O LYS A 23 13.764 8.351 -29.173 1.00 0.00 O ATOM 326 CB LYS A 23 16.383 10.160 -30.090 1.00 0.00 C ATOM 327 CG LYS A 23 17.817 10.654 -29.867 1.00 0.00 C ATOM 328 CD LYS A 23 18.855 9.532 -29.784 1.00 0.00 C ATOM 329 CE LYS A 23 18.902 8.704 -31.067 1.00 0.00 C ATOM 330 NZ LYS A 23 19.914 7.636 -30.964 1.00 0.00 N ATOM 0 H LYS A 23 15.878 7.778 -28.466 1.00 0.00 H new ATOM 0 HA LYS A 23 15.681 10.684 -28.143 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.412 9.275 -30.726 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.829 10.925 -30.634 1.00 0.00 H new ATOM 0 HG2 LYS A 23 18.089 11.328 -30.680 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.851 11.236 -28.946 1.00 0.00 H new ATOM 0 HD2 LYS A 23 19.839 9.961 -29.592 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.621 8.882 -28.941 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.922 8.266 -31.259 1.00 0.00 H new ATOM 0 HE3 LYS A 23 19.133 9.350 -31.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.692 6.880 -31.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 20.854 8.027 -31.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.911 7.247 -30.000 1.00 0.00 H new ATOM 344 N GLU A 24 13.359 10.556 -29.362 1.00 0.00 N ATOM 345 CA GLU A 24 11.938 10.410 -29.640 1.00 0.00 C ATOM 346 C GLU A 24 11.480 11.405 -30.703 1.00 0.00 C ATOM 347 O GLU A 24 12.016 12.510 -30.808 1.00 0.00 O ATOM 348 CB GLU A 24 11.131 10.621 -28.356 1.00 0.00 C ATOM 349 CG GLU A 24 11.604 9.704 -27.222 1.00 0.00 C ATOM 350 CD GLU A 24 10.693 9.789 -25.994 1.00 0.00 C ATOM 351 OE1 GLU A 24 10.947 9.021 -25.038 1.00 0.00 O ATOM 352 OE2 GLU A 24 9.753 10.613 -26.011 1.00 0.00 O ATOM 0 H GLU A 24 13.683 11.523 -29.362 1.00 0.00 H new ATOM 0 HA GLU A 24 11.769 9.402 -30.018 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.217 11.661 -28.041 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.076 10.435 -28.556 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.636 8.674 -27.578 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.621 9.975 -26.938 1.00 0.00 H new ATOM 359 N GLY A 25 10.483 11.004 -31.490 1.00 0.00 N ATOM 360 CA GLY A 25 9.866 11.852 -32.500 1.00 0.00 C ATOM 361 C GLY A 25 8.690 12.643 -31.924 1.00 0.00 C ATOM 362 O GLY A 25 8.513 12.693 -30.707 1.00 0.00 O ATOM 0 H GLY A 25 10.078 10.069 -31.441 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.609 12.542 -32.901 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.520 11.237 -33.331 1.00 0.00 H new ATOM 366 N PRO A 26 7.883 13.267 -32.795 1.00 0.00 N ATOM 367 CA PRO A 26 6.702 14.019 -32.410 1.00 0.00 C ATOM 368 C PRO A 26 5.608 13.084 -31.881 1.00 0.00 C ATOM 369 O PRO A 26 5.738 11.861 -31.946 1.00 0.00 O ATOM 370 CB PRO A 26 6.253 14.735 -33.685 1.00 0.00 C ATOM 371 CG PRO A 26 6.733 13.806 -34.797 1.00 0.00 C ATOM 372 CD PRO A 26 8.052 13.273 -34.238 1.00 0.00 C ATOM 0 HA PRO A 26 6.909 14.724 -31.605 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.172 14.869 -33.712 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.699 15.726 -33.768 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.021 13.004 -34.991 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.877 14.339 -35.737 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.262 12.271 -34.613 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.889 13.906 -34.533 1.00 0.00 H new ATOM 380 N GLU A 27 4.524 13.654 -31.355 1.00 0.00 N ATOM 381 CA GLU A 27 3.418 12.858 -30.844 1.00 0.00 C ATOM 382 C GLU A 27 2.763 12.047 -31.962 1.00 0.00 C ATOM 383 O GLU A 27 2.575 12.544 -33.074 1.00 0.00 O ATOM 384 CB GLU A 27 2.417 13.781 -30.139 1.00 0.00 C ATOM 385 CG GLU A 27 1.173 13.014 -29.683 1.00 0.00 C ATOM 386 CD GLU A 27 0.219 13.882 -28.861 1.00 0.00 C ATOM 387 OE1 GLU A 27 -0.901 13.398 -28.584 1.00 0.00 O ATOM 388 OE2 GLU A 27 0.607 15.022 -28.512 1.00 0.00 O ATOM 0 H GLU A 27 4.392 14.662 -31.273 1.00 0.00 H new ATOM 0 HA GLU A 27 3.793 12.137 -30.118 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.895 14.247 -29.277 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.123 14.585 -30.814 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.647 12.629 -30.557 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.479 12.153 -29.089 1.00 0.00 H new ATOM 395 N GLY A 28 2.420 10.791 -31.662 1.00 0.00 N ATOM 396 CA GLY A 28 1.779 9.896 -32.615 1.00 0.00 C ATOM 397 C GLY A 28 2.785 9.220 -33.546 1.00 0.00 C ATOM 398 O GLY A 28 2.397 8.426 -34.401 1.00 0.00 O ATOM 0 H GLY A 28 2.582 10.370 -30.747 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.220 9.133 -32.073 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.059 10.458 -33.209 1.00 0.00 H new ATOM 402 N ALA A 29 4.075 9.533 -33.387 1.00 0.00 N ATOM 403 CA ALA A 29 5.143 9.002 -34.214 1.00 0.00 C ATOM 404 C ALA A 29 5.981 7.973 -33.456 1.00 0.00 C ATOM 405 O ALA A 29 7.180 7.852 -33.698 1.00 0.00 O ATOM 406 CB ALA A 29 5.994 10.149 -34.752 1.00 0.00 C ATOM 0 H ALA A 29 4.403 10.174 -32.665 1.00 0.00 H new ATOM 0 HA ALA A 29 4.704 8.475 -35.061 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.795 9.748 -35.373 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.371 10.815 -35.349 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.424 10.705 -33.919 1.00 0.00 H new ATOM 412 N ASN A 30 5.363 7.229 -32.537 1.00 0.00 N ATOM 413 CA ASN A 30 6.068 6.248 -31.721 1.00 0.00 C ATOM 414 C ASN A 30 5.268 4.954 -31.601 1.00 0.00 C ATOM 415 O ASN A 30 4.043 4.988 -31.469 1.00 0.00 O ATOM 416 CB ASN A 30 6.428 6.843 -30.354 1.00 0.00 C ATOM 417 CG ASN A 30 5.473 7.953 -29.933 1.00 0.00 C ATOM 418 OD1 ASN A 30 4.255 7.799 -29.971 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.018 9.093 -29.526 1.00 0.00 N ATOM 0 H ASN A 30 4.364 7.291 -32.340 1.00 0.00 H new ATOM 0 HA ASN A 30 7.004 5.990 -32.217 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.416 6.053 -29.603 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.444 7.236 -30.388 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.422 9.868 -29.235 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.033 9.194 -29.504 1.00 0.00 H new ATOM 426 N LEU A 31 5.961 3.814 -31.649 1.00 0.00 N ATOM 427 CA LEU A 31 5.324 2.511 -31.737 1.00 0.00 C ATOM 428 C LEU A 31 5.771 1.551 -30.643 1.00 0.00 C ATOM 429 O LEU A 31 6.830 1.704 -30.034 1.00 0.00 O ATOM 430 CB LEU A 31 5.640 1.856 -33.087 1.00 0.00 C ATOM 431 CG LEU A 31 5.256 2.698 -34.302 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.527 1.875 -35.557 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.773 3.051 -34.265 1.00 0.00 C ATOM 0 H LEU A 31 6.980 3.775 -31.628 1.00 0.00 H new ATOM 0 HA LEU A 31 4.256 2.694 -31.622 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.708 1.641 -33.132 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.120 0.900 -33.144 1.00 0.00 H new ATOM 0 HG LEU A 31 5.839 3.619 -34.299 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.260 2.457 -36.439 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.585 1.615 -35.601 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.931 0.963 -35.530 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.520 3.651 -35.139 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.181 2.136 -34.269 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.557 3.619 -33.360 1.00 0.00 H new ATOM 445 N PHE A 32 4.922 0.549 -30.422 1.00 0.00 N ATOM 446 CA PHE A 32 5.160 -0.595 -29.565 1.00 0.00 C ATOM 447 C PHE A 32 5.145 -1.931 -30.283 1.00 0.00 C ATOM 448 O PHE A 32 4.373 -2.116 -31.220 1.00 0.00 O ATOM 449 CB PHE A 32 4.264 -0.591 -28.332 1.00 0.00 C ATOM 450 CG PHE A 32 4.789 0.258 -27.207 1.00 0.00 C ATOM 451 CD1 PHE A 32 5.185 -0.357 -26.011 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.892 1.643 -27.357 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.684 0.419 -24.959 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.422 2.418 -26.315 1.00 0.00 C ATOM 455 CZ PHE A 32 5.815 1.806 -25.115 1.00 0.00 C ATOM 0 H PHE A 32 4.003 0.518 -30.863 1.00 0.00 H new ATOM 0 HA PHE A 32 6.187 -0.475 -29.220 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.274 -0.233 -28.614 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.144 -1.615 -27.978 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.105 -1.428 -25.902 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.565 2.115 -28.272 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.968 -0.050 -24.028 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.528 3.486 -26.436 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.219 2.404 -24.311 1.00 0.00 H new ATOM 465 N ILE A 33 5.993 -2.859 -29.844 1.00 0.00 N ATOM 466 CA ILE A 33 6.108 -4.170 -30.452 1.00 0.00 C ATOM 467 C ILE A 33 6.196 -5.197 -29.333 1.00 0.00 C ATOM 468 O ILE A 33 6.913 -4.970 -28.362 1.00 0.00 O ATOM 469 CB ILE A 33 7.344 -4.232 -31.365 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.442 -3.067 -32.365 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.315 -5.552 -32.139 1.00 0.00 C ATOM 472 CD1 ILE A 33 8.113 -1.818 -31.782 1.00 0.00 C ATOM 0 H ILE A 33 6.620 -2.716 -29.052 1.00 0.00 H new ATOM 0 HA ILE A 33 5.239 -4.380 -31.076 1.00 0.00 H new ATOM 0 HB ILE A 33 8.218 -4.157 -30.718 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.002 -3.396 -33.241 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.440 -2.806 -32.707 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.186 -5.610 -32.791 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.331 -6.386 -31.437 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.407 -5.601 -32.741 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.149 -1.036 -32.541 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.541 -1.465 -30.924 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.127 -2.064 -31.466 1.00 0.00 H new ATOM 484 N TYR A 34 5.480 -6.317 -29.454 1.00 0.00 N ATOM 485 CA TYR A 34 5.459 -7.340 -28.417 1.00 0.00 C ATOM 486 C TYR A 34 5.457 -8.699 -29.124 1.00 0.00 C ATOM 487 O TYR A 34 5.467 -8.775 -30.352 1.00 0.00 O ATOM 488 CB TYR A 34 4.164 -7.204 -27.607 1.00 0.00 C ATOM 489 CG TYR A 34 3.727 -5.796 -27.250 1.00 0.00 C ATOM 490 CD1 TYR A 34 2.882 -5.083 -28.113 1.00 0.00 C ATOM 491 CD2 TYR A 34 4.153 -5.210 -26.049 1.00 0.00 C ATOM 492 CE1 TYR A 34 2.425 -3.807 -27.759 1.00 0.00 C ATOM 493 CE2 TYR A 34 3.713 -3.925 -25.692 1.00 0.00 C ATOM 494 CZ TYR A 34 2.829 -3.225 -26.541 1.00 0.00 C ATOM 495 OH TYR A 34 2.369 -1.992 -26.191 1.00 0.00 O ATOM 0 H TYR A 34 4.905 -6.535 -30.267 1.00 0.00 H new ATOM 0 HA TYR A 34 6.317 -7.241 -27.752 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.360 -7.677 -28.170 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.281 -7.769 -26.682 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.582 -5.520 -29.054 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.823 -5.750 -25.396 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.762 -3.269 -28.420 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.050 -3.474 -24.771 1.00 0.00 H new ATOM 0 HH TYR A 34 3.126 -1.379 -26.082 1.00 0.00 H new ATOM 505 N HIS A 35 5.440 -9.770 -28.324 1.00 0.00 N ATOM 506 CA HIS A 35 5.476 -11.162 -28.775 1.00 0.00 C ATOM 507 C HIS A 35 6.771 -11.517 -29.510 1.00 0.00 C ATOM 508 O HIS A 35 6.832 -12.550 -30.174 1.00 0.00 O ATOM 509 CB HIS A 35 4.244 -11.505 -29.622 1.00 0.00 C ATOM 510 CG HIS A 35 2.907 -11.184 -29.014 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.684 -11.424 -29.614 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.664 -10.615 -27.794 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.717 -11.014 -28.774 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.294 -10.513 -27.664 1.00 0.00 N ATOM 0 H HIS A 35 5.399 -9.687 -27.308 1.00 0.00 H new ATOM 0 HA HIS A 35 5.453 -11.777 -27.876 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.324 -10.976 -30.572 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.270 -12.571 -29.848 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.540 -11.840 -30.534 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.403 -10.305 -27.070 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.345 -11.076 -28.958 1.00 0.00 H new ATOM 523 N LEU A 36 7.806 -10.678 -29.398 1.00 0.00 N ATOM 524 CA LEU A 36 9.085 -10.919 -30.052 1.00 0.00 C ATOM 525 C LEU A 36 9.778 -12.127 -29.423 1.00 0.00 C ATOM 526 O LEU A 36 9.684 -12.324 -28.212 1.00 0.00 O ATOM 527 CB LEU A 36 9.985 -9.687 -29.919 1.00 0.00 C ATOM 528 CG LEU A 36 9.394 -8.448 -30.593 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.238 -7.230 -30.228 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.399 -8.609 -32.110 1.00 0.00 C ATOM 0 H LEU A 36 7.776 -9.817 -28.852 1.00 0.00 H new ATOM 0 HA LEU A 36 8.903 -11.119 -31.108 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.151 -9.476 -28.863 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.959 -9.905 -30.358 1.00 0.00 H new ATOM 0 HG LEU A 36 8.367 -8.320 -30.250 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.822 -6.343 -30.705 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.234 -7.096 -29.146 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.262 -7.381 -30.571 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.975 -7.718 -32.572 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.423 -8.746 -32.458 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.803 -9.479 -32.386 1.00 0.00 H new ATOM 542 N PRO A 37 10.475 -12.945 -30.219 1.00 0.00 N ATOM 543 CA PRO A 37 11.275 -14.045 -29.714 1.00 0.00 C ATOM 544 C PRO A 37 12.520 -13.503 -29.011 1.00 0.00 C ATOM 545 O PRO A 37 12.843 -12.320 -29.122 1.00 0.00 O ATOM 546 CB PRO A 37 11.618 -14.885 -30.945 1.00 0.00 C ATOM 547 CG PRO A 37 11.651 -13.846 -32.064 1.00 0.00 C ATOM 548 CD PRO A 37 10.551 -12.863 -31.664 1.00 0.00 C ATOM 0 HA PRO A 37 10.753 -14.648 -28.971 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.577 -15.392 -30.835 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.870 -15.656 -31.130 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.623 -13.357 -32.130 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.454 -14.296 -33.037 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.791 -11.850 -31.989 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.599 -13.129 -32.124 1.00 0.00 H new ATOM 556 N GLN A 38 13.222 -14.375 -28.284 1.00 0.00 N ATOM 557 CA GLN A 38 14.356 -13.986 -27.453 1.00 0.00 C ATOM 558 C GLN A 38 15.547 -13.516 -28.294 1.00 0.00 C ATOM 559 O GLN A 38 16.449 -12.859 -27.778 1.00 0.00 O ATOM 560 CB GLN A 38 14.723 -15.188 -26.576 1.00 0.00 C ATOM 561 CG GLN A 38 15.895 -14.926 -25.626 1.00 0.00 C ATOM 562 CD GLN A 38 15.600 -13.837 -24.601 1.00 0.00 C ATOM 563 OE1 GLN A 38 16.467 -13.023 -24.290 1.00 0.00 O ATOM 564 NE2 GLN A 38 14.383 -13.801 -24.066 1.00 0.00 N ATOM 0 H GLN A 38 13.017 -15.374 -28.257 1.00 0.00 H new ATOM 0 HA GLN A 38 14.082 -13.136 -26.829 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.851 -15.478 -25.990 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.971 -16.033 -27.219 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.146 -15.850 -25.104 1.00 0.00 H new ATOM 0 HG3 GLN A 38 16.771 -14.641 -26.209 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.683 -14.490 -24.343 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.149 -13.085 -23.378 1.00 0.00 H new ATOM 573 N GLU A 39 15.566 -13.849 -29.590 1.00 0.00 N ATOM 574 CA GLU A 39 16.688 -13.531 -30.466 1.00 0.00 C ATOM 575 C GLU A 39 16.706 -12.063 -30.902 1.00 0.00 C ATOM 576 O GLU A 39 17.698 -11.618 -31.484 1.00 0.00 O ATOM 577 CB GLU A 39 16.674 -14.473 -31.672 1.00 0.00 C ATOM 578 CG GLU A 39 15.382 -14.356 -32.477 1.00 0.00 C ATOM 579 CD GLU A 39 15.347 -15.321 -33.663 1.00 0.00 C ATOM 580 OE1 GLU A 39 14.289 -15.366 -34.329 1.00 0.00 O ATOM 581 OE2 GLU A 39 16.367 -16.007 -33.899 1.00 0.00 O ATOM 0 H GLU A 39 14.805 -14.344 -30.055 1.00 0.00 H new ATOM 0 HA GLU A 39 17.607 -13.681 -29.900 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.524 -14.249 -32.317 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.796 -15.501 -31.330 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.531 -14.554 -31.825 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.274 -13.334 -32.840 1.00 0.00 H new ATOM 588 N PHE A 40 15.638 -11.299 -30.637 1.00 0.00 N ATOM 589 CA PHE A 40 15.609 -9.876 -30.948 1.00 0.00 C ATOM 590 C PHE A 40 16.510 -8.988 -30.094 1.00 0.00 C ATOM 591 O PHE A 40 16.889 -9.362 -28.985 1.00 0.00 O ATOM 592 CB PHE A 40 14.181 -9.325 -31.070 1.00 0.00 C ATOM 593 CG PHE A 40 13.494 -9.593 -32.397 1.00 0.00 C ATOM 594 CD1 PHE A 40 13.415 -10.894 -32.910 1.00 0.00 C ATOM 595 CD2 PHE A 40 12.926 -8.531 -33.124 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.770 -11.140 -34.131 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.277 -8.775 -34.342 1.00 0.00 C ATOM 598 CZ PHE A 40 12.200 -10.080 -34.850 1.00 0.00 C ATOM 0 H PHE A 40 14.783 -11.651 -30.206 1.00 0.00 H new ATOM 0 HA PHE A 40 16.065 -9.825 -31.937 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.574 -9.754 -30.272 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.209 -8.248 -30.905 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.854 -11.714 -32.361 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.990 -7.523 -32.742 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.712 -12.147 -34.518 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.835 -7.956 -34.891 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.704 -10.267 -35.791 1.00 0.00 H new ATOM 608 N GLY A 41 16.851 -7.810 -30.620 1.00 0.00 N ATOM 609 CA GLY A 41 17.679 -6.834 -29.923 1.00 0.00 C ATOM 610 C GLY A 41 17.453 -5.440 -30.498 1.00 0.00 C ATOM 611 O GLY A 41 16.711 -5.284 -31.468 1.00 0.00 O ATOM 0 H GLY A 41 16.556 -7.508 -31.549 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.441 -6.839 -28.859 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.730 -7.107 -30.016 1.00 0.00 H new ATOM 615 N ASP A 42 18.083 -4.424 -29.904 1.00 0.00 N ATOM 616 CA ASP A 42 17.880 -3.034 -30.296 1.00 0.00 C ATOM 617 C ASP A 42 18.235 -2.833 -31.763 1.00 0.00 C ATOM 618 O ASP A 42 17.589 -2.050 -32.458 1.00 0.00 O ATOM 619 CB ASP A 42 18.776 -2.124 -29.452 1.00 0.00 C ATOM 620 CG ASP A 42 18.569 -2.282 -27.947 1.00 0.00 C ATOM 621 OD1 ASP A 42 19.354 -1.661 -27.196 1.00 0.00 O ATOM 622 OD2 ASP A 42 17.638 -3.017 -27.551 1.00 0.00 O ATOM 0 H ASP A 42 18.747 -4.545 -29.139 1.00 0.00 H new ATOM 0 HA ASP A 42 16.830 -2.786 -30.139 1.00 0.00 H new ATOM 0 HB2 ASP A 42 19.819 -2.334 -29.690 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.588 -1.087 -29.729 1.00 0.00 H new ATOM 627 N GLN A 43 19.264 -3.536 -32.239 1.00 0.00 N ATOM 628 CA GLN A 43 19.720 -3.408 -33.614 1.00 0.00 C ATOM 629 C GLN A 43 18.840 -4.221 -34.557 1.00 0.00 C ATOM 630 O GLN A 43 18.627 -3.836 -35.707 1.00 0.00 O ATOM 631 CB GLN A 43 21.170 -3.885 -33.688 1.00 0.00 C ATOM 632 CG GLN A 43 21.767 -3.698 -35.087 1.00 0.00 C ATOM 633 CD GLN A 43 21.896 -2.231 -35.484 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.787 -1.332 -34.658 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.134 -1.971 -36.767 1.00 0.00 N ATOM 0 H GLN A 43 19.798 -4.204 -31.683 1.00 0.00 H new ATOM 0 HA GLN A 43 19.655 -2.365 -33.925 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.769 -3.336 -32.962 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.220 -4.938 -33.411 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.750 -4.167 -35.123 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.141 -4.213 -35.816 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.221 -2.737 -37.435 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.230 -1.006 -37.082 1.00 0.00 H new ATOM 644 N ASP A 44 18.323 -5.352 -34.075 1.00 0.00 N ATOM 645 CA ASP A 44 17.475 -6.213 -34.876 1.00 0.00 C ATOM 646 C ASP A 44 16.075 -5.658 -35.110 1.00 0.00 C ATOM 647 O ASP A 44 15.525 -5.805 -36.202 1.00 0.00 O ATOM 648 CB ASP A 44 17.428 -7.628 -34.299 1.00 0.00 C ATOM 649 CG ASP A 44 18.736 -8.396 -34.494 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.770 -9.570 -34.071 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.690 -7.815 -35.057 1.00 0.00 O ATOM 0 H ASP A 44 18.483 -5.688 -33.125 1.00 0.00 H new ATOM 0 HA ASP A 44 17.938 -6.254 -35.862 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.200 -7.573 -33.234 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.615 -8.180 -34.771 1.00 0.00 H new ATOM 656 N ILE A 45 15.494 -5.017 -34.089 1.00 0.00 N ATOM 657 CA ILE A 45 14.189 -4.397 -34.232 1.00 0.00 C ATOM 658 C ILE A 45 14.340 -3.092 -35.016 1.00 0.00 C ATOM 659 O ILE A 45 13.395 -2.637 -35.654 1.00 0.00 O ATOM 660 CB ILE A 45 13.579 -4.168 -32.844 1.00 0.00 C ATOM 661 CG1 ILE A 45 12.078 -3.901 -32.986 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.254 -3.003 -32.117 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.388 -3.882 -31.623 1.00 0.00 C ATOM 0 H ILE A 45 15.911 -4.919 -33.163 1.00 0.00 H new ATOM 0 HA ILE A 45 13.512 -5.047 -34.787 1.00 0.00 H new ATOM 0 HB ILE A 45 13.740 -5.066 -32.247 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.922 -2.947 -33.489 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.627 -4.670 -33.614 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.795 -2.871 -31.137 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.316 -3.217 -31.995 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.132 -2.090 -32.701 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.323 -3.690 -31.757 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.524 -4.846 -31.133 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.823 -3.096 -31.006 1.00 0.00 H new ATOM 675 N LEU A 46 15.534 -2.487 -34.975 1.00 0.00 N ATOM 676 CA LEU A 46 15.813 -1.279 -35.734 1.00 0.00 C ATOM 677 C LEU A 46 15.773 -1.593 -37.224 1.00 0.00 C ATOM 678 O LEU A 46 15.064 -0.925 -37.974 1.00 0.00 O ATOM 679 CB LEU A 46 17.182 -0.722 -35.325 1.00 0.00 C ATOM 680 CG LEU A 46 17.603 0.467 -36.190 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.714 1.684 -35.953 1.00 0.00 C ATOM 682 CD2 LEU A 46 19.048 0.841 -35.875 1.00 0.00 C ATOM 0 H LEU A 46 16.320 -2.823 -34.419 1.00 0.00 H new ATOM 0 HA LEU A 46 15.057 -0.523 -35.522 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.150 -0.415 -34.279 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.931 -1.510 -35.404 1.00 0.00 H new ATOM 0 HG LEU A 46 17.503 0.168 -37.233 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.047 2.506 -36.586 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.681 1.433 -36.196 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.778 1.983 -34.907 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.347 1.688 -36.492 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.133 1.111 -34.822 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.698 -0.008 -36.085 1.00 0.00 H new ATOM 694 N GLN A 47 16.525 -2.606 -37.666 1.00 0.00 N ATOM 695 CA GLN A 47 16.574 -2.968 -39.074 1.00 0.00 C ATOM 696 C GLN A 47 15.254 -3.553 -39.558 1.00 0.00 C ATOM 697 O GLN A 47 14.971 -3.531 -40.754 1.00 0.00 O ATOM 698 CB GLN A 47 17.725 -3.941 -39.319 1.00 0.00 C ATOM 699 CG GLN A 47 19.057 -3.211 -39.139 1.00 0.00 C ATOM 700 CD GLN A 47 20.223 -3.983 -39.743 1.00 0.00 C ATOM 701 OE1 GLN A 47 20.281 -5.208 -39.684 1.00 0.00 O ATOM 702 NE2 GLN A 47 21.167 -3.255 -40.335 1.00 0.00 N ATOM 0 H GLN A 47 17.107 -3.187 -37.062 1.00 0.00 H new ATOM 0 HA GLN A 47 16.747 -2.059 -39.650 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.661 -4.779 -38.625 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.658 -4.355 -40.325 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.996 -2.227 -39.604 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.241 -3.051 -38.077 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.084 -2.239 -40.364 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.973 -3.713 -40.760 1.00 0.00 H new ATOM 711 N MET A 48 14.438 -4.077 -38.639 1.00 0.00 N ATOM 712 CA MET A 48 13.113 -4.565 -38.978 1.00 0.00 C ATOM 713 C MET A 48 12.173 -3.392 -39.259 1.00 0.00 C ATOM 714 O MET A 48 11.209 -3.541 -40.008 1.00 0.00 O ATOM 715 CB MET A 48 12.595 -5.424 -37.822 1.00 0.00 C ATOM 716 CG MET A 48 11.181 -5.950 -38.083 1.00 0.00 C ATOM 717 SD MET A 48 11.050 -7.146 -39.436 1.00 0.00 S ATOM 718 CE MET A 48 11.866 -8.577 -38.682 1.00 0.00 C ATOM 0 H MET A 48 14.680 -4.171 -37.653 1.00 0.00 H new ATOM 0 HA MET A 48 13.159 -5.173 -39.881 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.271 -6.265 -37.665 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.599 -4.836 -36.904 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.807 -6.414 -37.170 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.529 -5.104 -38.301 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.701 -9.458 -39.302 1.00 0.00 H new ATOM 0 HE2 MET A 48 12.936 -8.385 -38.601 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.453 -8.750 -37.688 1.00 0.00 H new ATOM 728 N PHE A 49 12.455 -2.227 -38.663 1.00 0.00 N ATOM 729 CA PHE A 49 11.632 -1.039 -38.815 1.00 0.00 C ATOM 730 C PHE A 49 12.163 0.095 -39.696 1.00 0.00 C ATOM 731 O PHE A 49 11.409 1.002 -40.042 1.00 0.00 O ATOM 732 CB PHE A 49 11.097 -0.567 -37.461 1.00 0.00 C ATOM 733 CG PHE A 49 9.955 -1.399 -36.914 1.00 0.00 C ATOM 734 CD1 PHE A 49 10.177 -2.723 -36.506 1.00 0.00 C ATOM 735 CD2 PHE A 49 8.669 -0.850 -36.813 1.00 0.00 C ATOM 736 CE1 PHE A 49 9.117 -3.494 -36.003 1.00 0.00 C ATOM 737 CE2 PHE A 49 7.607 -1.617 -36.315 1.00 0.00 C ATOM 738 CZ PHE A 49 7.830 -2.943 -35.911 1.00 0.00 C ATOM 0 H PHE A 49 13.266 -2.090 -38.060 1.00 0.00 H new ATOM 0 HA PHE A 49 10.798 -1.382 -39.427 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.914 -0.574 -36.739 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.764 0.467 -37.556 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.166 -3.150 -36.579 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.496 0.171 -37.121 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.292 -4.512 -35.687 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.618 -1.189 -36.242 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.013 -3.538 -35.530 1.00 0.00 H new ATOM 748 N MET A 50 13.447 0.067 -40.072 1.00 0.00 N ATOM 749 CA MET A 50 14.026 1.117 -40.904 1.00 0.00 C ATOM 750 C MET A 50 13.484 1.191 -42.341 1.00 0.00 C ATOM 751 O MET A 50 13.467 2.293 -42.889 1.00 0.00 O ATOM 752 CB MET A 50 15.554 1.018 -40.922 1.00 0.00 C ATOM 753 CG MET A 50 16.147 1.655 -39.666 1.00 0.00 C ATOM 754 SD MET A 50 17.909 2.048 -39.796 1.00 0.00 S ATOM 755 CE MET A 50 18.584 0.391 -40.057 1.00 0.00 C ATOM 0 H MET A 50 14.100 -0.672 -39.812 1.00 0.00 H new ATOM 0 HA MET A 50 13.712 2.046 -40.429 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.856 -0.028 -40.984 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.946 1.516 -41.809 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.598 2.569 -39.442 1.00 0.00 H new ATOM 0 HG3 MET A 50 15.998 0.979 -38.824 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.666 0.415 -39.928 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.147 -0.298 -39.334 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.346 0.056 -41.067 1.00 0.00 H new ATOM 765 N PRO A 51 13.037 0.105 -42.995 1.00 0.00 N ATOM 766 CA PRO A 51 12.503 0.213 -44.345 1.00 0.00 C ATOM 767 C PRO A 51 11.122 0.870 -44.367 1.00 0.00 C ATOM 768 O PRO A 51 10.611 1.182 -45.441 1.00 0.00 O ATOM 769 CB PRO A 51 12.446 -1.223 -44.868 1.00 0.00 C ATOM 770 CG PRO A 51 12.204 -2.031 -43.598 1.00 0.00 C ATOM 771 CD PRO A 51 13.019 -1.277 -42.549 1.00 0.00 C ATOM 0 HA PRO A 51 13.129 0.851 -44.969 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.644 -1.358 -45.593 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.374 -1.512 -45.361 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.146 -2.066 -43.338 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.541 -3.062 -43.706 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.566 -1.365 -41.562 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.029 -1.679 -42.473 1.00 0.00 H new ATOM 779 N PHE A 52 10.511 1.084 -43.197 1.00 0.00 N ATOM 780 CA PHE A 52 9.199 1.711 -43.102 1.00 0.00 C ATOM 781 C PHE A 52 9.301 3.234 -43.054 1.00 0.00 C ATOM 782 O PHE A 52 8.299 3.924 -43.251 1.00 0.00 O ATOM 783 CB PHE A 52 8.495 1.180 -41.852 1.00 0.00 C ATOM 784 CG PHE A 52 8.321 -0.324 -41.837 1.00 0.00 C ATOM 785 CD1 PHE A 52 7.950 -1.011 -43.000 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.540 -1.033 -40.647 1.00 0.00 C ATOM 787 CE1 PHE A 52 7.825 -2.405 -42.980 1.00 0.00 C ATOM 788 CE2 PHE A 52 8.413 -2.429 -40.626 1.00 0.00 C ATOM 789 CZ PHE A 52 8.058 -3.116 -41.796 1.00 0.00 C ATOM 0 H PHE A 52 10.914 0.827 -42.296 1.00 0.00 H new ATOM 0 HA PHE A 52 8.623 1.461 -43.993 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.065 1.479 -40.972 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.515 1.650 -41.772 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.760 -0.465 -43.912 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.807 -0.503 -39.745 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.548 -2.934 -43.880 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.588 -2.974 -39.710 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.964 -4.192 -41.784 1.00 0.00 H new ATOM 799 N GLY A 53 10.500 3.765 -42.794 1.00 0.00 N ATOM 800 CA GLY A 53 10.729 5.200 -42.726 1.00 0.00 C ATOM 801 C GLY A 53 11.920 5.530 -41.833 1.00 0.00 C ATOM 802 O GLY A 53 12.632 4.630 -41.387 1.00 0.00 O ATOM 0 H GLY A 53 11.336 3.206 -42.625 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.904 5.590 -43.729 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.837 5.695 -42.343 1.00 0.00 H new ATOM 806 N ASN A 54 12.142 6.819 -41.567 1.00 0.00 N ATOM 807 CA ASN A 54 13.278 7.256 -40.773 1.00 0.00 C ATOM 808 C ASN A 54 13.016 6.979 -39.294 1.00 0.00 C ATOM 809 O ASN A 54 12.276 7.714 -38.640 1.00 0.00 O ATOM 810 CB ASN A 54 13.529 8.745 -41.014 1.00 0.00 C ATOM 811 CG ASN A 54 14.755 9.216 -40.246 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.859 9.244 -40.786 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.573 9.589 -38.985 1.00 0.00 N ATOM 0 H ASN A 54 11.543 7.577 -41.895 1.00 0.00 H new ATOM 0 HA ASN A 54 14.168 6.702 -41.071 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.669 8.927 -42.079 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.657 9.321 -40.704 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.365 9.913 -38.430 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.641 9.552 -38.572 1.00 0.00 H new ATOM 820 N VAL A 55 13.633 5.919 -38.775 1.00 0.00 N ATOM 821 CA VAL A 55 13.545 5.575 -37.363 1.00 0.00 C ATOM 822 C VAL A 55 14.505 6.457 -36.571 1.00 0.00 C ATOM 823 O VAL A 55 15.692 6.528 -36.889 1.00 0.00 O ATOM 824 CB VAL A 55 13.872 4.091 -37.168 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.841 3.717 -35.690 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.853 3.233 -37.915 1.00 0.00 C ATOM 0 H VAL A 55 14.206 5.277 -39.323 1.00 0.00 H new ATOM 0 HA VAL A 55 12.532 5.748 -37.000 1.00 0.00 H new ATOM 0 HB VAL A 55 14.873 3.911 -37.560 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.076 2.659 -35.577 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.577 4.312 -35.149 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.848 3.913 -35.286 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.091 2.179 -37.773 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.854 3.435 -37.528 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.886 3.472 -38.978 1.00 0.00 H new ATOM 836 N ILE A 56 13.993 7.129 -35.539 1.00 0.00 N ATOM 837 CA ILE A 56 14.793 7.997 -34.685 1.00 0.00 C ATOM 838 C ILE A 56 15.453 7.193 -33.566 1.00 0.00 C ATOM 839 O ILE A 56 16.542 7.546 -33.107 1.00 0.00 O ATOM 840 CB ILE A 56 13.895 9.108 -34.127 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.625 10.117 -35.250 1.00 0.00 C ATOM 842 CG2 ILE A 56 14.566 9.801 -32.937 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.843 11.340 -34.767 1.00 0.00 C ATOM 0 H ILE A 56 13.009 7.084 -35.274 1.00 0.00 H new ATOM 0 HA ILE A 56 15.595 8.451 -35.267 1.00 0.00 H new ATOM 0 HB ILE A 56 12.957 8.681 -33.774 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.574 10.442 -35.677 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.068 9.626 -36.048 1.00 0.00 H new ATOM 0 HG21 ILE A 56 13.912 10.586 -32.557 1.00 0.00 H new ATOM 0 HG22 ILE A 56 14.753 9.071 -32.149 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.511 10.240 -33.257 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.680 12.021 -35.602 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.881 11.021 -34.365 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.410 11.850 -33.988 1.00 0.00 H new ATOM 855 N SER A 57 14.805 6.117 -33.122 1.00 0.00 N ATOM 856 CA SER A 57 15.328 5.279 -32.055 1.00 0.00 C ATOM 857 C SER A 57 14.685 3.897 -32.091 1.00 0.00 C ATOM 858 O SER A 57 13.592 3.730 -32.632 1.00 0.00 O ATOM 859 CB SER A 57 15.078 5.955 -30.708 1.00 0.00 C ATOM 860 OG SER A 57 15.526 5.132 -29.651 1.00 0.00 O ATOM 0 H SER A 57 13.907 5.806 -33.493 1.00 0.00 H new ATOM 0 HA SER A 57 16.401 5.151 -32.196 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.595 6.914 -30.674 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.014 6.162 -30.590 1.00 0.00 H new ATOM 0 HG SER A 57 15.360 5.580 -28.795 1.00 0.00 H new ATOM 866 N ALA A 58 15.374 2.916 -31.507 1.00 0.00 N ATOM 867 CA ALA A 58 14.924 1.537 -31.454 1.00 0.00 C ATOM 868 C ALA A 58 15.447 0.887 -30.176 1.00 0.00 C ATOM 869 O ALA A 58 16.569 1.165 -29.751 1.00 0.00 O ATOM 870 CB ALA A 58 15.423 0.810 -32.703 1.00 0.00 C ATOM 0 H ALA A 58 16.274 3.067 -31.052 1.00 0.00 H new ATOM 0 HA ALA A 58 13.835 1.483 -31.436 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.092 -0.228 -32.676 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.021 1.296 -33.592 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.512 0.843 -32.732 1.00 0.00 H new ATOM 876 N LYS A 59 14.638 0.021 -29.561 1.00 0.00 N ATOM 877 CA LYS A 59 14.963 -0.593 -28.283 1.00 0.00 C ATOM 878 C LYS A 59 14.184 -1.888 -28.086 1.00 0.00 C ATOM 879 O LYS A 59 12.981 -1.933 -28.337 1.00 0.00 O ATOM 880 CB LYS A 59 14.606 0.421 -27.186 1.00 0.00 C ATOM 881 CG LYS A 59 14.683 -0.121 -25.754 1.00 0.00 C ATOM 882 CD LYS A 59 16.085 -0.589 -25.364 1.00 0.00 C ATOM 883 CE LYS A 59 17.134 0.493 -25.647 1.00 0.00 C ATOM 884 NZ LYS A 59 18.481 0.054 -25.242 1.00 0.00 N ATOM 0 H LYS A 59 13.738 -0.271 -29.941 1.00 0.00 H new ATOM 0 HA LYS A 59 16.022 -0.848 -28.245 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.276 1.277 -27.271 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.595 0.788 -27.366 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.360 0.655 -25.060 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.987 -0.953 -25.649 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.103 -0.847 -24.305 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.335 -1.494 -25.917 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.132 0.734 -26.710 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.871 1.406 -25.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.017 0.868 -24.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.402 -0.668 -24.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.976 -0.349 -26.063 1.00 0.00 H new ATOM 898 N VAL A 60 14.867 -2.941 -27.633 1.00 0.00 N ATOM 899 CA VAL A 60 14.215 -4.163 -27.180 1.00 0.00 C ATOM 900 C VAL A 60 14.423 -4.197 -25.672 1.00 0.00 C ATOM 901 O VAL A 60 15.536 -3.993 -25.193 1.00 0.00 O ATOM 902 CB VAL A 60 14.834 -5.381 -27.869 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.471 -6.672 -27.137 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.299 -5.464 -29.296 1.00 0.00 C ATOM 0 H VAL A 60 15.885 -2.967 -27.571 1.00 0.00 H new ATOM 0 HA VAL A 60 13.153 -4.185 -27.426 1.00 0.00 H new ATOM 0 HB VAL A 60 15.918 -5.268 -27.863 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.925 -7.521 -27.649 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.841 -6.626 -26.113 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.388 -6.792 -27.126 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.733 -6.329 -29.798 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.214 -5.565 -29.272 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.567 -4.557 -29.838 1.00 0.00 H new ATOM 914 N PHE A 61 13.352 -4.450 -24.921 1.00 0.00 N ATOM 915 CA PHE A 61 13.408 -4.392 -23.472 1.00 0.00 C ATOM 916 C PHE A 61 14.105 -5.556 -22.776 1.00 0.00 C ATOM 917 O PHE A 61 14.077 -6.679 -23.277 1.00 0.00 O ATOM 918 CB PHE A 61 12.034 -4.068 -22.890 1.00 0.00 C ATOM 919 CG PHE A 61 11.626 -2.636 -23.158 1.00 0.00 C ATOM 920 CD1 PHE A 61 12.336 -1.592 -22.554 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.558 -2.354 -24.016 1.00 0.00 C ATOM 922 CE1 PHE A 61 11.983 -0.262 -22.818 1.00 0.00 C ATOM 923 CE2 PHE A 61 10.202 -1.022 -24.280 1.00 0.00 C ATOM 924 CZ PHE A 61 10.919 0.021 -23.684 1.00 0.00 C ATOM 0 H PHE A 61 12.437 -4.697 -25.298 1.00 0.00 H new ATOM 0 HA PHE A 61 14.081 -3.565 -23.247 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.292 -4.742 -23.317 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.045 -4.246 -21.815 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.155 -1.811 -21.885 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.007 -3.161 -24.476 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.531 0.545 -22.354 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.377 -0.803 -24.941 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.652 1.046 -23.892 1.00 0.00 H new ATOM 934 N ILE A 62 14.724 -5.287 -21.624 1.00 0.00 N ATOM 935 CA ILE A 62 15.462 -6.289 -20.866 1.00 0.00 C ATOM 936 C ILE A 62 14.967 -6.310 -19.422 1.00 0.00 C ATOM 937 O ILE A 62 14.660 -5.261 -18.862 1.00 0.00 O ATOM 938 CB ILE A 62 16.964 -5.981 -20.915 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.510 -5.809 -22.339 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.727 -7.087 -20.184 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.452 -7.087 -23.181 1.00 0.00 C ATOM 0 H ILE A 62 14.725 -4.363 -21.193 1.00 0.00 H new ATOM 0 HA ILE A 62 15.295 -7.271 -21.308 1.00 0.00 H new ATOM 0 HB ILE A 62 17.111 -5.021 -20.421 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.943 -5.026 -22.844 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.544 -5.468 -22.283 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.795 -6.874 -20.215 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.396 -7.133 -19.146 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.534 -8.044 -20.669 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.855 -6.887 -24.174 1.00 0.00 H new ATOM 0 HD12 ILE A 62 18.043 -7.867 -22.700 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.417 -7.418 -23.269 1.00 0.00 H new ATOM 953 N ASP A 63 14.883 -7.497 -18.815 1.00 0.00 N ATOM 954 CA ASP A 63 14.433 -7.618 -17.434 1.00 0.00 C ATOM 955 C ASP A 63 15.660 -7.525 -16.532 1.00 0.00 C ATOM 956 O ASP A 63 16.705 -8.099 -16.835 1.00 0.00 O ATOM 957 CB ASP A 63 13.755 -8.976 -17.247 1.00 0.00 C ATOM 958 CG ASP A 63 12.964 -9.030 -15.938 1.00 0.00 C ATOM 959 OD1 ASP A 63 12.489 -10.134 -15.597 1.00 0.00 O ATOM 960 OD2 ASP A 63 12.840 -7.966 -15.289 1.00 0.00 O ATOM 0 H ASP A 63 15.121 -8.383 -19.260 1.00 0.00 H new ATOM 0 HA ASP A 63 13.723 -6.829 -17.186 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.086 -9.169 -18.086 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.508 -9.764 -17.252 1.00 0.00 H new ATOM 965 N LYS A 64 15.534 -6.802 -15.415 1.00 0.00 N ATOM 966 CA LYS A 64 16.638 -6.600 -14.483 1.00 0.00 C ATOM 967 C LYS A 64 16.863 -7.819 -13.579 1.00 0.00 C ATOM 968 O LYS A 64 17.870 -7.877 -12.875 1.00 0.00 O ATOM 969 CB LYS A 64 16.405 -5.318 -13.665 1.00 0.00 C ATOM 970 CG LYS A 64 15.406 -5.463 -12.508 1.00 0.00 C ATOM 971 CD LYS A 64 14.003 -5.912 -12.916 1.00 0.00 C ATOM 972 CE LYS A 64 13.350 -4.929 -13.888 1.00 0.00 C ATOM 973 NZ LYS A 64 12.025 -5.426 -14.311 1.00 0.00 N ATOM 0 H LYS A 64 14.666 -6.344 -15.136 1.00 0.00 H new ATOM 0 HA LYS A 64 17.553 -6.480 -15.062 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.360 -4.983 -13.261 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.051 -4.535 -14.336 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.806 -6.180 -11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.329 -4.506 -11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.057 -6.898 -13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.380 -6.011 -12.027 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.245 -3.954 -13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.989 -4.791 -14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.631 -4.791 -15.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.123 -6.383 -14.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.387 -5.454 -13.490 1.00 0.00 H new ATOM 987 N GLN A 65 15.941 -8.789 -13.595 1.00 0.00 N ATOM 988 CA GLN A 65 16.038 -9.986 -12.766 1.00 0.00 C ATOM 989 C GLN A 65 16.734 -11.142 -13.478 1.00 0.00 C ATOM 990 O GLN A 65 17.264 -12.039 -12.822 1.00 0.00 O ATOM 991 CB GLN A 65 14.627 -10.447 -12.400 1.00 0.00 C ATOM 992 CG GLN A 65 13.919 -9.478 -11.450 1.00 0.00 C ATOM 993 CD GLN A 65 14.588 -9.431 -10.083 1.00 0.00 C ATOM 994 OE1 GLN A 65 14.240 -10.196 -9.185 1.00 0.00 O ATOM 995 NE2 GLN A 65 15.559 -8.542 -9.912 1.00 0.00 N ATOM 0 H GLN A 65 15.109 -8.762 -14.184 1.00 0.00 H new ATOM 0 HA GLN A 65 16.627 -9.722 -11.888 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.036 -10.555 -13.310 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.679 -11.432 -11.936 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.915 -8.479 -11.887 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.878 -9.779 -11.334 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.823 -7.922 -10.678 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.041 -8.479 -9.015 1.00 0.00 H new ATOM 1004 N THR A 66 16.736 -11.128 -14.813 1.00 0.00 N ATOM 1005 CA THR A 66 17.258 -12.224 -15.619 1.00 0.00 C ATOM 1006 C THR A 66 18.163 -11.796 -16.762 1.00 0.00 C ATOM 1007 O THR A 66 18.852 -12.625 -17.356 1.00 0.00 O ATOM 1008 CB THR A 66 16.137 -13.154 -16.095 1.00 0.00 C ATOM 1009 OG1 THR A 66 15.667 -12.707 -17.346 1.00 0.00 O ATOM 1010 CG2 THR A 66 14.955 -13.175 -15.130 1.00 0.00 C ATOM 0 H THR A 66 16.373 -10.350 -15.364 1.00 0.00 H new ATOM 0 HA THR A 66 17.908 -12.786 -14.948 1.00 0.00 H new ATOM 0 HB THR A 66 16.553 -14.160 -16.156 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.951 -13.299 -17.657 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.187 -13.848 -15.510 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.290 -13.522 -14.152 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.543 -12.170 -15.037 1.00 0.00 H new ATOM 1018 N ASN A 67 18.151 -10.495 -17.059 1.00 0.00 N ATOM 1019 CA ASN A 67 18.921 -9.883 -18.134 1.00 0.00 C ATOM 1020 C ASN A 67 18.516 -10.429 -19.510 1.00 0.00 C ATOM 1021 O ASN A 67 19.166 -10.133 -20.512 1.00 0.00 O ATOM 1022 CB ASN A 67 20.420 -10.025 -17.837 1.00 0.00 C ATOM 1023 CG ASN A 67 21.279 -9.161 -18.749 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.920 -8.033 -19.078 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.429 -9.680 -19.165 1.00 0.00 N ATOM 0 H ASN A 67 17.587 -9.822 -16.540 1.00 0.00 H new ATOM 0 HA ASN A 67 18.695 -8.818 -18.177 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.609 -9.751 -16.799 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.712 -11.069 -17.950 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.042 -9.139 -19.775 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.699 -10.620 -18.874 1.00 0.00 H new ATOM 1032 N LEU A 68 17.446 -11.227 -19.570 1.00 0.00 N ATOM 1033 CA LEU A 68 16.894 -11.715 -20.824 1.00 0.00 C ATOM 1034 C LEU A 68 15.937 -10.683 -21.403 1.00 0.00 C ATOM 1035 O LEU A 68 15.476 -9.788 -20.694 1.00 0.00 O ATOM 1036 CB LEU A 68 16.154 -13.039 -20.597 1.00 0.00 C ATOM 1037 CG LEU A 68 17.079 -14.150 -20.098 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.242 -15.386 -19.776 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.109 -14.516 -21.160 1.00 0.00 C ATOM 0 H LEU A 68 16.941 -11.550 -18.745 1.00 0.00 H new ATOM 0 HA LEU A 68 17.710 -11.883 -21.527 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.354 -12.885 -19.873 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.684 -13.353 -21.529 1.00 0.00 H new ATOM 0 HG LEU A 68 17.601 -13.796 -19.209 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.893 -16.184 -19.419 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.513 -15.141 -19.004 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.721 -15.717 -20.675 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.755 -15.308 -20.782 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.598 -14.862 -22.058 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.711 -13.640 -21.400 1.00 0.00 H new ATOM 1051 N SER A 69 15.631 -10.798 -22.698 1.00 0.00 N ATOM 1052 CA SER A 69 14.681 -9.905 -23.338 1.00 0.00 C ATOM 1053 C SER A 69 13.279 -10.110 -22.788 1.00 0.00 C ATOM 1054 O SER A 69 12.867 -11.243 -22.536 1.00 0.00 O ATOM 1055 CB SER A 69 14.697 -10.123 -24.851 1.00 0.00 C ATOM 1056 OG SER A 69 13.672 -9.360 -25.450 1.00 0.00 O ATOM 0 H SER A 69 16.031 -11.503 -23.318 1.00 0.00 H new ATOM 0 HA SER A 69 14.978 -8.878 -23.123 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.665 -9.834 -25.260 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.557 -11.180 -25.078 1.00 0.00 H new ATOM 0 HG SER A 69 13.685 -9.499 -26.420 1.00 0.00 H new ATOM 1062 N LYS A 70 12.545 -9.011 -22.601 1.00 0.00 N ATOM 1063 CA LYS A 70 11.161 -9.059 -22.147 1.00 0.00 C ATOM 1064 C LYS A 70 10.199 -9.373 -23.294 1.00 0.00 C ATOM 1065 O LYS A 70 8.987 -9.208 -23.148 1.00 0.00 O ATOM 1066 CB LYS A 70 10.783 -7.775 -21.408 1.00 0.00 C ATOM 1067 CG LYS A 70 11.609 -7.657 -20.126 1.00 0.00 C ATOM 1068 CD LYS A 70 10.928 -6.720 -19.129 1.00 0.00 C ATOM 1069 CE LYS A 70 11.037 -5.278 -19.615 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.173 -4.372 -18.837 1.00 0.00 N ATOM 0 H LYS A 70 12.896 -8.067 -22.761 1.00 0.00 H new ATOM 0 HA LYS A 70 11.071 -9.880 -21.436 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.960 -6.910 -22.047 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.720 -7.781 -21.168 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.737 -8.642 -19.678 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.605 -7.283 -20.362 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.880 -6.996 -19.014 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.393 -6.819 -18.148 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.073 -4.946 -19.540 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.762 -5.228 -20.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.476 -3.389 -18.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.186 -4.482 -19.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.247 -4.605 -17.826 1.00 0.00 H new ATOM 1084 N CYS A 71 10.738 -9.818 -24.432 1.00 0.00 N ATOM 1085 CA CYS A 71 9.965 -10.217 -25.596 1.00 0.00 C ATOM 1086 C CYS A 71 9.126 -9.090 -26.210 1.00 0.00 C ATOM 1087 O CYS A 71 8.162 -9.359 -26.923 1.00 0.00 O ATOM 1088 CB CYS A 71 9.144 -11.468 -25.267 1.00 0.00 C ATOM 1089 SG CYS A 71 10.272 -12.844 -24.923 1.00 0.00 S ATOM 0 H CYS A 71 11.745 -9.910 -24.566 1.00 0.00 H new ATOM 0 HA CYS A 71 10.673 -10.465 -26.387 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.504 -11.282 -24.404 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.489 -11.718 -26.102 1.00 0.00 H new ATOM 0 HG CYS A 71 9.583 -13.910 -24.641 1.00 0.00 H new ATOM 1095 N PHE A 72 9.475 -7.825 -25.945 1.00 0.00 N ATOM 1096 CA PHE A 72 8.750 -6.707 -26.536 1.00 0.00 C ATOM 1097 C PHE A 72 9.741 -5.538 -26.542 1.00 0.00 C ATOM 1098 O PHE A 72 10.809 -5.606 -25.933 1.00 0.00 O ATOM 1099 CB PHE A 72 7.534 -6.396 -25.654 1.00 0.00 C ATOM 1100 CG PHE A 72 7.739 -5.399 -24.542 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.291 -4.080 -24.711 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.356 -5.781 -23.345 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.452 -3.145 -23.679 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.511 -4.851 -22.311 1.00 0.00 C ATOM 1105 CZ PHE A 72 8.060 -3.534 -22.478 1.00 0.00 C ATOM 0 H PHE A 72 10.246 -7.558 -25.333 1.00 0.00 H new ATOM 0 HA PHE A 72 8.388 -6.912 -27.543 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.733 -6.029 -26.296 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.186 -7.330 -25.213 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.821 -3.785 -25.638 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.712 -6.793 -23.220 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.109 -2.129 -23.809 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.978 -5.148 -21.384 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.182 -2.818 -21.679 1.00 0.00 H new ATOM 1115 N GLY A 73 9.387 -4.454 -27.238 1.00 0.00 N ATOM 1116 CA GLY A 73 10.283 -3.326 -27.428 1.00 0.00 C ATOM 1117 C GLY A 73 9.561 -2.050 -27.856 1.00 0.00 C ATOM 1118 O GLY A 73 8.335 -1.981 -27.881 1.00 0.00 O ATOM 0 H GLY A 73 8.475 -4.340 -27.681 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.821 -3.137 -26.499 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.028 -3.584 -28.181 1.00 0.00 H new ATOM 1122 N PHE A 74 10.368 -1.041 -28.189 1.00 0.00 N ATOM 1123 CA PHE A 74 9.953 0.300 -28.556 1.00 0.00 C ATOM 1124 C PHE A 74 10.702 0.898 -29.752 1.00 0.00 C ATOM 1125 O PHE A 74 11.904 0.681 -29.900 1.00 0.00 O ATOM 1126 CB PHE A 74 9.908 1.198 -27.311 1.00 0.00 C ATOM 1127 CG PHE A 74 10.164 2.665 -27.574 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.320 3.266 -27.057 1.00 0.00 C ATOM 1129 CD2 PHE A 74 9.264 3.422 -28.336 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.606 4.601 -27.371 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.541 4.763 -28.629 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.723 5.351 -28.159 1.00 0.00 C ATOM 0 H PHE A 74 11.382 -1.151 -28.209 1.00 0.00 H new ATOM 0 HA PHE A 74 8.936 0.231 -28.942 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.930 1.093 -26.841 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.646 0.838 -26.595 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.986 2.703 -26.420 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.353 2.969 -28.699 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.514 5.055 -27.003 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.845 5.343 -29.216 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.952 6.378 -28.403 1.00 0.00 H new ATOM 1142 N VAL A 75 9.995 1.648 -30.603 1.00 0.00 N ATOM 1143 CA VAL A 75 10.554 2.249 -31.811 1.00 0.00 C ATOM 1144 C VAL A 75 9.895 3.610 -32.035 1.00 0.00 C ATOM 1145 O VAL A 75 8.765 3.822 -31.598 1.00 0.00 O ATOM 1146 CB VAL A 75 10.326 1.310 -33.011 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.812 1.927 -34.320 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.043 -0.028 -32.822 1.00 0.00 C ATOM 0 H VAL A 75 9.006 1.856 -30.468 1.00 0.00 H new ATOM 0 HA VAL A 75 11.629 2.395 -31.701 1.00 0.00 H new ATOM 0 HB VAL A 75 9.249 1.150 -33.063 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.632 1.231 -35.139 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.272 2.855 -34.507 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.879 2.136 -34.250 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.860 -0.664 -33.688 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.114 0.145 -32.719 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.667 -0.519 -31.925 1.00 0.00 H new ATOM 1158 N SER A 76 10.584 4.541 -32.709 1.00 0.00 N ATOM 1159 CA SER A 76 10.041 5.872 -32.958 1.00 0.00 C ATOM 1160 C SER A 76 10.444 6.399 -34.333 1.00 0.00 C ATOM 1161 O SER A 76 11.513 6.067 -34.840 1.00 0.00 O ATOM 1162 CB SER A 76 10.485 6.828 -31.852 1.00 0.00 C ATOM 1163 OG SER A 76 9.970 8.123 -32.084 1.00 0.00 O ATOM 0 H SER A 76 11.518 4.391 -33.089 1.00 0.00 H new ATOM 0 HA SER A 76 8.953 5.803 -32.951 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.141 6.461 -30.885 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.574 6.865 -31.810 1.00 0.00 H new ATOM 0 HG SER A 76 9.124 8.056 -32.575 1.00 0.00 H new ATOM 1169 N TYR A 77 9.582 7.226 -34.932 1.00 0.00 N ATOM 1170 CA TYR A 77 9.789 7.827 -36.242 1.00 0.00 C ATOM 1171 C TYR A 77 9.930 9.346 -36.262 1.00 0.00 C ATOM 1172 O TYR A 77 9.511 10.026 -35.331 1.00 0.00 O ATOM 1173 CB TYR A 77 8.711 7.363 -37.223 1.00 0.00 C ATOM 1174 CG TYR A 77 8.850 5.918 -37.628 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.222 4.930 -36.860 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.606 5.571 -38.759 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.348 3.582 -37.217 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.734 4.225 -39.122 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.104 3.228 -38.347 1.00 0.00 C ATOM 1180 OH TYR A 77 9.222 1.916 -38.683 1.00 0.00 O ATOM 0 H TYR A 77 8.698 7.500 -34.503 1.00 0.00 H new ATOM 0 HA TYR A 77 10.767 7.465 -36.560 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.731 7.513 -36.771 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.750 7.988 -38.115 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.641 5.207 -35.993 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.087 6.339 -39.346 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.866 2.817 -36.626 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.313 3.951 -39.992 1.00 0.00 H new ATOM 0 HH TYR A 77 10.076 1.771 -39.141 1.00 0.00 H new ATOM 1190 N ASP A 78 10.522 9.886 -37.332 1.00 0.00 N ATOM 1191 CA ASP A 78 10.623 11.328 -37.516 1.00 0.00 C ATOM 1192 C ASP A 78 9.276 11.957 -37.890 1.00 0.00 C ATOM 1193 O ASP A 78 9.100 13.173 -37.825 1.00 0.00 O ATOM 1194 CB ASP A 78 11.731 11.630 -38.529 1.00 0.00 C ATOM 1195 CG ASP A 78 11.816 13.105 -38.919 1.00 0.00 C ATOM 1196 OD1 ASP A 78 11.746 13.958 -38.006 1.00 0.00 O ATOM 1197 OD2 ASP A 78 11.957 13.370 -40.134 1.00 0.00 O ATOM 0 H ASP A 78 10.939 9.338 -38.085 1.00 0.00 H new ATOM 0 HA ASP A 78 10.896 11.793 -36.568 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.688 11.317 -38.112 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.564 11.034 -39.426 1.00 0.00 H new ATOM 1202 N ASN A 79 8.318 11.115 -38.283 1.00 0.00 N ATOM 1203 CA ASN A 79 6.968 11.534 -38.612 1.00 0.00 C ATOM 1204 C ASN A 79 5.981 10.389 -38.399 1.00 0.00 C ATOM 1205 O ASN A 79 6.347 9.221 -38.552 1.00 0.00 O ATOM 1206 CB ASN A 79 6.904 12.075 -40.046 1.00 0.00 C ATOM 1207 CG ASN A 79 7.708 11.260 -41.056 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.696 9.933 -40.933 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.338 11.822 -41.944 1.00 0.00 N flip ATOM 0 H ASN A 79 8.467 10.111 -38.381 1.00 0.00 H new ATOM 0 HA ASN A 79 6.682 12.344 -37.941 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.862 12.104 -40.366 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.268 13.102 -40.052 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.327 12.840 -42.011 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.873 11.272 -42.616 1.00 0.00 H new ATOM 1216 N PRO A 80 4.728 10.705 -38.046 1.00 0.00 N ATOM 1217 CA PRO A 80 3.713 9.716 -37.734 1.00 0.00 C ATOM 1218 C PRO A 80 3.281 8.924 -38.966 1.00 0.00 C ATOM 1219 O PRO A 80 2.740 7.831 -38.824 1.00 0.00 O ATOM 1220 CB PRO A 80 2.543 10.520 -37.162 1.00 0.00 C ATOM 1221 CG PRO A 80 2.689 11.878 -37.847 1.00 0.00 C ATOM 1222 CD PRO A 80 4.203 12.052 -37.912 1.00 0.00 C ATOM 0 HA PRO A 80 4.089 8.971 -37.033 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.584 10.054 -37.390 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.605 10.607 -36.077 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.237 11.883 -38.839 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.213 12.675 -37.275 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.493 12.675 -38.758 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.584 12.537 -37.013 1.00 0.00 H new ATOM 1230 N VAL A 81 3.511 9.447 -40.175 1.00 0.00 N ATOM 1231 CA VAL A 81 3.096 8.760 -41.390 1.00 0.00 C ATOM 1232 C VAL A 81 3.850 7.444 -41.582 1.00 0.00 C ATOM 1233 O VAL A 81 3.263 6.445 -41.995 1.00 0.00 O ATOM 1234 CB VAL A 81 3.244 9.706 -42.590 1.00 0.00 C ATOM 1235 CG1 VAL A 81 4.708 10.014 -42.908 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.601 9.087 -43.830 1.00 0.00 C ATOM 0 H VAL A 81 3.980 10.339 -40.332 1.00 0.00 H new ATOM 0 HA VAL A 81 2.044 8.487 -41.302 1.00 0.00 H new ATOM 0 HB VAL A 81 2.745 10.637 -42.320 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.761 10.687 -43.764 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.176 10.488 -42.045 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.232 9.087 -43.142 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.712 9.767 -44.675 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.090 8.140 -44.059 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.542 8.912 -43.642 1.00 0.00 H new ATOM 1246 N SER A 82 5.150 7.440 -41.275 1.00 0.00 N ATOM 1247 CA SER A 82 5.960 6.231 -41.357 1.00 0.00 C ATOM 1248 C SER A 82 5.620 5.284 -40.212 1.00 0.00 C ATOM 1249 O SER A 82 5.801 4.077 -40.339 1.00 0.00 O ATOM 1250 CB SER A 82 7.438 6.605 -41.281 1.00 0.00 C ATOM 1251 OG SER A 82 7.794 7.408 -42.389 1.00 0.00 O ATOM 0 H SER A 82 5.662 8.267 -40.967 1.00 0.00 H new ATOM 0 HA SER A 82 5.751 5.731 -42.303 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.638 7.142 -40.354 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.049 5.703 -41.265 1.00 0.00 H new ATOM 0 HG SER A 82 7.822 8.349 -42.116 1.00 0.00 H new ATOM 1257 N ALA A 83 5.124 5.825 -39.095 1.00 0.00 N ATOM 1258 CA ALA A 83 4.792 5.008 -37.942 1.00 0.00 C ATOM 1259 C ALA A 83 3.525 4.203 -38.207 1.00 0.00 C ATOM 1260 O ALA A 83 3.490 3.007 -37.932 1.00 0.00 O ATOM 1261 CB ALA A 83 4.621 5.909 -36.720 1.00 0.00 C ATOM 0 H ALA A 83 4.947 6.822 -38.973 1.00 0.00 H new ATOM 0 HA ALA A 83 5.600 4.302 -37.752 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.371 5.300 -35.851 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.550 6.447 -36.532 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.819 6.624 -36.904 1.00 0.00 H new ATOM 1267 N GLN A 84 2.477 4.839 -38.742 1.00 0.00 N ATOM 1268 CA GLN A 84 1.222 4.142 -38.991 1.00 0.00 C ATOM 1269 C GLN A 84 1.402 3.079 -40.075 1.00 0.00 C ATOM 1270 O GLN A 84 0.711 2.057 -40.056 1.00 0.00 O ATOM 1271 CB GLN A 84 0.139 5.150 -39.389 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.118 6.155 -38.264 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.529 5.479 -36.959 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.239 4.477 -36.959 1.00 0.00 O ATOM 1275 NE2 GLN A 84 -0.084 6.028 -35.831 1.00 0.00 N ATOM 0 H GLN A 84 2.477 5.824 -39.006 1.00 0.00 H new ATOM 0 HA GLN A 84 0.910 3.637 -38.077 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.445 5.680 -40.291 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.784 4.622 -39.627 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.783 6.745 -38.096 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.900 6.848 -38.572 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.504 6.861 -35.866 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.331 5.616 -34.931 1.00 0.00 H new ATOM 1284 N ALA A 85 2.322 3.303 -41.019 1.00 0.00 N ATOM 1285 CA ALA A 85 2.604 2.300 -42.035 1.00 0.00 C ATOM 1286 C ALA A 85 3.280 1.088 -41.395 1.00 0.00 C ATOM 1287 O ALA A 85 2.965 -0.050 -41.735 1.00 0.00 O ATOM 1288 CB ALA A 85 3.538 2.896 -43.086 1.00 0.00 C ATOM 0 H ALA A 85 2.873 4.158 -41.096 1.00 0.00 H new ATOM 0 HA ALA A 85 1.669 1.989 -42.501 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.752 2.148 -43.849 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.061 3.760 -43.549 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.469 3.206 -42.611 1.00 0.00 H new ATOM 1294 N ALA A 86 4.213 1.333 -40.472 1.00 0.00 N ATOM 1295 CA ALA A 86 4.947 0.267 -39.814 1.00 0.00 C ATOM 1296 C ALA A 86 4.046 -0.568 -38.901 1.00 0.00 C ATOM 1297 O ALA A 86 4.342 -1.741 -38.666 1.00 0.00 O ATOM 1298 CB ALA A 86 6.098 0.874 -39.018 1.00 0.00 C ATOM 0 H ALA A 86 4.474 2.270 -40.166 1.00 0.00 H new ATOM 0 HA ALA A 86 5.337 -0.406 -40.577 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.655 0.080 -38.520 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.762 1.415 -39.693 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.701 1.562 -38.271 1.00 0.00 H new ATOM 1304 N ILE A 87 2.951 0.003 -38.384 1.00 0.00 N ATOM 1305 CA ILE A 87 2.007 -0.784 -37.597 1.00 0.00 C ATOM 1306 C ILE A 87 1.357 -1.823 -38.502 1.00 0.00 C ATOM 1307 O ILE A 87 1.352 -3.009 -38.181 1.00 0.00 O ATOM 1308 CB ILE A 87 0.934 0.102 -36.954 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.576 1.048 -35.938 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.122 -0.783 -36.272 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.535 1.861 -35.160 1.00 0.00 C ATOM 0 H ILE A 87 2.704 0.986 -38.495 1.00 0.00 H new ATOM 0 HA ILE A 87 2.550 -1.276 -36.790 1.00 0.00 H new ATOM 0 HB ILE A 87 0.449 0.701 -37.725 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.179 0.470 -35.238 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.252 1.728 -36.455 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.885 -0.153 -35.815 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.586 -1.434 -37.014 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.355 -1.391 -35.503 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.041 2.517 -34.452 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.052 2.461 -35.855 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.126 1.183 -34.619 1.00 0.00 H new ATOM 1323 N GLN A 88 0.813 -1.380 -39.636 1.00 0.00 N ATOM 1324 CA GLN A 88 0.158 -2.280 -40.574 1.00 0.00 C ATOM 1325 C GLN A 88 1.159 -3.218 -41.249 1.00 0.00 C ATOM 1326 O GLN A 88 0.756 -4.171 -41.913 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.588 -1.453 -41.626 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.661 -0.560 -40.995 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.683 -1.354 -40.188 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -3.068 -0.944 -39.095 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.134 -2.494 -40.707 1.00 0.00 N ATOM 0 H GLN A 88 0.815 -0.401 -39.924 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.547 -2.901 -40.022 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.124 -0.834 -42.173 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.052 -2.122 -42.351 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.183 0.174 -40.347 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.175 -0.005 -41.780 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.796 -2.809 -41.616 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.817 -3.052 -40.195 1.00 0.00 H new ATOM 1340 N ALA A 89 2.462 -2.960 -41.084 1.00 0.00 N ATOM 1341 CA ALA A 89 3.509 -3.766 -41.688 1.00 0.00 C ATOM 1342 C ALA A 89 3.988 -4.892 -40.764 1.00 0.00 C ATOM 1343 O ALA A 89 4.449 -5.922 -41.258 1.00 0.00 O ATOM 1344 CB ALA A 89 4.675 -2.844 -42.025 1.00 0.00 C ATOM 0 H ALA A 89 2.812 -2.182 -40.525 1.00 0.00 H new ATOM 0 HA ALA A 89 3.109 -4.243 -42.583 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.477 -3.424 -42.481 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.341 -2.075 -42.722 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.041 -2.372 -41.113 1.00 0.00 H new ATOM 1350 N MET A 90 3.891 -4.710 -39.441 1.00 0.00 N ATOM 1351 CA MET A 90 4.397 -5.696 -38.486 1.00 0.00 C ATOM 1352 C MET A 90 3.323 -6.251 -37.557 1.00 0.00 C ATOM 1353 O MET A 90 3.524 -7.306 -36.957 1.00 0.00 O ATOM 1354 CB MET A 90 5.554 -5.091 -37.691 1.00 0.00 C ATOM 1355 CG MET A 90 6.795 -4.929 -38.575 1.00 0.00 C ATOM 1356 SD MET A 90 7.474 -6.471 -39.248 1.00 0.00 S ATOM 1357 CE MET A 90 7.898 -7.341 -37.718 1.00 0.00 C ATOM 0 H MET A 90 3.466 -3.888 -39.011 1.00 0.00 H new ATOM 0 HA MET A 90 4.752 -6.550 -39.063 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.258 -4.121 -37.290 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.789 -5.729 -36.839 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.546 -4.268 -39.405 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.572 -4.432 -37.994 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.426 -8.264 -37.959 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.537 -6.707 -37.104 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.986 -7.577 -37.169 1.00 0.00 H new ATOM 1367 N ASN A 91 2.182 -5.569 -37.420 1.00 0.00 N ATOM 1368 CA ASN A 91 1.082 -6.093 -36.629 1.00 0.00 C ATOM 1369 C ASN A 91 0.541 -7.344 -37.322 1.00 0.00 C ATOM 1370 O ASN A 91 0.316 -7.338 -38.530 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.006 -5.023 -36.500 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.052 -5.380 -35.456 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -0.882 -6.310 -34.672 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.155 -4.637 -35.437 1.00 0.00 N ATOM 0 H ASN A 91 2.003 -4.660 -37.846 1.00 0.00 H new ATOM 0 HA ASN A 91 1.419 -6.358 -35.627 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.455 -4.071 -36.237 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.493 -4.886 -37.466 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.890 -4.833 -34.758 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.266 -3.871 -36.102 1.00 0.00 H new ATOM 1381 N GLY A 92 0.328 -8.415 -36.556 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.178 -9.669 -37.085 1.00 0.00 C ATOM 1383 C GLY A 92 0.901 -10.493 -37.790 1.00 0.00 C ATOM 1384 O GLY A 92 0.591 -11.554 -38.336 1.00 0.00 O ATOM 0 H GLY A 92 0.504 -8.431 -35.551 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.603 -10.256 -36.271 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.987 -9.462 -37.786 1.00 0.00 H new ATOM 1388 N PHE A 93 2.158 -10.033 -37.791 1.00 0.00 N ATOM 1389 CA PHE A 93 3.247 -10.759 -38.427 1.00 0.00 C ATOM 1390 C PHE A 93 3.484 -12.093 -37.720 1.00 0.00 C ATOM 1391 O PHE A 93 3.828 -12.108 -36.541 1.00 0.00 O ATOM 1392 CB PHE A 93 4.508 -9.889 -38.433 1.00 0.00 C ATOM 1393 CG PHE A 93 5.748 -10.561 -38.989 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.538 -11.390 -38.180 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.110 -10.336 -40.328 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.687 -11.993 -38.710 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.259 -10.940 -40.850 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.050 -11.770 -40.047 1.00 0.00 C ATOM 0 H PHE A 93 2.440 -9.156 -37.354 1.00 0.00 H new ATOM 0 HA PHE A 93 2.982 -10.983 -39.460 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.308 -8.990 -39.016 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.714 -9.568 -37.412 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.262 -11.564 -37.150 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.503 -9.698 -40.953 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.295 -12.632 -38.087 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.537 -10.765 -41.879 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.935 -12.236 -40.454 1.00 0.00 H new ATOM 1408 N GLN A 94 3.304 -13.216 -38.423 1.00 0.00 N ATOM 1409 CA GLN A 94 3.443 -14.517 -37.782 1.00 0.00 C ATOM 1410 C GLN A 94 4.909 -14.860 -37.549 1.00 0.00 C ATOM 1411 O GLN A 94 5.732 -14.769 -38.458 1.00 0.00 O ATOM 1412 CB GLN A 94 2.746 -15.605 -38.603 1.00 0.00 C ATOM 1413 CG GLN A 94 2.933 -16.956 -37.900 1.00 0.00 C ATOM 1414 CD GLN A 94 2.095 -18.069 -38.517 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.378 -17.865 -39.496 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.180 -19.265 -37.942 1.00 0.00 N ATOM 0 H GLN A 94 3.067 -13.247 -39.415 1.00 0.00 H new ATOM 0 HA GLN A 94 2.956 -14.466 -36.808 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.685 -15.378 -38.706 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.163 -15.643 -39.609 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.985 -17.237 -37.939 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.670 -16.851 -36.847 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.784 -19.399 -37.131 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.641 -20.048 -38.312 1.00 0.00 H new ATOM 1425 N ILE A 95 5.222 -15.261 -36.314 1.00 0.00 N ATOM 1426 CA ILE A 95 6.545 -15.733 -35.943 1.00 0.00 C ATOM 1427 C ILE A 95 6.361 -16.814 -34.884 1.00 0.00 C ATOM 1428 O ILE A 95 5.723 -16.587 -33.858 1.00 0.00 O ATOM 1429 CB ILE A 95 7.397 -14.545 -35.484 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.860 -14.967 -35.339 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.887 -13.928 -34.178 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.766 -13.739 -35.245 1.00 0.00 C ATOM 0 H ILE A 95 4.555 -15.265 -35.543 1.00 0.00 H new ATOM 0 HA ILE A 95 7.084 -16.176 -36.780 1.00 0.00 H new ATOM 0 HB ILE A 95 7.317 -13.776 -36.252 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.980 -15.584 -34.448 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.154 -15.579 -36.192 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.526 -13.091 -33.897 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.865 -13.574 -34.317 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.906 -14.679 -33.389 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.803 -14.059 -35.142 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.659 -13.138 -36.148 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.482 -13.143 -34.377 1.00 0.00 H new ATOM 1444 N GLY A 96 6.915 -18.006 -35.119 1.00 0.00 N ATOM 1445 CA GLY A 96 6.687 -19.118 -34.212 1.00 0.00 C ATOM 1446 C GLY A 96 5.198 -19.476 -34.177 1.00 0.00 C ATOM 1447 O GLY A 96 4.515 -19.425 -35.198 1.00 0.00 O ATOM 0 H GLY A 96 7.514 -18.218 -35.917 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.269 -19.983 -34.532 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.029 -18.856 -33.211 1.00 0.00 H new ATOM 1451 N MET A 97 4.702 -19.839 -32.991 1.00 0.00 N ATOM 1452 CA MET A 97 3.321 -20.265 -32.796 1.00 0.00 C ATOM 1453 C MET A 97 2.364 -19.097 -32.539 1.00 0.00 C ATOM 1454 O MET A 97 1.205 -19.324 -32.196 1.00 0.00 O ATOM 1455 CB MET A 97 3.268 -21.277 -31.649 1.00 0.00 C ATOM 1456 CG MET A 97 4.172 -22.467 -31.964 1.00 0.00 C ATOM 1457 SD MET A 97 4.249 -23.707 -30.650 1.00 0.00 S ATOM 1458 CE MET A 97 5.538 -24.761 -31.360 1.00 0.00 C ATOM 0 H MET A 97 5.256 -19.844 -32.134 1.00 0.00 H new ATOM 0 HA MET A 97 2.981 -20.730 -33.722 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.586 -20.804 -30.720 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.243 -21.617 -31.499 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.820 -22.944 -32.879 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.179 -22.101 -32.163 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.734 -25.597 -30.689 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.206 -25.141 -32.326 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.451 -24.180 -31.493 1.00 0.00 H new ATOM 1468 N LYS A 98 2.824 -17.851 -32.699 1.00 0.00 N ATOM 1469 CA LYS A 98 2.011 -16.663 -32.449 1.00 0.00 C ATOM 1470 C LYS A 98 2.278 -15.576 -33.488 1.00 0.00 C ATOM 1471 O LYS A 98 3.107 -15.748 -34.383 1.00 0.00 O ATOM 1472 CB LYS A 98 2.259 -16.130 -31.035 1.00 0.00 C ATOM 1473 CG LYS A 98 1.752 -17.095 -29.959 1.00 0.00 C ATOM 1474 CD LYS A 98 1.717 -16.415 -28.585 1.00 0.00 C ATOM 1475 CE LYS A 98 3.095 -15.920 -28.140 1.00 0.00 C ATOM 1476 NZ LYS A 98 4.054 -17.033 -28.001 1.00 0.00 N ATOM 0 H LYS A 98 3.774 -17.641 -33.006 1.00 0.00 H new ATOM 0 HA LYS A 98 0.963 -16.952 -32.533 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.326 -15.959 -30.894 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.764 -15.166 -30.919 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.754 -17.446 -30.221 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.398 -17.972 -29.918 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.025 -15.573 -28.618 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.331 -17.117 -27.846 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.475 -15.200 -28.865 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.004 -15.396 -27.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.939 -16.679 -27.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.650 -17.764 -27.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.250 -17.441 -28.937 1.00 0.00 H new ATOM 1490 N ARG A 99 1.574 -14.448 -33.367 1.00 0.00 N ATOM 1491 CA ARG A 99 1.739 -13.296 -34.241 1.00 0.00 C ATOM 1492 C ARG A 99 2.178 -12.083 -33.430 1.00 0.00 C ATOM 1493 O ARG A 99 1.727 -11.898 -32.298 1.00 0.00 O ATOM 1494 CB ARG A 99 0.433 -13.015 -34.989 1.00 0.00 C ATOM 1495 CG ARG A 99 0.045 -14.181 -35.899 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.260 -13.856 -36.621 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.624 -14.926 -37.558 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.328 -14.930 -38.864 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.640 -13.932 -39.412 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.725 -15.941 -39.625 1.00 0.00 N ATOM 0 H ARG A 99 0.864 -14.313 -32.647 1.00 0.00 H new ATOM 0 HA ARG A 99 2.514 -13.511 -34.977 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.366 -12.831 -34.271 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.541 -12.108 -35.584 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.837 -14.368 -36.624 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.070 -15.092 -35.311 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.059 -13.719 -35.892 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.156 -12.915 -37.161 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.140 -15.724 -37.187 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.330 -13.149 -38.836 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.422 -13.949 -40.408 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.253 -16.711 -39.215 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.502 -15.948 -40.620 1.00 0.00 H new ATOM 1514 N LEU A 100 3.052 -11.257 -34.005 1.00 0.00 N ATOM 1515 CA LEU A 100 3.536 -10.058 -33.342 1.00 0.00 C ATOM 1516 C LEU A 100 2.410 -9.053 -33.129 1.00 0.00 C ATOM 1517 O LEU A 100 1.658 -8.746 -34.055 1.00 0.00 O ATOM 1518 CB LEU A 100 4.657 -9.419 -34.166 1.00 0.00 C ATOM 1519 CG LEU A 100 5.892 -10.318 -34.275 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.954 -9.590 -35.093 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.465 -10.633 -32.897 1.00 0.00 C ATOM 0 H LEU A 100 3.439 -11.403 -34.937 1.00 0.00 H new ATOM 0 HA LEU A 100 3.924 -10.346 -32.365 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.286 -9.195 -35.166 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.942 -8.470 -33.712 1.00 0.00 H new ATOM 0 HG LEU A 100 5.602 -11.254 -34.753 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.841 -10.218 -35.180 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.563 -9.375 -36.088 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.218 -8.656 -34.597 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.341 -11.273 -33.005 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.752 -9.705 -32.402 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.712 -11.146 -32.299 1.00 0.00 H new ATOM 1533 N LYS A 101 2.301 -8.543 -31.899 1.00 0.00 N ATOM 1534 CA LYS A 101 1.389 -7.456 -31.577 1.00 0.00 C ATOM 1535 C LYS A 101 2.137 -6.138 -31.762 1.00 0.00 C ATOM 1536 O LYS A 101 3.282 -6.021 -31.328 1.00 0.00 O ATOM 1537 CB LYS A 101 0.876 -7.632 -30.147 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.074 -6.503 -29.731 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.317 -6.518 -28.219 1.00 0.00 C ATOM 1540 CE LYS A 101 -0.890 -7.840 -27.710 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.235 -8.097 -28.260 1.00 0.00 N ATOM 0 H LYS A 101 2.845 -8.876 -31.103 1.00 0.00 H new ATOM 0 HA LYS A 101 0.521 -7.457 -32.236 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.360 -8.588 -30.063 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.722 -7.665 -29.460 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.347 -5.542 -30.026 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.023 -6.610 -30.256 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.623 -6.316 -27.705 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.002 -5.710 -27.960 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.222 -8.656 -27.985 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.939 -7.821 -26.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.614 -8.976 -27.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.865 -7.305 -28.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.175 -8.191 -29.294 1.00 0.00 H new ATOM 1555 N VAL A 102 1.502 -5.149 -32.394 1.00 0.00 N ATOM 1556 CA VAL A 102 2.084 -3.822 -32.557 1.00 0.00 C ATOM 1557 C VAL A 102 1.019 -2.786 -32.225 1.00 0.00 C ATOM 1558 O VAL A 102 -0.140 -2.962 -32.597 1.00 0.00 O ATOM 1559 CB VAL A 102 2.635 -3.658 -33.979 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.193 -2.255 -34.214 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.741 -4.673 -34.256 1.00 0.00 C ATOM 0 H VAL A 102 0.574 -5.248 -32.805 1.00 0.00 H new ATOM 0 HA VAL A 102 2.925 -3.683 -31.878 1.00 0.00 H new ATOM 0 HB VAL A 102 1.798 -3.826 -34.657 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.573 -2.181 -35.233 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.402 -1.520 -34.067 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.002 -2.063 -33.510 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.115 -4.536 -35.271 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.555 -4.527 -33.546 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.344 -5.682 -34.149 1.00 0.00 H new ATOM 1571 N GLN A 103 1.392 -1.712 -31.526 1.00 0.00 N ATOM 1572 CA GLN A 103 0.417 -0.731 -31.073 1.00 0.00 C ATOM 1573 C GLN A 103 1.041 0.654 -30.939 1.00 0.00 C ATOM 1574 O GLN A 103 2.258 0.788 -30.850 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.142 -1.216 -29.729 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.319 -0.366 -29.242 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.109 -1.069 -28.139 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -1.476 -1.978 -27.401 1.00 0.00 O flip ATOM 1579 NE2 GLN A 103 -3.288 -0.786 -27.946 1.00 0.00 N flip ATOM 0 H GLN A 103 2.356 -1.505 -31.265 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.385 -0.639 -31.805 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.463 -2.253 -29.826 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.651 -1.196 -28.981 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.948 0.589 -28.871 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.981 -0.147 -30.080 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.746 -0.085 -28.528 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.809 -1.252 -27.203 1.00 0.00 H new ATOM 1588 N LEU A 104 0.204 1.697 -30.923 1.00 0.00 N ATOM 1589 CA LEU A 104 0.651 3.064 -30.709 1.00 0.00 C ATOM 1590 C LEU A 104 1.005 3.261 -29.233 1.00 0.00 C ATOM 1591 O LEU A 104 0.412 2.625 -28.360 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.473 4.018 -31.133 1.00 0.00 C ATOM 1593 CG LEU A 104 0.024 5.165 -32.017 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.181 5.919 -32.569 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.881 6.155 -31.236 1.00 0.00 C ATOM 0 H LEU A 104 -0.803 1.609 -31.059 1.00 0.00 H new ATOM 0 HA LEU A 104 1.540 3.272 -31.304 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.237 3.456 -31.670 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.948 4.431 -30.243 1.00 0.00 H new ATOM 0 HG LEU A 104 0.629 4.733 -32.814 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.839 6.739 -33.201 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.797 5.239 -33.158 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.770 6.318 -31.743 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.213 6.953 -31.901 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.294 6.581 -30.422 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.750 5.640 -30.826 1.00 0.00 H new ATOM 1607 N LYS A 105 1.969 4.139 -28.943 1.00 0.00 N ATOM 1608 CA LYS A 105 2.339 4.479 -27.575 1.00 0.00 C ATOM 1609 C LYS A 105 1.156 5.132 -26.863 1.00 0.00 C ATOM 1610 O LYS A 105 0.322 5.776 -27.501 1.00 0.00 O ATOM 1611 CB LYS A 105 3.563 5.402 -27.613 1.00 0.00 C ATOM 1612 CG LYS A 105 3.965 5.876 -26.216 1.00 0.00 C ATOM 1613 CD LYS A 105 5.267 6.672 -26.291 1.00 0.00 C ATOM 1614 CE LYS A 105 5.646 7.197 -24.906 1.00 0.00 C ATOM 1615 NZ LYS A 105 4.650 8.161 -24.398 1.00 0.00 N ATOM 0 H LYS A 105 2.512 4.631 -29.652 1.00 0.00 H new ATOM 0 HA LYS A 105 2.599 3.581 -27.014 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.400 4.876 -28.072 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.346 6.266 -28.241 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.175 6.495 -25.791 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.090 5.019 -25.554 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.066 6.040 -26.680 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.153 7.505 -26.985 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.732 6.362 -24.211 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.625 7.675 -24.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.057 8.694 -23.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.386 8.820 -25.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.805 7.649 -24.074 1.00 0.00 H new ATOM 1629 N ARG A 106 1.078 4.975 -25.536 1.00 0.00 N ATOM 1630 CA ARG A 106 0.001 5.556 -24.740 1.00 0.00 C ATOM 1631 C ARG A 106 0.043 7.081 -24.799 1.00 0.00 C ATOM 1632 O ARG A 106 1.080 7.667 -25.104 1.00 0.00 O ATOM 1633 CB ARG A 106 0.083 5.055 -23.296 1.00 0.00 C ATOM 1634 CG ARG A 106 1.441 5.362 -22.665 1.00 0.00 C ATOM 1635 CD ARG A 106 1.390 5.129 -21.157 1.00 0.00 C ATOM 1636 NE ARG A 106 2.701 5.380 -20.545 1.00 0.00 N ATOM 1637 CZ ARG A 106 3.165 6.590 -20.217 1.00 0.00 C ATOM 1638 NH1 ARG A 106 2.436 7.681 -20.431 1.00 0.00 N ATOM 1639 NH2 ARG A 106 4.370 6.709 -19.672 1.00 0.00 N ATOM 0 H ARG A 106 1.757 4.444 -24.991 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.953 5.237 -25.159 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.706 5.520 -22.705 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.093 3.980 -23.274 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.208 4.730 -23.112 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.720 6.395 -22.871 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.643 5.784 -20.709 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.079 4.104 -20.953 1.00 0.00 H new ATOM 0 HE ARG A 106 3.299 4.575 -20.357 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.510 7.601 -20.851 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.803 8.598 -20.176 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.938 5.879 -19.505 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.727 7.631 -19.421 1.00 0.00 H new ATOM 1653 N SER A 107 -1.092 7.718 -24.506 1.00 0.00 N ATOM 1654 CA SER A 107 -1.219 9.167 -24.566 1.00 0.00 C ATOM 1655 C SER A 107 -0.326 9.849 -23.533 1.00 0.00 C ATOM 1656 O SER A 107 -0.029 9.282 -22.481 1.00 0.00 O ATOM 1657 CB SER A 107 -2.675 9.565 -24.328 1.00 0.00 C ATOM 1658 OG SER A 107 -2.821 10.970 -24.357 1.00 0.00 O ATOM 0 H SER A 107 -1.947 7.240 -24.221 1.00 0.00 H new ATOM 0 HA SER A 107 -0.901 9.493 -25.556 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.310 9.113 -25.090 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.010 9.180 -23.365 1.00 0.00 H new ATOM 0 HG SER A 107 -3.760 11.205 -24.204 1.00 0.00 H new ATOM 1664 N LYS A 108 0.102 11.078 -23.837 1.00 0.00 N ATOM 1665 CA LYS A 108 0.902 11.883 -22.925 1.00 0.00 C ATOM 1666 C LYS A 108 0.045 12.435 -21.787 1.00 0.00 C ATOM 1667 O LYS A 108 0.585 12.942 -20.803 1.00 0.00 O ATOM 1668 CB LYS A 108 1.612 13.014 -23.678 1.00 0.00 C ATOM 1669 CG LYS A 108 0.704 14.177 -24.089 1.00 0.00 C ATOM 1670 CD LYS A 108 -0.363 13.767 -25.108 1.00 0.00 C ATOM 1671 CE LYS A 108 -1.231 14.964 -25.485 1.00 0.00 C ATOM 1672 NZ LYS A 108 -0.445 16.040 -26.119 1.00 0.00 N ATOM 0 H LYS A 108 -0.100 11.538 -24.725 1.00 0.00 H new ATOM 0 HA LYS A 108 1.665 11.240 -22.486 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.415 13.402 -23.051 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.078 12.600 -24.573 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.216 14.582 -23.202 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.314 14.976 -24.510 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.115 13.361 -26.000 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.986 12.975 -24.692 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.018 14.641 -26.166 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.722 15.351 -24.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.089 16.721 -26.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.124 16.526 -25.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.185 15.632 -26.839 1.00 0.00 H new ATOM 1686 N ASN A 109 -1.282 12.337 -21.910 1.00 0.00 N ATOM 1687 CA ASN A 109 -2.197 12.812 -20.882 1.00 0.00 C ATOM 1688 C ASN A 109 -2.060 11.999 -19.594 1.00 0.00 C ATOM 1689 O ASN A 109 -2.539 12.420 -18.542 1.00 0.00 O ATOM 1690 CB ASN A 109 -3.632 12.736 -21.412 1.00 0.00 C ATOM 1691 CG ASN A 109 -3.864 13.658 -22.600 1.00 0.00 C ATOM 1692 OD1 ASN A 109 -3.060 14.541 -22.886 1.00 0.00 O ATOM 1693 ND2 ASN A 109 -4.970 13.462 -23.306 1.00 0.00 N ATOM 0 H ASN A 109 -1.745 11.928 -22.722 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.948 13.846 -20.643 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -3.854 11.710 -21.704 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.325 12.997 -20.613 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -5.172 14.053 -24.112 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -5.618 12.720 -23.043 1.00 0.00 H new ATOM 1700 N ASP A 110 -1.404 10.836 -19.669 1.00 0.00 N ATOM 1701 CA ASP A 110 -1.147 9.997 -18.510 1.00 0.00 C ATOM 1702 C ASP A 110 0.049 10.444 -17.673 1.00 0.00 C ATOM 1703 O ASP A 110 0.260 9.927 -16.576 1.00 0.00 O ATOM 1704 CB ASP A 110 -1.015 8.534 -18.942 1.00 0.00 C ATOM 1705 CG ASP A 110 -2.329 7.931 -19.449 1.00 0.00 C ATOM 1706 OD1 ASP A 110 -2.283 6.758 -19.886 1.00 0.00 O ATOM 1707 OD2 ASP A 110 -3.368 8.630 -19.401 1.00 0.00 O ATOM 0 H ASP A 110 -1.038 10.455 -20.542 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.008 10.103 -17.850 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -0.263 8.461 -19.727 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -0.654 7.945 -18.099 1.00 0.00 H new ATOM 1712 N SER A 111 0.835 11.402 -18.181 1.00 0.00 N ATOM 1713 CA SER A 111 2.026 11.881 -17.491 1.00 0.00 C ATOM 1714 C SER A 111 2.015 13.397 -17.309 1.00 0.00 C ATOM 1715 O SER A 111 2.563 13.900 -16.330 1.00 0.00 O ATOM 1716 CB SER A 111 3.265 11.454 -18.283 1.00 0.00 C ATOM 1717 OG SER A 111 3.307 12.124 -19.527 1.00 0.00 O ATOM 0 H SER A 111 0.660 11.860 -19.075 1.00 0.00 H new ATOM 0 HA SER A 111 2.043 11.440 -16.494 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.166 11.678 -17.711 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.249 10.376 -18.443 1.00 0.00 H new ATOM 0 HG SER A 111 2.393 12.296 -19.837 1.00 0.00 H new ATOM 1723 N LYS A 112 1.399 14.127 -18.242 1.00 0.00 N ATOM 1724 CA LYS A 112 1.370 15.586 -18.234 1.00 0.00 C ATOM 1725 C LYS A 112 -0.010 16.108 -18.627 1.00 0.00 C ATOM 1726 O LYS A 112 -0.779 15.394 -19.268 1.00 0.00 O ATOM 1727 CB LYS A 112 2.449 16.114 -19.184 1.00 0.00 C ATOM 1728 CG LYS A 112 3.849 15.744 -18.693 1.00 0.00 C ATOM 1729 CD LYS A 112 4.921 16.248 -19.659 1.00 0.00 C ATOM 1730 CE LYS A 112 4.775 15.627 -21.052 1.00 0.00 C ATOM 1731 NZ LYS A 112 4.907 14.155 -21.006 1.00 0.00 N ATOM 0 H LYS A 112 0.902 13.714 -19.031 1.00 0.00 H new ATOM 0 HA LYS A 112 1.575 15.944 -17.225 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.291 15.704 -20.182 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.365 17.198 -19.267 1.00 0.00 H new ATOM 0 HG2 LYS A 112 4.016 16.171 -17.704 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.928 14.662 -18.590 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.857 17.333 -19.737 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.908 16.015 -19.259 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.804 15.893 -21.470 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.533 16.041 -21.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.905 13.776 -21.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.800 13.901 -20.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.109 13.751 -20.475 1.00 0.00 H new ATOM 1745 N PRO A 113 -0.340 17.353 -18.256 1.00 0.00 N ATOM 1746 CA PRO A 113 -1.581 18.007 -18.633 1.00 0.00 C ATOM 1747 C PRO A 113 -1.488 18.563 -20.059 1.00 0.00 C ATOM 1748 O PRO A 113 -2.414 19.229 -20.521 1.00 0.00 O ATOM 1749 CB PRO A 113 -1.749 19.130 -17.610 1.00 0.00 C ATOM 1750 CG PRO A 113 -0.301 19.554 -17.356 1.00 0.00 C ATOM 1751 CD PRO A 113 0.470 18.238 -17.434 1.00 0.00 C ATOM 0 HA PRO A 113 -2.431 17.324 -18.632 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -2.351 19.950 -18.001 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -2.237 18.782 -16.700 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.046 20.268 -18.103 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -0.186 20.030 -16.382 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.456 18.388 -17.875 1.00 0.00 H new ATOM 0 HD3 PRO A 113 0.625 17.816 -16.441 1.00 0.00 H new ATOM 1759 N TRP A 114 -0.376 18.296 -20.756 1.00 0.00 N ATOM 1760 CA TRP A 114 -0.125 18.799 -22.097 1.00 0.00 C ATOM 1761 C TRP A 114 0.645 17.763 -22.910 1.00 0.00 C ATOM 1762 O TRP A 114 0.455 17.754 -24.146 1.00 0.00 O ATOM 1763 CB TRP A 114 0.660 20.109 -22.010 1.00 0.00 C ATOM 1764 CG TRP A 114 2.054 19.999 -21.478 1.00 0.00 C ATOM 1765 CD1 TRP A 114 2.403 20.143 -20.183 1.00 0.00 C ATOM 1766 CD2 TRP A 114 3.288 19.662 -22.180 1.00 0.00 C ATOM 1767 NE1 TRP A 114 3.763 19.952 -20.039 1.00 0.00 N ATOM 1768 CE2 TRP A 114 4.362 19.650 -21.246 1.00 0.00 C ATOM 1769 CE3 TRP A 114 3.613 19.374 -23.518 1.00 0.00 C ATOM 1770 CZ2 TRP A 114 5.684 19.369 -21.616 1.00 0.00 C ATOM 1771 CZ3 TRP A 114 4.935 19.095 -23.907 1.00 0.00 C ATOM 1772 CH2 TRP A 114 5.967 19.091 -22.961 1.00 0.00 C ATOM 0 H TRP A 114 0.380 17.716 -20.392 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.074 18.988 -22.598 1.00 0.00 H new ATOM 0 HB2 TRP A 114 0.705 20.550 -23.006 1.00 0.00 H new ATOM 0 HB3 TRP A 114 0.104 20.802 -21.379 1.00 0.00 H new ATOM 0 HD1 TRP A 114 1.720 20.373 -19.378 1.00 0.00 H new ATOM 0 HE1 TRP A 114 4.262 20.025 -19.153 1.00 0.00 H new ATOM 0 HE3 TRP A 114 2.830 19.367 -24.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 6.472 19.367 -20.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.156 18.882 -24.943 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.980 18.874 -23.267 1.00 0.00 H new TER 1783 TRP A 114 ATOM 1784 O5' U B 115 0.277 -11.152 -21.402 1.00 0.00 O ATOM 1785 C5' U B 115 1.582 -11.674 -21.568 1.00 0.00 C ATOM 1786 C4' U B 115 2.060 -11.546 -23.016 1.00 0.00 C ATOM 1787 O4' U B 115 1.298 -12.398 -23.858 1.00 0.00 O ATOM 1788 C3' U B 115 1.918 -10.120 -23.544 1.00 0.00 C ATOM 1789 O3' U B 115 2.894 -9.860 -24.532 1.00 0.00 O ATOM 1790 C2' U B 115 0.541 -10.169 -24.194 1.00 0.00 C ATOM 1791 O2' U B 115 0.440 -9.236 -25.251 1.00 0.00 O ATOM 1792 C1' U B 115 0.457 -11.612 -24.686 1.00 0.00 C ATOM 1793 N1 U B 115 -0.935 -12.119 -24.680 1.00 0.00 N ATOM 1794 C2 U B 115 -1.771 -11.740 -25.724 1.00 0.00 C ATOM 1795 O2 U B 115 -1.411 -10.990 -26.630 1.00 0.00 O ATOM 1796 N3 U B 115 -3.058 -12.253 -25.703 1.00 0.00 N ATOM 1797 C4 U B 115 -3.577 -13.097 -24.735 1.00 0.00 C ATOM 1798 O4 U B 115 -4.737 -13.494 -24.813 1.00 0.00 O ATOM 1799 C5 U B 115 -2.644 -13.431 -23.684 1.00 0.00 C ATOM 1800 C6 U B 115 -1.386 -12.939 -23.679 1.00 0.00 C ATOM 0 H5' U B 115 1.595 -12.723 -21.271 1.00 0.00 H new ATOM 0 H5'' U B 115 2.272 -11.147 -20.909 1.00 0.00 H new ATOM 0 H4' U B 115 3.114 -11.826 -23.024 1.00 0.00 H new ATOM 0 H3' U B 115 2.036 -9.353 -22.779 1.00 0.00 H new ATOM 0 H2' U B 115 -0.274 -9.904 -23.520 1.00 0.00 H new ATOM 0 HO2' U B 115 0.961 -9.553 -26.018 1.00 0.00 H new ATOM 0 HO5' U B 115 -0.335 -11.596 -22.026 1.00 0.00 H new ATOM 0 H1' U B 115 0.789 -11.667 -25.723 1.00 0.00 H new ATOM 0 H3 U B 115 -3.678 -11.986 -26.468 1.00 0.00 H new ATOM 0 H5 U B 115 -2.959 -14.087 -22.886 1.00 0.00 H new ATOM 0 H6 U B 115 -0.721 -13.198 -22.868 1.00 0.00 H new ATOM 1811 P U B 116 4.445 -9.594 -24.170 1.00 0.00 P ATOM 1812 OP1 U B 116 5.229 -9.812 -25.409 1.00 0.00 O ATOM 1813 OP2 U B 116 4.796 -10.352 -22.948 1.00 0.00 O ATOM 1814 O5' U B 116 4.507 -8.023 -23.819 1.00 0.00 O ATOM 1815 C5' U B 116 4.214 -7.545 -22.519 1.00 0.00 C ATOM 1816 C4' U B 116 4.545 -6.053 -22.454 1.00 0.00 C ATOM 1817 O4' U B 116 3.572 -5.301 -23.157 1.00 0.00 O ATOM 1818 C3' U B 116 4.547 -5.538 -21.019 1.00 0.00 C ATOM 1819 O3' U B 116 5.445 -4.445 -20.979 1.00 0.00 O ATOM 1820 C2' U B 116 3.086 -5.129 -20.844 1.00 0.00 C ATOM 1821 O2' U B 116 2.891 -4.107 -19.893 1.00 0.00 O ATOM 1822 C1' U B 116 2.691 -4.670 -22.240 1.00 0.00 C ATOM 1823 N1 U B 116 1.281 -5.034 -22.497 1.00 0.00 N ATOM 1824 C2 U B 116 0.293 -4.123 -22.143 1.00 0.00 C ATOM 1825 O2 U B 116 0.550 -3.031 -21.640 1.00 0.00 O ATOM 1826 N3 U B 116 -1.012 -4.506 -22.387 1.00 0.00 N ATOM 1827 C4 U B 116 -1.415 -5.715 -22.933 1.00 0.00 C ATOM 1828 O4 U B 116 -2.606 -5.963 -23.103 1.00 0.00 O ATOM 1829 C5 U B 116 -0.324 -6.603 -23.263 1.00 0.00 C ATOM 1830 C6 U B 116 0.961 -6.243 -23.049 1.00 0.00 C ATOM 0 H5' U B 116 4.794 -8.093 -21.776 1.00 0.00 H new ATOM 0 H5'' U B 116 3.162 -7.708 -22.285 1.00 0.00 H new ATOM 0 H4' U B 116 5.535 -5.936 -22.896 1.00 0.00 H new ATOM 0 H3' U B 116 4.864 -6.227 -20.236 1.00 0.00 H new ATOM 0 H2' U B 116 2.482 -5.950 -20.458 1.00 0.00 H new ATOM 0 HO2' U B 116 3.582 -4.169 -19.200 1.00 0.00 H new ATOM 0 H1' U B 116 2.771 -3.588 -22.346 1.00 0.00 H new ATOM 0 H3 U B 116 -1.745 -3.839 -22.144 1.00 0.00 H new ATOM 0 H5 U B 116 -0.539 -7.572 -23.688 1.00 0.00 H new ATOM 0 H6 U B 116 1.753 -6.926 -23.320 1.00 0.00 H new ATOM 1841 P U B 117 6.064 -3.877 -19.603 1.00 0.00 P ATOM 1842 OP1 U B 117 7.421 -4.443 -19.421 1.00 0.00 O ATOM 1843 OP2 U B 117 5.067 -4.015 -18.517 1.00 0.00 O ATOM 1844 O5' U B 117 6.208 -2.318 -19.983 1.00 0.00 O ATOM 1845 C5' U B 117 5.078 -1.471 -19.997 1.00 0.00 C ATOM 1846 C4' U B 117 5.444 -0.138 -20.651 1.00 0.00 C ATOM 1847 O4' U B 117 4.870 -0.070 -21.947 1.00 0.00 O ATOM 1848 C3' U B 117 4.867 1.022 -19.848 1.00 0.00 C ATOM 1849 O3' U B 117 5.655 2.179 -20.069 1.00 0.00 O ATOM 1850 C2' U B 117 3.517 1.190 -20.529 1.00 0.00 C ATOM 1851 O2' U B 117 2.921 2.443 -20.264 1.00 0.00 O ATOM 1852 C1' U B 117 3.968 1.026 -21.973 1.00 0.00 C ATOM 1853 N1 U B 117 2.836 0.788 -22.891 1.00 0.00 N ATOM 1854 C2 U B 117 2.581 1.735 -23.877 1.00 0.00 C ATOM 1855 O2 U B 117 3.257 2.754 -24.017 1.00 0.00 O ATOM 1856 N3 U B 117 1.512 1.476 -24.716 1.00 0.00 N ATOM 1857 C4 U B 117 0.675 0.379 -24.644 1.00 0.00 C ATOM 1858 O4 U B 117 -0.259 0.254 -25.429 1.00 0.00 O ATOM 1859 C5 U B 117 1.012 -0.549 -23.592 1.00 0.00 C ATOM 1860 C6 U B 117 2.057 -0.329 -22.761 1.00 0.00 C ATOM 0 H5' U B 117 4.724 -1.303 -18.980 1.00 0.00 H new ATOM 0 H5'' U B 117 4.263 -1.944 -20.544 1.00 0.00 H new ATOM 0 H4' U B 117 6.531 -0.071 -20.695 1.00 0.00 H new ATOM 0 H3' U B 117 4.822 0.864 -18.770 1.00 0.00 H new ATOM 0 H2' U B 117 2.734 0.503 -20.207 1.00 0.00 H new ATOM 0 HO2' U B 117 3.286 2.809 -19.431 1.00 0.00 H new ATOM 0 H1' U B 117 4.438 1.933 -22.353 1.00 0.00 H new ATOM 0 H3 U B 117 1.325 2.155 -25.453 1.00 0.00 H new ATOM 0 H5 U B 117 0.416 -1.441 -23.465 1.00 0.00 H new ATOM 0 H6 U B 117 2.279 -1.045 -21.984 1.00 0.00 H new ATOM 1871 P A B 118 6.172 3.106 -18.863 1.00 0.00 P ATOM 1872 OP1 A B 118 5.550 2.651 -17.598 1.00 0.00 O ATOM 1873 OP2 A B 118 6.018 4.515 -19.283 1.00 0.00 O ATOM 1874 O5' A B 118 7.743 2.759 -18.823 1.00 0.00 O ATOM 1875 C5' A B 118 8.201 1.528 -18.303 1.00 0.00 C ATOM 1876 C4' A B 118 9.710 1.386 -18.493 1.00 0.00 C ATOM 1877 O4' A B 118 10.007 1.150 -19.863 1.00 0.00 O ATOM 1878 C3' A B 118 10.450 2.645 -18.027 1.00 0.00 C ATOM 1879 O3' A B 118 11.611 2.346 -17.280 1.00 0.00 O ATOM 1880 C2' A B 118 10.823 3.333 -19.335 1.00 0.00 C ATOM 1881 O2' A B 118 12.130 3.878 -19.315 1.00 0.00 O ATOM 1882 C1' A B 118 10.686 2.263 -20.414 1.00 0.00 C ATOM 1883 N9 A B 118 9.958 2.854 -21.549 1.00 0.00 N ATOM 1884 C8 A B 118 8.623 2.831 -21.858 1.00 0.00 C ATOM 1885 N7 A B 118 8.317 3.527 -22.923 1.00 0.00 N ATOM 1886 C5 A B 118 9.543 4.034 -23.348 1.00 0.00 C ATOM 1887 C6 A B 118 9.931 4.870 -24.410 1.00 0.00 C ATOM 1888 N6 A B 118 9.073 5.378 -25.297 1.00 0.00 N ATOM 1889 N1 A B 118 11.232 5.170 -24.537 1.00 0.00 N ATOM 1890 C2 A B 118 12.101 4.659 -23.676 1.00 0.00 C ATOM 1891 N3 A B 118 11.870 3.871 -22.639 1.00 0.00 N ATOM 1892 C4 A B 118 10.549 3.602 -22.532 1.00 0.00 C ATOM 0 H5' A B 118 7.688 0.705 -18.801 1.00 0.00 H new ATOM 0 H5'' A B 118 7.956 1.462 -17.243 1.00 0.00 H new ATOM 0 H4' A B 118 10.044 0.542 -17.889 1.00 0.00 H new ATOM 0 H3' A B 118 9.838 3.255 -17.363 1.00 0.00 H new ATOM 0 H2' A B 118 10.169 4.186 -19.518 1.00 0.00 H new ATOM 0 HO2' A B 118 12.713 3.309 -18.771 1.00 0.00 H new ATOM 0 H1' A B 118 11.656 1.916 -20.771 1.00 0.00 H new ATOM 0 H8 A B 118 7.892 2.289 -21.277 1.00 0.00 H new ATOM 0 H61 A B 118 9.412 5.979 -26.048 1.00 0.00 H new ATOM 0 H62 A B 118 8.078 5.165 -25.224 1.00 0.00 H new ATOM 0 H2 A B 118 13.135 4.921 -23.844 1.00 0.00 H new ATOM 1904 P A B 119 11.520 1.796 -15.768 1.00 0.00 P ATOM 1905 OP1 A B 119 10.205 2.178 -15.207 1.00 0.00 O ATOM 1906 OP2 A B 119 12.760 2.193 -15.065 1.00 0.00 O ATOM 1907 O5' A B 119 11.544 0.205 -15.959 1.00 0.00 O ATOM 1908 C5' A B 119 12.702 -0.447 -16.430 1.00 0.00 C ATOM 1909 C4' A B 119 12.425 -1.051 -17.803 1.00 0.00 C ATOM 1910 O4' A B 119 12.389 -0.042 -18.801 1.00 0.00 O ATOM 1911 C3' A B 119 13.555 -2.002 -18.169 1.00 0.00 C ATOM 1912 O3' A B 119 13.031 -3.042 -18.966 1.00 0.00 O ATOM 1913 C2' A B 119 14.511 -1.129 -18.961 1.00 0.00 C ATOM 1914 O2' A B 119 15.190 -1.854 -19.966 1.00 0.00 O ATOM 1915 C1' A B 119 13.591 -0.066 -19.549 1.00 0.00 C ATOM 1916 N9 A B 119 14.280 1.234 -19.530 1.00 0.00 N ATOM 1917 C8 A B 119 14.460 2.102 -18.487 1.00 0.00 C ATOM 1918 N7 A B 119 15.161 3.162 -18.794 1.00 0.00 N ATOM 1919 C5 A B 119 15.448 2.979 -20.148 1.00 0.00 C ATOM 1920 C6 A B 119 16.162 3.733 -21.099 1.00 0.00 C ATOM 1921 N6 A B 119 16.761 4.893 -20.819 1.00 0.00 N ATOM 1922 N1 A B 119 16.250 3.259 -22.351 1.00 0.00 N ATOM 1923 C2 A B 119 15.665 2.106 -22.643 1.00 0.00 C ATOM 1924 N3 A B 119 14.978 1.302 -21.856 1.00 0.00 N ATOM 1925 C4 A B 119 14.901 1.810 -20.603 1.00 0.00 C ATOM 0 H5' A B 119 13.002 -1.228 -15.731 1.00 0.00 H new ATOM 0 H5'' A B 119 13.530 0.259 -16.492 1.00 0.00 H new ATOM 0 H4' A B 119 11.465 -1.565 -17.757 1.00 0.00 H new ATOM 0 H3' A B 119 14.044 -2.470 -17.314 1.00 0.00 H new ATOM 0 H2' A B 119 15.312 -0.714 -18.349 1.00 0.00 H new ATOM 0 HO2' A B 119 14.885 -2.785 -19.960 1.00 0.00 H new ATOM 0 HO3' A B 119 13.623 -3.821 -18.918 1.00 0.00 H new ATOM 0 H1' A B 119 13.342 -0.293 -20.586 1.00 0.00 H new ATOM 0 H8 A B 119 14.059 1.927 -17.500 1.00 0.00 H new ATOM 0 H61 A B 119 17.265 5.396 -21.549 1.00 0.00 H new ATOM 0 H62 A B 119 16.715 5.276 -19.875 1.00 0.00 H new ATOM 0 H2 A B 119 15.765 1.780 -23.668 1.00 0.00 H new TER 1937 A B 119