USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 778 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 94 LYS NZ :NH3+ 172:sc= 2.89 (180deg=1.92) USER MOD Set 1.2: A 96 SER OG : rot -128:sc= 0.848 USER MOD Set 2.1: A 81 ASN : amide:sc= -0.442 K(o=-0.1,f=-6.9!) USER MOD Set 2.2: A 82 THR OG1 : rot 58:sc= 0.338 USER MOD Set 3.1: A 22 THR OG1 : rot 85:sc= 1.15 USER MOD Set 3.2: A 69 ASN : amide:sc= 1.95 K(o=3.1,f=-5!) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.126 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.379 K(o=-0.38,f=-0.91) USER MOD Single : A 3 MET CE :methyl 149:sc= -0.149 (180deg=-1.81) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.362 K(o=-0.36,f=-1.2) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -0.341 K(o=-0.34,f=-2) USER MOD Single : A 11 MET CE :methyl -134:sc= 0 (180deg=-0.0876) USER MOD Single : A 15 CYS SG : rot 64:sc= -0.487 USER MOD Single : A 23 ASN : amide:sc= -0.0769 K(o=-0.077,f=-4.2!) USER MOD Single : A 27 ASN : amide:sc= 0.366 K(o=0.37,f=-3.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0883 F(o=-2,f=-0.088) USER MOD Single : A 32 ASN : amide:sc= 0.136 K(o=0.14,f=-4.5!) USER MOD Single : A 33 MET CE :methyl 161:sc= -3.42 (180deg=-4.63) USER MOD Single : A 34 THR OG1 : rot -169:sc= -1.72! USER MOD Single : A 35 GLN :FLIP amide:sc= -4.17! C(o=-6.2!,f=-4.2!) USER MOD Single : A 40 SER OG : rot 89:sc= 1.3 USER MOD Single : A 43 SER OG : rot -35:sc= 0.0449 USER MOD Single : A 44 SER OG : rot -76:sc= 1.2 USER MOD Single : A 50 SER OG : rot 108:sc= 0.808 USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -1.47 (180deg=-3.09!) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.04) USER MOD Single : A 61 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.025) USER MOD Single : A 62 SER OG : rot -171:sc= -0.805 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0772 USER MOD Single : A 70 TYR OH : rot 21:sc= -1.22 USER MOD Single : A 72 THR OG1 : rot -148:sc= 2.12 USER MOD Single : A 74 LYS NZ :NH3+ -151:sc= 1.26 (180deg=0.566) USER MOD Single : A 84 ASN : amide:sc= -1.53 K(o=-1.5,f=-4.2!) USER MOD Single : A 89 GLN :FLIP amide:sc= -2.27! C(o=-3.7!,f=-2.3!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 160:sc= 0.601 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.0355 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0125 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.363 13.033 -14.037 1.00 0.00 N ATOM 2 CA GLY A 1 10.145 11.990 -14.745 1.00 0.00 C ATOM 3 C GLY A 1 11.306 11.498 -13.913 1.00 0.00 C ATOM 4 O GLY A 1 11.486 11.946 -12.780 1.00 0.00 O ATOM 0 H1 GLY A 1 8.354 12.781 -14.052 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.688 13.101 -13.051 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.498 13.949 -14.510 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.493 11.152 -14.991 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.518 12.392 -15.687 1.00 0.00 H new ATOM 10 N HIS A 2 12.082 10.563 -14.465 1.00 0.00 N ATOM 11 CA HIS A 2 13.287 10.052 -13.805 1.00 0.00 C ATOM 12 C HIS A 2 12.929 9.358 -12.484 1.00 0.00 C ATOM 13 O HIS A 2 13.745 9.269 -11.571 1.00 0.00 O ATOM 14 CB HIS A 2 14.277 11.209 -13.574 1.00 0.00 C ATOM 15 CG HIS A 2 15.651 10.793 -13.131 1.00 0.00 C ATOM 16 ND1 HIS A 2 16.076 10.877 -11.824 1.00 0.00 N ATOM 17 CD2 HIS A 2 16.701 10.308 -13.832 1.00 0.00 C ATOM 18 CE1 HIS A 2 17.324 10.464 -11.740 1.00 0.00 C ATOM 19 NE2 HIS A 2 17.726 10.113 -12.944 1.00 0.00 N ATOM 0 H HIS A 2 11.896 10.141 -15.375 1.00 0.00 H new ATOM 0 HA HIS A 2 13.760 9.310 -14.448 1.00 0.00 H new ATOM 0 HB2 HIS A 2 14.367 11.779 -14.498 1.00 0.00 H new ATOM 0 HB3 HIS A 2 13.858 11.881 -12.825 1.00 0.00 H new ATOM 0 HD2 HIS A 2 16.727 10.111 -14.894 1.00 0.00 H new ATOM 0 HE1 HIS A 2 17.916 10.421 -10.838 1.00 0.00 H new ATOM 0 HE2 HIS A 2 18.652 9.754 -13.178 1.00 0.00 H new ATOM 28 N MET A 3 11.700 8.857 -12.391 1.00 0.00 N ATOM 29 CA MET A 3 11.239 8.203 -11.170 1.00 0.00 C ATOM 30 C MET A 3 10.028 7.322 -11.444 1.00 0.00 C ATOM 31 O MET A 3 9.929 6.214 -10.919 1.00 0.00 O ATOM 32 CB MET A 3 10.902 9.247 -10.095 1.00 0.00 C ATOM 33 CG MET A 3 10.356 8.657 -8.801 1.00 0.00 C ATOM 34 SD MET A 3 11.471 7.455 -8.044 1.00 0.00 S ATOM 35 CE MET A 3 12.934 8.453 -7.777 1.00 0.00 C ATOM 0 H MET A 3 11.010 8.891 -13.141 1.00 0.00 H new ATOM 0 HA MET A 3 12.047 7.569 -10.804 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.800 9.822 -9.869 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.170 9.946 -10.500 1.00 0.00 H new ATOM 0 HG2 MET A 3 10.166 9.464 -8.093 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.398 8.178 -9.003 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.462 8.095 -6.893 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.588 8.379 -8.646 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.643 9.493 -7.629 1.00 0.00 H new ATOM 45 N SER A 4 9.110 7.836 -12.269 1.00 0.00 N ATOM 46 CA SER A 4 7.889 7.122 -12.666 1.00 0.00 C ATOM 47 C SER A 4 6.869 7.091 -11.529 1.00 0.00 C ATOM 48 O SER A 4 5.692 7.389 -11.738 1.00 0.00 O ATOM 49 CB SER A 4 8.208 5.705 -13.154 1.00 0.00 C ATOM 50 OG SER A 4 9.162 5.736 -14.204 1.00 0.00 O ATOM 0 H SER A 4 9.192 8.764 -12.683 1.00 0.00 H new ATOM 0 HA SER A 4 7.445 7.670 -13.497 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.591 5.108 -12.326 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.295 5.221 -13.500 1.00 0.00 H new ATOM 0 HG SER A 4 9.353 4.821 -14.500 1.00 0.00 H new ATOM 56 N ASN A 5 7.322 6.742 -10.331 1.00 0.00 N ATOM 57 CA ASN A 5 6.471 6.773 -9.150 1.00 0.00 C ATOM 58 C ASN A 5 6.139 8.212 -8.782 1.00 0.00 C ATOM 59 O ASN A 5 6.946 8.906 -8.168 1.00 0.00 O ATOM 60 CB ASN A 5 7.158 6.072 -7.966 1.00 0.00 C ATOM 61 CG ASN A 5 6.399 6.231 -6.653 1.00 0.00 C ATOM 62 OD1 ASN A 5 5.515 5.440 -6.327 1.00 0.00 O ATOM 63 ND2 ASN A 5 6.753 7.250 -5.878 1.00 0.00 N ATOM 0 H ASN A 5 8.278 6.433 -10.152 1.00 0.00 H new ATOM 0 HA ASN A 5 5.547 6.241 -9.378 1.00 0.00 H new ATOM 0 HB2 ASN A 5 7.263 5.011 -8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.164 6.474 -7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.288 7.395 -4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.490 7.887 -6.179 1.00 0.00 H new ATOM 70 N GLY A 6 4.963 8.661 -9.186 1.00 0.00 N ATOM 71 CA GLY A 6 4.505 9.983 -8.819 1.00 0.00 C ATOM 72 C GLY A 6 3.610 9.934 -7.604 1.00 0.00 C ATOM 73 O GLY A 6 2.535 10.533 -7.580 1.00 0.00 O ATOM 0 H GLY A 6 4.313 8.130 -9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.363 10.624 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.964 10.428 -9.654 1.00 0.00 H new ATOM 77 N TYR A 7 4.050 9.202 -6.592 1.00 0.00 N ATOM 78 CA TYR A 7 3.250 8.995 -5.396 1.00 0.00 C ATOM 79 C TYR A 7 4.011 9.392 -4.140 1.00 0.00 C ATOM 80 O TYR A 7 3.542 9.149 -3.030 1.00 0.00 O ATOM 81 CB TYR A 7 2.827 7.531 -5.286 1.00 0.00 C ATOM 82 CG TYR A 7 1.984 7.043 -6.446 1.00 0.00 C ATOM 83 CD1 TYR A 7 2.545 6.276 -7.458 1.00 0.00 C ATOM 84 CD2 TYR A 7 0.627 7.340 -6.523 1.00 0.00 C ATOM 85 CE1 TYR A 7 1.781 5.817 -8.513 1.00 0.00 C ATOM 86 CE2 TYR A 7 -0.143 6.885 -7.575 1.00 0.00 C ATOM 87 CZ TYR A 7 0.439 6.125 -8.566 1.00 0.00 C ATOM 88 OH TYR A 7 -0.326 5.662 -9.612 1.00 0.00 O ATOM 0 H TYR A 7 4.959 8.740 -6.576 1.00 0.00 H new ATOM 0 HA TYR A 7 2.367 9.628 -5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.720 6.910 -5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.267 7.394 -4.361 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.597 6.034 -7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.169 7.936 -5.748 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.233 5.220 -9.292 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.195 7.123 -7.621 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.251 5.966 -9.500 1.00 0.00 H new ATOM 98 N GLU A 8 5.188 9.984 -4.324 1.00 0.00 N ATOM 99 CA GLU A 8 6.030 10.417 -3.209 1.00 0.00 C ATOM 100 C GLU A 8 6.397 9.235 -2.308 1.00 0.00 C ATOM 101 O GLU A 8 6.373 8.077 -2.743 1.00 0.00 O ATOM 102 CB GLU A 8 5.345 11.539 -2.404 1.00 0.00 C ATOM 103 CG GLU A 8 5.326 12.898 -3.101 1.00 0.00 C ATOM 104 CD GLU A 8 4.656 12.884 -4.463 1.00 0.00 C ATOM 105 OE1 GLU A 8 3.408 12.935 -4.523 1.00 0.00 O ATOM 106 OE2 GLU A 8 5.377 12.837 -5.480 1.00 0.00 O1- ATOM 0 H GLU A 8 5.585 10.177 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 8 6.955 10.820 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.319 11.240 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.853 11.644 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.812 13.616 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.351 13.251 -3.215 1.00 0.00 H new ATOM 113 N ASP A 9 6.806 9.553 -1.081 1.00 0.00 N ATOM 114 CA ASP A 9 7.197 8.561 -0.064 1.00 0.00 C ATOM 115 C ASP A 9 8.536 7.928 -0.393 1.00 0.00 C ATOM 116 O ASP A 9 9.031 7.086 0.351 1.00 0.00 O ATOM 117 CB ASP A 9 6.139 7.467 0.123 1.00 0.00 C ATOM 118 CG ASP A 9 4.893 7.974 0.812 1.00 0.00 C ATOM 119 OD1 ASP A 9 5.018 8.662 1.846 1.00 0.00 O ATOM 120 OD2 ASP A 9 3.785 7.683 0.327 1.00 0.00 O1- ATOM 0 H ASP A 9 6.878 10.517 -0.755 1.00 0.00 H new ATOM 0 HA ASP A 9 7.284 9.108 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.870 7.057 -0.850 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.565 6.651 0.706 1.00 0.00 H new ATOM 125 N HIS A 10 9.092 8.342 -1.523 1.00 0.00 N ATOM 126 CA HIS A 10 10.409 7.912 -1.978 1.00 0.00 C ATOM 127 C HIS A 10 10.640 8.428 -3.395 1.00 0.00 C ATOM 128 O HIS A 10 10.223 7.820 -4.377 1.00 0.00 O ATOM 129 CB HIS A 10 10.589 6.375 -1.882 1.00 0.00 C ATOM 130 CG HIS A 10 9.722 5.540 -2.783 1.00 0.00 C ATOM 131 ND1 HIS A 10 8.386 5.794 -3.029 1.00 0.00 N ATOM 132 CD2 HIS A 10 10.024 4.428 -3.485 1.00 0.00 C ATOM 133 CE1 HIS A 10 7.910 4.868 -3.844 1.00 0.00 C ATOM 134 NE2 HIS A 10 8.884 4.032 -4.134 1.00 0.00 N ATOM 0 H HIS A 10 8.635 8.995 -2.159 1.00 0.00 H new ATOM 0 HA HIS A 10 11.165 8.338 -1.318 1.00 0.00 H new ATOM 0 HB2 HIS A 10 11.631 6.140 -2.098 1.00 0.00 H new ATOM 0 HB3 HIS A 10 10.400 6.073 -0.852 1.00 0.00 H new ATOM 0 HD1 HIS A 10 7.852 6.572 -2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.987 3.940 -3.528 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.895 4.808 -4.209 1.00 0.00 H new ATOM 143 N MET A 11 11.252 9.600 -3.479 1.00 0.00 N ATOM 144 CA MET A 11 11.493 10.246 -4.762 1.00 0.00 C ATOM 145 C MET A 11 12.718 11.153 -4.715 1.00 0.00 C ATOM 146 O MET A 11 13.515 11.180 -5.652 1.00 0.00 O ATOM 147 CB MET A 11 10.258 11.038 -5.214 1.00 0.00 C ATOM 148 CG MET A 11 9.343 11.481 -4.079 1.00 0.00 C ATOM 149 SD MET A 11 10.116 12.649 -2.947 1.00 0.00 S ATOM 150 CE MET A 11 9.042 12.498 -1.527 1.00 0.00 C ATOM 0 H MET A 11 11.592 10.124 -2.673 1.00 0.00 H new ATOM 0 HA MET A 11 11.690 9.459 -5.490 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.588 11.920 -5.763 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.684 10.426 -5.909 1.00 0.00 H new ATOM 0 HG2 MET A 11 8.447 11.936 -4.502 1.00 0.00 H new ATOM 0 HG3 MET A 11 9.021 10.603 -3.519 1.00 0.00 H new ATOM 0 HE1 MET A 11 8.789 13.491 -1.155 1.00 0.00 H new ATOM 0 HE2 MET A 11 8.130 11.975 -1.815 1.00 0.00 H new ATOM 0 HE3 MET A 11 9.551 11.936 -0.744 1.00 0.00 H new ATOM 160 N ALA A 12 12.871 11.888 -3.624 1.00 0.00 N ATOM 161 CA ALA A 12 13.976 12.826 -3.483 1.00 0.00 C ATOM 162 C ALA A 12 15.218 12.137 -2.930 1.00 0.00 C ATOM 163 O ALA A 12 16.337 12.407 -3.366 1.00 0.00 O ATOM 164 CB ALA A 12 13.563 13.981 -2.585 1.00 0.00 C ATOM 0 H ALA A 12 12.243 11.853 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 12 14.225 13.214 -4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.394 14.679 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.709 14.496 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.290 13.598 -1.602 1.00 0.00 H new ATOM 170 N GLU A 13 15.008 11.246 -1.973 1.00 0.00 N ATOM 171 CA GLU A 13 16.096 10.526 -1.323 1.00 0.00 C ATOM 172 C GLU A 13 15.518 9.329 -0.592 1.00 0.00 C ATOM 173 O GLU A 13 15.823 9.082 0.576 1.00 0.00 O ATOM 174 CB GLU A 13 16.849 11.442 -0.350 1.00 0.00 C ATOM 175 CG GLU A 13 15.937 12.199 0.604 1.00 0.00 C ATOM 176 CD GLU A 13 16.699 12.953 1.672 1.00 0.00 C ATOM 177 OE1 GLU A 13 16.942 12.381 2.755 1.00 0.00 O ATOM 178 OE2 GLU A 13 17.057 14.126 1.438 1.00 0.00 O1- ATOM 0 H GLU A 13 14.081 11.001 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 13 16.809 10.187 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 13 17.551 10.843 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 13 17.438 12.159 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 13 15.327 12.901 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.253 11.496 1.080 1.00 0.00 H new ATOM 185 N ASP A 14 14.686 8.585 -1.311 1.00 0.00 N ATOM 186 CA ASP A 14 13.828 7.575 -0.711 1.00 0.00 C ATOM 187 C ASP A 14 12.955 8.221 0.356 1.00 0.00 C ATOM 188 O ASP A 14 12.118 9.053 0.025 1.00 0.00 O ATOM 189 CB ASP A 14 14.622 6.397 -0.129 1.00 0.00 C ATOM 190 CG ASP A 14 15.146 5.458 -1.198 1.00 0.00 C ATOM 191 OD1 ASP A 14 16.342 5.554 -1.554 1.00 0.00 O ATOM 192 OD2 ASP A 14 14.365 4.616 -1.690 1.00 0.00 O1- ATOM 0 H ASP A 14 14.588 8.666 -2.323 1.00 0.00 H new ATOM 0 HA ASP A 14 13.199 7.161 -1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.460 6.781 0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.985 5.839 0.558 1.00 0.00 H new ATOM 197 N CYS A 15 13.206 7.873 1.614 1.00 0.00 N ATOM 198 CA CYS A 15 12.426 8.337 2.766 1.00 0.00 C ATOM 199 C CYS A 15 12.689 7.398 3.928 1.00 0.00 C ATOM 200 O CYS A 15 13.686 6.675 3.920 1.00 0.00 O ATOM 201 CB CYS A 15 10.926 8.357 2.475 1.00 0.00 C ATOM 202 SG CYS A 15 10.267 9.975 1.991 1.00 0.00 S ATOM 0 H CYS A 15 13.971 7.249 1.871 1.00 0.00 H new ATOM 0 HA CYS A 15 12.732 9.357 2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.715 7.642 1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.393 8.014 3.362 1.00 0.00 H new ATOM 0 HG CYS A 15 10.811 10.348 0.871 1.00 0.00 H new ATOM 208 N ARG A 16 11.798 7.379 4.913 1.00 0.00 N ATOM 209 CA ARG A 16 11.841 6.352 5.942 1.00 0.00 C ATOM 210 C ARG A 16 11.279 5.059 5.372 1.00 0.00 C ATOM 211 O ARG A 16 10.383 4.439 5.941 1.00 0.00 O ATOM 212 CB ARG A 16 11.052 6.766 7.189 1.00 0.00 C ATOM 213 CG ARG A 16 11.705 7.880 7.994 1.00 0.00 C ATOM 214 CD ARG A 16 11.670 9.217 7.267 1.00 0.00 C ATOM 215 NE ARG A 16 10.309 9.732 7.120 1.00 0.00 N ATOM 216 CZ ARG A 16 9.926 10.962 7.480 1.00 0.00 C ATOM 217 NH1 ARG A 16 10.789 11.795 8.052 1.00 0.00 N1+ ATOM 218 NH2 ARG A 16 8.677 11.357 7.268 1.00 0.00 N ATOM 0 H ARG A 16 11.044 8.058 5.019 1.00 0.00 H new ATOM 0 HA ARG A 16 12.878 6.209 6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.056 7.087 6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.924 5.895 7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.197 7.978 8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.740 7.612 8.207 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.273 9.942 7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.122 9.104 6.282 1.00 0.00 H new ATOM 0 HE ARG A 16 9.606 9.113 6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.750 11.498 8.219 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.490 12.732 8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.009 10.723 6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.385 12.295 7.543 1.00 0.00 H new ATOM 232 N GLY A 17 11.815 4.664 4.232 1.00 0.00 N ATOM 233 CA GLY A 17 11.309 3.518 3.532 1.00 0.00 C ATOM 234 C GLY A 17 12.424 2.641 3.012 1.00 0.00 C ATOM 235 O GLY A 17 12.337 2.093 1.915 1.00 0.00 O ATOM 0 H GLY A 17 12.602 5.127 3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.671 2.938 4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.686 3.846 2.700 1.00 0.00 H new ATOM 239 N ASP A 18 13.477 2.504 3.801 1.00 0.00 N ATOM 240 CA ASP A 18 14.578 1.611 3.462 1.00 0.00 C ATOM 241 C ASP A 18 15.248 1.113 4.737 1.00 0.00 C ATOM 242 O ASP A 18 16.399 0.675 4.737 1.00 0.00 O ATOM 243 CB ASP A 18 15.587 2.321 2.556 1.00 0.00 C ATOM 244 CG ASP A 18 16.587 1.365 1.938 1.00 0.00 C ATOM 245 OD1 ASP A 18 16.182 0.537 1.097 1.00 0.00 O ATOM 246 OD2 ASP A 18 17.786 1.444 2.282 1.00 0.00 O1- ATOM 0 H ASP A 18 13.595 3.001 4.684 1.00 0.00 H new ATOM 0 HA ASP A 18 14.185 0.753 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.053 2.845 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.120 3.076 3.134 1.00 0.00 H new ATOM 251 N ILE A 19 14.503 1.179 5.829 1.00 0.00 N ATOM 252 CA ILE A 19 14.991 0.729 7.122 1.00 0.00 C ATOM 253 C ILE A 19 14.559 -0.710 7.364 1.00 0.00 C ATOM 254 O ILE A 19 15.343 -1.645 7.219 1.00 0.00 O ATOM 255 CB ILE A 19 14.481 1.620 8.272 1.00 0.00 C ATOM 256 CG1 ILE A 19 13.638 2.771 7.729 1.00 0.00 C ATOM 257 CG2 ILE A 19 15.653 2.160 9.069 1.00 0.00 C ATOM 258 CD1 ILE A 19 12.156 2.619 7.984 1.00 0.00 C ATOM 0 H ILE A 19 13.550 1.543 5.844 1.00 0.00 H new ATOM 0 HA ILE A 19 16.079 0.795 7.104 1.00 0.00 H new ATOM 0 HB ILE A 19 13.854 1.015 8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 19 13.980 3.703 8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 19 13.805 2.856 6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.283 2.788 9.879 1.00 0.00 H new ATOM 0 HG22 ILE A 19 16.224 1.330 9.485 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.296 2.751 8.416 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.626 3.476 7.569 1.00 0.00 H new ATOM 0 HD12 ILE A 19 11.797 1.705 7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 19 11.975 2.566 9.058 1.00 0.00 H new ATOM 270 N GLY A 20 13.292 -0.869 7.702 1.00 0.00 N ATOM 271 CA GLY A 20 12.686 -2.183 7.832 1.00 0.00 C ATOM 272 C GLY A 20 11.229 -2.109 7.459 1.00 0.00 C ATOM 273 O GLY A 20 10.367 -2.694 8.110 1.00 0.00 O ATOM 0 H GLY A 20 12.656 -0.095 7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.200 -2.897 7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.792 -2.543 8.855 1.00 0.00 H new ATOM 277 N ARG A 21 10.974 -1.357 6.403 1.00 0.00 N ATOM 278 CA ARG A 21 9.619 -1.029 5.979 1.00 0.00 C ATOM 279 C ARG A 21 8.854 -2.229 5.445 1.00 0.00 C ATOM 280 O ARG A 21 9.005 -2.622 4.289 1.00 0.00 O ATOM 281 CB ARG A 21 9.641 0.086 4.937 1.00 0.00 C ATOM 282 CG ARG A 21 10.933 0.179 4.140 1.00 0.00 C ATOM 283 CD ARG A 21 11.169 -1.015 3.224 1.00 0.00 C ATOM 284 NE ARG A 21 12.297 -0.790 2.314 1.00 0.00 N ATOM 285 CZ ARG A 21 12.807 -1.718 1.503 1.00 0.00 C ATOM 286 NH1 ARG A 21 12.262 -2.927 1.444 1.00 0.00 N1+ ATOM 287 NH2 ARG A 21 13.853 -1.429 0.736 1.00 0.00 N ATOM 0 H ARG A 21 11.701 -0.954 5.812 1.00 0.00 H new ATOM 0 HA ARG A 21 9.091 -0.689 6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.812 -0.064 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.469 1.038 5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.916 1.089 3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.771 0.268 4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.360 -1.903 3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.268 -1.211 2.644 1.00 0.00 H new ATOM 0 HE ARG A 21 12.720 0.138 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.450 -3.149 2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.655 -3.634 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.266 -0.497 0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.243 -2.139 0.116 1.00 0.00 H new ATOM 301 N THR A 22 8.030 -2.800 6.294 1.00 0.00 N ATOM 302 CA THR A 22 7.146 -3.871 5.888 1.00 0.00 C ATOM 303 C THR A 22 5.744 -3.317 5.670 1.00 0.00 C ATOM 304 O THR A 22 4.922 -3.912 4.974 1.00 0.00 O ATOM 305 CB THR A 22 7.112 -4.977 6.962 1.00 0.00 C ATOM 306 OG1 THR A 22 6.626 -4.440 8.202 1.00 0.00 O ATOM 307 CG2 THR A 22 8.499 -5.557 7.185 1.00 0.00 C ATOM 0 H THR A 22 7.953 -2.539 7.277 1.00 0.00 H new ATOM 0 HA THR A 22 7.516 -4.302 4.958 1.00 0.00 H new ATOM 0 HB THR A 22 6.448 -5.767 6.612 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.646 -4.451 8.201 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.450 -6.335 7.947 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.869 -5.984 6.253 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.175 -4.768 7.515 1.00 0.00 H new ATOM 315 N ASN A 23 5.494 -2.161 6.272 1.00 0.00 N ATOM 316 CA ASN A 23 4.187 -1.520 6.221 1.00 0.00 C ATOM 317 C ASN A 23 4.003 -0.810 4.896 1.00 0.00 C ATOM 318 O ASN A 23 4.878 -0.059 4.456 1.00 0.00 O ATOM 319 CB ASN A 23 4.063 -0.504 7.348 1.00 0.00 C ATOM 320 CG ASN A 23 2.622 -0.186 7.695 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.738 -0.192 6.841 1.00 0.00 O ATOM 322 ND2 ASN A 23 2.372 0.078 8.965 1.00 0.00 N ATOM 0 H ASN A 23 6.190 -1.643 6.808 1.00 0.00 H new ATOM 0 HA ASN A 23 3.421 -2.288 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.569 -0.887 8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.574 0.415 7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.419 0.286 9.265 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.131 0.074 9.646 1.00 0.00 H new ATOM 329 N LEU A 24 2.870 -1.030 4.269 1.00 0.00 N ATOM 330 CA LEU A 24 2.598 -0.433 2.983 1.00 0.00 C ATOM 331 C LEU A 24 1.293 0.337 3.007 1.00 0.00 C ATOM 332 O LEU A 24 0.214 -0.236 3.171 1.00 0.00 O ATOM 333 CB LEU A 24 2.552 -1.513 1.908 1.00 0.00 C ATOM 334 CG LEU A 24 3.556 -1.350 0.770 1.00 0.00 C ATOM 335 CD1 LEU A 24 4.962 -1.159 1.304 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.508 -2.560 -0.127 1.00 0.00 C ATOM 0 H LEU A 24 2.120 -1.620 4.631 1.00 0.00 H new ATOM 0 HA LEU A 24 3.401 0.268 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.720 -2.480 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.548 -1.536 1.483 1.00 0.00 H new ATOM 0 HG LEU A 24 3.286 -0.461 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.655 -1.046 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.996 -0.266 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.247 -2.028 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.226 -2.440 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.757 -3.451 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.506 -2.666 -0.542 1.00 0.00 H new ATOM 348 N ILE A 25 1.404 1.640 2.851 1.00 0.00 N ATOM 349 CA ILE A 25 0.247 2.486 2.721 1.00 0.00 C ATOM 350 C ILE A 25 -0.254 2.397 1.289 1.00 0.00 C ATOM 351 O ILE A 25 0.506 2.595 0.338 1.00 0.00 O ATOM 352 CB ILE A 25 0.549 3.958 3.094 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.759 4.740 3.155 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.544 4.592 2.127 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.590 6.228 3.341 1.00 0.00 C ATOM 0 H ILE A 25 2.295 2.135 2.812 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.516 2.139 3.418 1.00 0.00 H new ATOM 0 HB ILE A 25 1.020 3.984 4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.317 4.563 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.363 4.350 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.730 5.625 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.480 4.034 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.134 4.571 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.570 6.704 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.062 6.420 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.016 6.636 2.509 1.00 0.00 H new ATOM 367 N VAL A 26 -1.503 2.042 1.128 1.00 0.00 N ATOM 368 CA VAL A 26 -2.067 1.910 -0.195 1.00 0.00 C ATOM 369 C VAL A 26 -3.179 2.919 -0.378 1.00 0.00 C ATOM 370 O VAL A 26 -4.279 2.760 0.145 1.00 0.00 O ATOM 371 CB VAL A 26 -2.597 0.497 -0.449 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.909 0.311 -1.927 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.576 -0.520 0.014 1.00 0.00 C ATOM 0 H VAL A 26 -2.148 1.839 1.892 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.273 2.099 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.518 0.351 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.285 -0.698 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.664 1.035 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.002 0.462 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.956 -1.525 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.646 -0.378 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.390 -0.390 1.080 1.00 0.00 H new ATOM 383 N ASN A 27 -2.869 3.969 -1.104 1.00 0.00 N ATOM 384 CA ASN A 27 -3.803 5.051 -1.329 1.00 0.00 C ATOM 385 C ASN A 27 -4.568 4.801 -2.608 1.00 0.00 C ATOM 386 O ASN A 27 -4.322 3.810 -3.297 1.00 0.00 O ATOM 387 CB ASN A 27 -3.070 6.385 -1.441 1.00 0.00 C ATOM 388 CG ASN A 27 -3.807 7.514 -0.751 1.00 0.00 C ATOM 389 OD1 ASN A 27 -4.781 8.048 -1.276 1.00 0.00 O ATOM 390 ND2 ASN A 27 -3.310 7.911 0.407 1.00 0.00 N ATOM 0 H ASN A 27 -1.963 4.098 -1.555 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.489 5.094 -0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.075 6.286 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.935 6.634 -2.494 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.737 8.692 0.904 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.499 7.436 0.804 1.00 0.00 H new ATOM 397 N TYR A 28 -5.471 5.714 -2.919 1.00 0.00 N ATOM 398 CA TYR A 28 -6.281 5.647 -4.127 1.00 0.00 C ATOM 399 C TYR A 28 -6.971 4.289 -4.254 1.00 0.00 C ATOM 400 O TYR A 28 -7.064 3.728 -5.340 1.00 0.00 O ATOM 401 CB TYR A 28 -5.422 5.934 -5.359 1.00 0.00 C ATOM 402 CG TYR A 28 -4.690 7.258 -5.287 1.00 0.00 C ATOM 403 CD1 TYR A 28 -3.361 7.303 -4.903 1.00 0.00 C ATOM 404 CD2 TYR A 28 -5.326 8.455 -5.583 1.00 0.00 C ATOM 405 CE1 TYR A 28 -2.676 8.496 -4.812 1.00 0.00 C ATOM 406 CE2 TYR A 28 -4.649 9.659 -5.499 1.00 0.00 C ATOM 407 CZ TYR A 28 -3.324 9.674 -5.113 1.00 0.00 C ATOM 408 OH TYR A 28 -2.647 10.870 -5.024 1.00 0.00 O ATOM 0 H TYR A 28 -5.666 6.529 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.057 6.409 -4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.695 5.131 -5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.057 5.926 -6.245 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.848 6.382 -4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.363 8.447 -5.883 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.640 8.507 -4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.156 10.583 -5.735 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.247 11.605 -5.271 1.00 0.00 H new ATOM 418 N LEU A 29 -7.435 3.764 -3.127 1.00 0.00 N ATOM 419 CA LEU A 29 -8.215 2.534 -3.120 1.00 0.00 C ATOM 420 C LEU A 29 -9.626 2.830 -3.590 1.00 0.00 C ATOM 421 O LEU A 29 -10.150 3.918 -3.338 1.00 0.00 O ATOM 422 CB LEU A 29 -8.270 1.931 -1.716 1.00 0.00 C ATOM 423 CG LEU A 29 -6.937 1.443 -1.155 1.00 0.00 C ATOM 424 CD1 LEU A 29 -7.158 0.663 0.129 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.208 0.594 -2.181 1.00 0.00 C ATOM 0 H LEU A 29 -7.284 4.172 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.737 1.818 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.679 2.678 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.968 1.094 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.317 2.310 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.198 0.322 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.640 1.305 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.795 -0.198 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.260 0.254 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.821 -0.270 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.020 1.187 -3.076 1.00 0.00 H new ATOM 437 N PRO A 30 -10.255 1.878 -4.294 1.00 0.00 N ATOM 438 CA PRO A 30 -11.626 2.044 -4.742 1.00 0.00 C ATOM 439 C PRO A 30 -12.541 2.382 -3.570 1.00 0.00 C ATOM 440 O PRO A 30 -12.458 1.755 -2.509 1.00 0.00 O ATOM 441 CB PRO A 30 -12.017 0.690 -5.329 1.00 0.00 C ATOM 442 CG PRO A 30 -10.748 -0.058 -5.544 1.00 0.00 C ATOM 443 CD PRO A 30 -9.674 0.589 -4.707 1.00 0.00 C ATOM 0 HA PRO A 30 -11.718 2.856 -5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.677 0.149 -4.651 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.558 0.815 -6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.871 -1.104 -5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.471 -0.041 -6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.419 -0.026 -3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.757 0.732 -5.279 1.00 0.00 H new ATOM 451 N GLN A 31 -13.417 3.354 -3.769 1.00 0.00 N ATOM 452 CA GLN A 31 -14.276 3.858 -2.701 1.00 0.00 C ATOM 453 C GLN A 31 -15.241 2.786 -2.196 1.00 0.00 C ATOM 454 O GLN A 31 -15.899 2.964 -1.168 1.00 0.00 O ATOM 455 CB GLN A 31 -15.056 5.075 -3.191 1.00 0.00 C ATOM 456 CG GLN A 31 -14.167 6.228 -3.627 1.00 0.00 C ATOM 457 CD GLN A 31 -13.386 6.836 -2.479 1.00 0.00 C ATOM 458 OE1 GLN A 31 -12.185 6.331 -2.248 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.854 7.765 -1.815 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.555 3.816 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.636 4.146 -1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.689 4.778 -4.027 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.718 5.417 -2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.470 5.876 -4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.782 6.999 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.785 8.125 -2.027 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.310 8.173 -1.055 1.00 0.00 H new ATOM 468 N ASN A 32 -15.331 1.679 -2.922 1.00 0.00 N ATOM 469 CA ASN A 32 -16.222 0.590 -2.562 1.00 0.00 C ATOM 470 C ASN A 32 -15.459 -0.720 -2.339 1.00 0.00 C ATOM 471 O ASN A 32 -16.060 -1.791 -2.297 1.00 0.00 O ATOM 472 CB ASN A 32 -17.270 0.386 -3.660 1.00 0.00 C ATOM 473 CG ASN A 32 -16.664 -0.078 -4.975 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.525 0.257 -5.312 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.424 -0.851 -5.728 1.00 0.00 N ATOM 0 H ASN A 32 -14.791 1.514 -3.771 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.710 0.862 -1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.003 -0.348 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.806 1.321 -3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.075 -1.193 -6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.361 -1.106 -5.415 1.00 0.00 H new ATOM 482 N MET A 33 -14.138 -0.647 -2.208 1.00 0.00 N ATOM 483 CA MET A 33 -13.341 -1.855 -2.020 1.00 0.00 C ATOM 484 C MET A 33 -13.290 -2.242 -0.546 1.00 0.00 C ATOM 485 O MET A 33 -13.633 -1.438 0.320 1.00 0.00 O ATOM 486 CB MET A 33 -11.928 -1.655 -2.552 1.00 0.00 C ATOM 487 CG MET A 33 -11.393 -2.873 -3.280 1.00 0.00 C ATOM 488 SD MET A 33 -9.712 -2.658 -3.875 1.00 0.00 S ATOM 489 CE MET A 33 -8.876 -2.101 -2.394 1.00 0.00 C ATOM 0 H MET A 33 -13.603 0.221 -2.228 1.00 0.00 H new ATOM 0 HA MET A 33 -13.816 -2.662 -2.579 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.918 -0.800 -3.228 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.264 -1.413 -1.722 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.428 -3.733 -2.611 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.044 -3.099 -4.124 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.802 -2.248 -2.505 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.083 -1.043 -2.236 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.234 -2.673 -1.538 1.00 0.00 H new ATOM 499 N THR A 34 -12.858 -3.468 -0.268 1.00 0.00 N ATOM 500 CA THR A 34 -12.846 -3.993 1.093 1.00 0.00 C ATOM 501 C THR A 34 -11.424 -4.208 1.590 1.00 0.00 C ATOM 502 O THR A 34 -10.479 -4.172 0.797 1.00 0.00 O ATOM 503 CB THR A 34 -13.599 -5.339 1.168 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.831 -6.365 0.530 1.00 0.00 O ATOM 505 CG2 THR A 34 -14.947 -5.235 0.480 1.00 0.00 C ATOM 0 H THR A 34 -12.510 -4.120 -0.971 1.00 0.00 H new ATOM 0 HA THR A 34 -13.342 -3.255 1.723 1.00 0.00 H new ATOM 0 HB THR A 34 -13.749 -5.587 2.219 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.382 -7.169 0.426 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.463 -6.193 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.547 -4.467 0.969 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.802 -4.970 -0.567 1.00 0.00 H new ATOM 513 N GLN A 35 -11.272 -4.423 2.897 1.00 0.00 N ATOM 514 CA GLN A 35 -9.991 -4.849 3.448 1.00 0.00 C ATOM 515 C GLN A 35 -9.528 -6.090 2.725 1.00 0.00 C ATOM 516 O GLN A 35 -8.400 -6.167 2.285 1.00 0.00 O ATOM 517 CB GLN A 35 -10.068 -5.194 4.934 1.00 0.00 C ATOM 518 CG GLN A 35 -10.471 -4.057 5.850 1.00 0.00 C ATOM 519 CD GLN A 35 -11.944 -3.690 5.757 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.788 -4.658 5.422 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -12.321 -2.541 5.979 1.00 0.00 N flip ATOM 0 H GLN A 35 -12.015 -4.310 3.587 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.303 -4.013 3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.779 -6.010 5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.095 -5.566 5.253 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.238 -4.331 6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.871 -3.179 5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.644 -1.822 6.234 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.311 -2.306 5.908 1.00 0.00 H new ATOM 530 N ASP A 36 -10.436 -7.046 2.603 1.00 0.00 N ATOM 531 CA ASP A 36 -10.140 -8.337 1.994 1.00 0.00 C ATOM 532 C ASP A 36 -9.612 -8.175 0.578 1.00 0.00 C ATOM 533 O ASP A 36 -8.699 -8.879 0.177 1.00 0.00 O ATOM 534 CB ASP A 36 -11.399 -9.198 1.981 1.00 0.00 C ATOM 535 CG ASP A 36 -11.195 -10.525 1.276 1.00 0.00 C ATOM 536 OD1 ASP A 36 -10.476 -11.391 1.813 1.00 0.00 O ATOM 537 OD2 ASP A 36 -11.765 -10.712 0.185 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.400 -6.950 2.923 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.366 -8.823 2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.719 -9.382 3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.203 -8.650 1.490 1.00 0.00 H new ATOM 542 N GLU A 37 -10.175 -7.243 -0.178 1.00 0.00 N ATOM 543 CA GLU A 37 -9.700 -6.979 -1.530 1.00 0.00 C ATOM 544 C GLU A 37 -8.312 -6.360 -1.480 1.00 0.00 C ATOM 545 O GLU A 37 -7.393 -6.805 -2.169 1.00 0.00 O ATOM 546 CB GLU A 37 -10.658 -6.038 -2.250 1.00 0.00 C ATOM 547 CG GLU A 37 -12.068 -6.586 -2.398 1.00 0.00 C ATOM 548 CD GLU A 37 -12.126 -7.806 -3.291 1.00 0.00 C ATOM 549 OE1 GLU A 37 -11.582 -7.762 -4.411 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.725 -8.819 -2.878 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.957 -6.660 0.119 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.653 -7.922 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.701 -5.094 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.259 -5.818 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.460 -6.842 -1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.715 -5.810 -2.807 1.00 0.00 H new ATOM 557 N LEU A 38 -8.173 -5.347 -0.637 1.00 0.00 N ATOM 558 CA LEU A 38 -6.903 -4.677 -0.411 1.00 0.00 C ATOM 559 C LEU A 38 -5.868 -5.687 0.111 1.00 0.00 C ATOM 560 O LEU A 38 -4.688 -5.629 -0.214 1.00 0.00 O ATOM 561 CB LEU A 38 -7.156 -3.511 0.579 1.00 0.00 C ATOM 562 CG LEU A 38 -5.950 -2.663 0.998 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.257 -3.264 2.204 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.985 -2.509 -0.161 1.00 0.00 C ATOM 0 H LEU A 38 -8.943 -4.966 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.495 -4.266 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.896 -2.846 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.604 -3.927 1.481 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.308 -1.673 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.405 -2.643 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.956 -3.313 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.910 -4.269 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.134 -1.904 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.635 -3.492 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.491 -2.020 -0.993 1.00 0.00 H new ATOM 576 N ARG A 39 -6.351 -6.640 0.883 1.00 0.00 N ATOM 577 CA ARG A 39 -5.520 -7.652 1.508 1.00 0.00 C ATOM 578 C ARG A 39 -5.168 -8.766 0.510 1.00 0.00 C ATOM 579 O ARG A 39 -4.037 -9.236 0.481 1.00 0.00 O ATOM 580 CB ARG A 39 -6.277 -8.202 2.732 1.00 0.00 C ATOM 581 CG ARG A 39 -5.429 -8.909 3.778 1.00 0.00 C ATOM 582 CD ARG A 39 -4.969 -10.270 3.309 1.00 0.00 C ATOM 583 NE ARG A 39 -4.237 -10.995 4.350 1.00 0.00 N ATOM 584 CZ ARG A 39 -3.714 -12.209 4.184 1.00 0.00 C ATOM 585 NH1 ARG A 39 -3.893 -12.867 3.045 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.029 -12.780 5.166 1.00 0.00 N ATOM 0 H ARG A 39 -7.344 -6.735 1.097 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.575 -7.217 1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.798 -7.375 3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.039 -8.897 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.560 -8.295 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.004 -9.018 4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.834 -10.857 2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.332 -10.154 2.432 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.121 -10.543 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.433 -12.443 2.291 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.490 -13.796 2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.902 -12.290 6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.630 -13.710 5.036 1.00 0.00 H new ATOM 600 N SER A 40 -6.132 -9.167 -0.320 1.00 0.00 N ATOM 601 CA SER A 40 -5.930 -10.280 -1.253 1.00 0.00 C ATOM 602 C SER A 40 -5.057 -9.876 -2.437 1.00 0.00 C ATOM 603 O SER A 40 -4.270 -10.678 -2.939 1.00 0.00 O ATOM 604 CB SER A 40 -7.275 -10.810 -1.754 1.00 0.00 C ATOM 605 OG SER A 40 -8.072 -11.265 -0.674 1.00 0.00 O ATOM 0 H SER A 40 -7.057 -8.741 -0.367 1.00 0.00 H new ATOM 0 HA SER A 40 -5.412 -11.069 -0.708 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.802 -10.024 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.110 -11.625 -2.458 1.00 0.00 H new ATOM 0 HG SER A 40 -8.605 -10.521 -0.325 1.00 0.00 H new ATOM 611 N LEU A 41 -5.203 -8.637 -2.882 1.00 0.00 N ATOM 612 CA LEU A 41 -4.389 -8.108 -3.961 1.00 0.00 C ATOM 613 C LEU A 41 -2.936 -8.042 -3.534 1.00 0.00 C ATOM 614 O LEU A 41 -2.038 -8.288 -4.325 1.00 0.00 O ATOM 615 CB LEU A 41 -4.941 -6.734 -4.352 1.00 0.00 C ATOM 616 CG LEU A 41 -4.416 -6.116 -5.649 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.317 -5.115 -5.358 1.00 0.00 C ATOM 618 CD2 LEU A 41 -3.922 -7.190 -6.613 1.00 0.00 C ATOM 0 H LEU A 41 -5.884 -7.976 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.431 -8.761 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.025 -6.815 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.731 -6.041 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.243 -5.592 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.957 -4.687 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.708 -4.320 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.494 -5.616 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.555 -6.719 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.115 -7.755 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.742 -7.865 -6.857 1.00 0.00 H new ATOM 630 N PHE A 42 -2.704 -7.733 -2.280 1.00 0.00 N ATOM 631 CA PHE A 42 -1.359 -7.750 -1.746 1.00 0.00 C ATOM 632 C PHE A 42 -0.949 -9.166 -1.366 1.00 0.00 C ATOM 633 O PHE A 42 0.231 -9.509 -1.369 1.00 0.00 O ATOM 634 CB PHE A 42 -1.247 -6.769 -0.587 1.00 0.00 C ATOM 635 CG PHE A 42 -1.205 -5.359 -1.089 1.00 0.00 C ATOM 636 CD1 PHE A 42 -0.031 -4.627 -1.042 1.00 0.00 C ATOM 637 CD2 PHE A 42 -2.329 -4.781 -1.661 1.00 0.00 C ATOM 638 CE1 PHE A 42 0.017 -3.351 -1.555 1.00 0.00 C ATOM 639 CE2 PHE A 42 -2.283 -3.505 -2.165 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.108 -2.795 -2.114 1.00 0.00 C ATOM 0 H PHE A 42 -3.426 -7.467 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.658 -7.422 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.095 -6.895 0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.347 -6.982 -0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.854 -5.061 -0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.251 -5.341 -1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.938 -2.788 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.167 -3.061 -2.600 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.068 -1.793 -2.516 1.00 0.00 H new ATOM 650 N SER A 43 -1.936 -10.004 -1.094 1.00 0.00 N ATOM 651 CA SER A 43 -1.688 -11.415 -0.864 1.00 0.00 C ATOM 652 C SER A 43 -1.277 -12.083 -2.184 1.00 0.00 C ATOM 653 O SER A 43 -0.838 -13.234 -2.206 1.00 0.00 O ATOM 654 CB SER A 43 -2.936 -12.085 -0.281 1.00 0.00 C ATOM 655 OG SER A 43 -2.648 -13.379 0.224 1.00 0.00 O ATOM 0 H SER A 43 -2.916 -9.730 -1.027 1.00 0.00 H new ATOM 0 HA SER A 43 -0.877 -11.528 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.343 -11.465 0.518 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.704 -12.157 -1.051 1.00 0.00 H new ATOM 0 HG SER A 43 -1.968 -13.805 -0.338 1.00 0.00 H new ATOM 661 N SER A 44 -1.432 -11.344 -3.285 1.00 0.00 N ATOM 662 CA SER A 44 -1.000 -11.817 -4.591 1.00 0.00 C ATOM 663 C SER A 44 0.519 -11.708 -4.689 1.00 0.00 C ATOM 664 O SER A 44 1.188 -12.562 -5.277 1.00 0.00 O ATOM 665 CB SER A 44 -1.675 -11.010 -5.711 1.00 0.00 C ATOM 666 OG SER A 44 -0.950 -9.827 -6.014 1.00 0.00 O ATOM 0 H SER A 44 -1.854 -10.416 -3.292 1.00 0.00 H new ATOM 0 HA SER A 44 -1.293 -12.860 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.756 -11.627 -6.606 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.690 -10.749 -5.411 1.00 0.00 H new ATOM 0 HG SER A 44 -1.111 -9.157 -5.317 1.00 0.00 H new ATOM 672 N ILE A 45 1.052 -10.639 -4.104 1.00 0.00 N ATOM 673 CA ILE A 45 2.495 -10.457 -3.985 1.00 0.00 C ATOM 674 C ILE A 45 3.090 -11.525 -3.077 1.00 0.00 C ATOM 675 O ILE A 45 4.125 -12.116 -3.389 1.00 0.00 O ATOM 676 CB ILE A 45 2.834 -9.050 -3.440 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.588 -8.006 -4.523 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.280 -8.971 -2.948 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.678 -7.959 -5.556 1.00 0.00 C ATOM 0 H ILE A 45 0.501 -9.880 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 45 2.930 -10.553 -4.980 1.00 0.00 H new ATOM 0 HB ILE A 45 2.184 -8.851 -2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.639 -8.218 -5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.494 -7.025 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.482 -7.968 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.432 -9.696 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.958 -9.193 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.443 -7.196 -6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.626 -7.717 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.757 -8.930 -6.046 1.00 0.00 H new ATOM 691 N GLY A 46 2.407 -11.788 -1.982 1.00 0.00 N ATOM 692 CA GLY A 46 2.874 -12.758 -1.021 1.00 0.00 C ATOM 693 C GLY A 46 2.010 -12.755 0.212 1.00 0.00 C ATOM 694 O GLY A 46 0.852 -12.350 0.156 1.00 0.00 O ATOM 0 H GLY A 46 1.524 -11.340 -1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.870 -13.751 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.906 -12.536 -0.747 1.00 0.00 H new ATOM 698 N GLU A 47 2.552 -13.198 1.326 1.00 0.00 N ATOM 699 CA GLU A 47 1.811 -13.190 2.561 1.00 0.00 C ATOM 700 C GLU A 47 1.785 -11.795 3.162 1.00 0.00 C ATOM 701 O GLU A 47 2.732 -11.019 3.041 1.00 0.00 O ATOM 702 CB GLU A 47 2.395 -14.182 3.542 1.00 0.00 C ATOM 703 CG GLU A 47 3.861 -14.000 3.685 1.00 0.00 C ATOM 704 CD GLU A 47 4.666 -14.859 2.730 1.00 0.00 C ATOM 705 OE1 GLU A 47 4.987 -16.011 3.082 1.00 0.00 O ATOM 706 OE2 GLU A 47 4.987 -14.383 1.623 1.00 0.00 O1- ATOM 0 H GLU A 47 3.500 -13.566 1.398 1.00 0.00 H new ATOM 0 HA GLU A 47 0.785 -13.488 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.915 -14.062 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.184 -15.197 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.108 -12.952 3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.152 -14.236 4.709 1.00 0.00 H new ATOM 713 N VAL A 48 0.704 -11.520 3.841 1.00 0.00 N ATOM 714 CA VAL A 48 0.401 -10.194 4.351 1.00 0.00 C ATOM 715 C VAL A 48 0.145 -10.278 5.829 1.00 0.00 C ATOM 716 O VAL A 48 -0.742 -10.993 6.297 1.00 0.00 O ATOM 717 CB VAL A 48 -0.817 -9.573 3.616 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.346 -8.348 4.349 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.450 -9.212 2.185 1.00 0.00 C ATOM 0 H VAL A 48 -0.007 -12.217 4.063 1.00 0.00 H new ATOM 0 HA VAL A 48 1.256 -9.543 4.169 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.609 -10.322 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.198 -7.939 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.658 -8.632 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.561 -7.595 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.316 -8.778 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.366 -8.489 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.136 -10.110 1.652 1.00 0.00 H new ATOM 729 N GLU A 49 0.974 -9.551 6.547 1.00 0.00 N ATOM 730 CA GLU A 49 0.938 -9.507 7.979 1.00 0.00 C ATOM 731 C GLU A 49 -0.425 -9.014 8.439 1.00 0.00 C ATOM 732 O GLU A 49 -1.137 -9.704 9.164 1.00 0.00 O ATOM 733 CB GLU A 49 2.043 -8.603 8.462 1.00 0.00 C ATOM 734 CG GLU A 49 2.291 -8.709 9.942 1.00 0.00 C ATOM 735 CD GLU A 49 1.300 -7.924 10.785 1.00 0.00 C ATOM 736 OE1 GLU A 49 0.450 -8.550 11.443 1.00 0.00 O ATOM 737 OE2 GLU A 49 1.360 -6.678 10.781 1.00 0.00 O1- ATOM 0 H GLU A 49 1.702 -8.966 6.137 1.00 0.00 H new ATOM 0 HA GLU A 49 1.092 -10.502 8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.962 -8.846 7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.794 -7.571 8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.252 -9.758 10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.299 -8.356 10.159 1.00 0.00 H new ATOM 744 N SER A 50 -0.795 -7.834 7.964 1.00 0.00 N ATOM 745 CA SER A 50 -2.072 -7.218 8.325 1.00 0.00 C ATOM 746 C SER A 50 -2.449 -6.147 7.315 1.00 0.00 C ATOM 747 O SER A 50 -1.652 -5.261 7.026 1.00 0.00 O ATOM 748 CB SER A 50 -2.003 -6.604 9.716 1.00 0.00 C ATOM 749 OG SER A 50 -1.947 -7.591 10.733 1.00 0.00 O ATOM 0 H SER A 50 -0.228 -7.278 7.324 1.00 0.00 H new ATOM 0 HA SER A 50 -2.833 -7.998 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.125 -5.962 9.785 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.875 -5.969 9.875 1.00 0.00 H new ATOM 0 HG SER A 50 -1.048 -7.610 11.122 1.00 0.00 H new ATOM 755 N ALA A 51 -3.662 -6.218 6.788 1.00 0.00 N ATOM 756 CA ALA A 51 -4.122 -5.234 5.825 1.00 0.00 C ATOM 757 C ALA A 51 -5.393 -4.559 6.300 1.00 0.00 C ATOM 758 O ALA A 51 -6.371 -5.223 6.646 1.00 0.00 O ATOM 759 CB ALA A 51 -4.330 -5.864 4.456 1.00 0.00 C ATOM 0 H ALA A 51 -4.342 -6.945 7.011 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.347 -4.473 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.675 -5.104 3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.389 -6.284 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.076 -6.655 4.529 1.00 0.00 H new ATOM 765 N LYS A 52 -5.372 -3.238 6.329 1.00 0.00 N ATOM 766 CA LYS A 52 -6.534 -2.477 6.732 1.00 0.00 C ATOM 767 C LYS A 52 -7.070 -1.639 5.594 1.00 0.00 C ATOM 768 O LYS A 52 -6.324 -1.181 4.731 1.00 0.00 O ATOM 769 CB LYS A 52 -6.246 -1.563 7.924 1.00 0.00 C ATOM 770 CG LYS A 52 -4.963 -0.780 7.849 1.00 0.00 C ATOM 771 CD LYS A 52 -4.933 0.332 8.892 1.00 0.00 C ATOM 772 CE LYS A 52 -4.576 -0.157 10.287 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.516 -1.180 10.820 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.561 -2.673 6.078 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.282 -3.212 7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.073 -0.861 8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.227 -2.171 8.829 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.116 -1.449 8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.854 -0.351 6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.211 1.089 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.909 0.817 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.569 -0.575 10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.556 0.695 10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.495 -1.163 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.480 -0.971 10.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.231 -2.122 10.484 1.00 0.00 H new ATOM 787 N LEU A 53 -8.370 -1.441 5.622 1.00 0.00 N ATOM 788 CA LEU A 53 -9.045 -0.553 4.706 1.00 0.00 C ATOM 789 C LEU A 53 -9.654 0.575 5.510 1.00 0.00 C ATOM 790 O LEU A 53 -10.276 0.340 6.547 1.00 0.00 O ATOM 791 CB LEU A 53 -10.134 -1.301 3.948 1.00 0.00 C ATOM 792 CG LEU A 53 -11.020 -0.443 3.055 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.542 -0.504 1.621 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.464 -0.899 3.159 1.00 0.00 C ATOM 0 H LEU A 53 -8.993 -1.897 6.289 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.336 -0.159 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.663 -2.068 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.767 -1.816 4.671 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.959 0.592 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.186 0.115 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.518 -0.136 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.577 -1.535 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.089 -0.279 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.540 -1.940 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.801 -0.807 4.191 1.00 0.00 H new ATOM 806 N ILE A 54 -9.464 1.791 5.057 1.00 0.00 N ATOM 807 CA ILE A 54 -9.932 2.935 5.806 1.00 0.00 C ATOM 808 C ILE A 54 -11.246 3.440 5.242 1.00 0.00 C ATOM 809 O ILE A 54 -11.328 3.826 4.073 1.00 0.00 O ATOM 810 CB ILE A 54 -8.910 4.076 5.790 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.520 3.581 6.226 1.00 0.00 C ATOM 812 CG2 ILE A 54 -9.380 5.219 6.679 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.483 2.909 7.587 1.00 0.00 C ATOM 0 H ILE A 54 -8.993 2.014 4.181 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.074 2.608 6.836 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.826 4.444 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.149 2.879 5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.834 4.428 6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.644 6.023 6.658 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.337 5.593 6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.496 4.860 7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.464 2.593 7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.820 3.612 8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.139 2.039 7.581 1.00 0.00 H new ATOM 825 N ARG A 55 -12.272 3.425 6.071 1.00 0.00 N ATOM 826 CA ARG A 55 -13.573 3.919 5.672 1.00 0.00 C ATOM 827 C ARG A 55 -14.026 4.997 6.638 1.00 0.00 C ATOM 828 O ARG A 55 -13.428 5.182 7.697 1.00 0.00 O ATOM 829 CB ARG A 55 -14.605 2.793 5.634 1.00 0.00 C ATOM 830 CG ARG A 55 -14.140 1.554 4.893 1.00 0.00 C ATOM 831 CD ARG A 55 -15.305 0.631 4.578 1.00 0.00 C ATOM 832 NE ARG A 55 -15.993 0.193 5.795 1.00 0.00 N ATOM 833 CZ ARG A 55 -16.601 -0.985 5.934 1.00 0.00 C ATOM 834 NH1 ARG A 55 -16.626 -1.851 4.933 1.00 0.00 N1+ ATOM 835 NH2 ARG A 55 -17.188 -1.291 7.083 1.00 0.00 N ATOM 0 H ARG A 55 -12.228 3.075 7.028 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.488 4.335 4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.864 2.517 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.516 3.164 5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.644 1.846 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.404 1.022 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.011 1.145 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.942 -0.240 4.032 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.008 0.833 6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.178 -1.619 4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.094 -2.750 5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.173 -0.626 7.856 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.654 -2.191 7.194 1.00 0.00 H new ATOM 849 N ASP A 56 -15.070 5.718 6.263 1.00 0.00 N ATOM 850 CA ASP A 56 -15.583 6.784 7.105 1.00 0.00 C ATOM 851 C ASP A 56 -16.434 6.227 8.225 1.00 0.00 C ATOM 852 O ASP A 56 -17.226 5.304 8.029 1.00 0.00 O ATOM 853 CB ASP A 56 -16.417 7.772 6.310 1.00 0.00 C ATOM 854 CG ASP A 56 -16.636 9.062 7.058 1.00 0.00 C ATOM 855 OD1 ASP A 56 -17.781 9.317 7.468 1.00 0.00 O ATOM 856 OD2 ASP A 56 -15.663 9.813 7.254 1.00 0.00 O1- ATOM 0 H ASP A 56 -15.575 5.585 5.387 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.717 7.299 7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.922 7.983 5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.382 7.323 6.073 1.00 0.00 H new ATOM 861 N LYS A 57 -16.274 6.829 9.380 1.00 0.00 N ATOM 862 CA LYS A 57 -16.982 6.467 10.588 1.00 0.00 C ATOM 863 C LYS A 57 -18.462 6.827 10.510 1.00 0.00 C ATOM 864 O LYS A 57 -19.250 6.472 11.385 1.00 0.00 O ATOM 865 CB LYS A 57 -16.316 7.191 11.751 1.00 0.00 C ATOM 866 CG LYS A 57 -16.708 8.647 11.895 1.00 0.00 C ATOM 867 CD LYS A 57 -16.387 9.485 10.652 1.00 0.00 C ATOM 868 CE LYS A 57 -14.893 9.770 10.544 1.00 0.00 C ATOM 869 NZ LYS A 57 -14.583 10.739 9.460 1.00 0.00 N1+ ATOM 0 H LYS A 57 -15.628 7.608 9.510 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.933 5.387 10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.562 6.669 12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.235 7.130 11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.776 8.710 12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.191 9.072 12.755 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.724 8.958 9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.936 10.426 10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.530 10.162 11.494 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.359 8.838 10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.555 10.775 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.051 10.438 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.926 11.683 9.729 1.00 0.00 H new ATOM 883 N VAL A 58 -18.824 7.531 9.457 1.00 0.00 N ATOM 884 CA VAL A 58 -20.167 8.056 9.308 1.00 0.00 C ATOM 885 C VAL A 58 -20.764 7.655 7.974 1.00 0.00 C ATOM 886 O VAL A 58 -21.806 7.002 7.911 1.00 0.00 O ATOM 887 CB VAL A 58 -20.139 9.590 9.418 1.00 0.00 C ATOM 888 CG1 VAL A 58 -21.493 10.200 9.126 1.00 0.00 C ATOM 889 CG2 VAL A 58 -19.646 9.991 10.788 1.00 0.00 C ATOM 0 H VAL A 58 -18.199 7.755 8.683 1.00 0.00 H new ATOM 0 HA VAL A 58 -20.786 7.639 10.102 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.452 9.975 8.665 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.430 11.285 9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -21.801 9.936 8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.225 9.820 9.839 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -19.627 11.078 10.864 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.314 9.586 11.548 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.641 9.599 10.942 1.00 0.00 H new ATOM 899 N ALA A 59 -20.087 8.036 6.907 1.00 0.00 N ATOM 900 CA ALA A 59 -20.592 7.805 5.568 1.00 0.00 C ATOM 901 C ALA A 59 -20.406 6.358 5.133 1.00 0.00 C ATOM 902 O ALA A 59 -20.836 5.954 4.054 1.00 0.00 O ATOM 903 CB ALA A 59 -19.939 8.767 4.592 1.00 0.00 C ATOM 0 H ALA A 59 -19.184 8.508 6.943 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.666 7.993 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -20.325 8.585 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -20.163 9.792 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -18.860 8.615 4.598 1.00 0.00 H new ATOM 909 N GLY A 60 -19.754 5.594 6.003 1.00 0.00 N ATOM 910 CA GLY A 60 -19.613 4.154 5.831 1.00 0.00 C ATOM 911 C GLY A 60 -19.033 3.741 4.493 1.00 0.00 C ATOM 912 O GLY A 60 -19.446 2.731 3.929 1.00 0.00 O ATOM 0 H GLY A 60 -19.309 5.956 6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -18.976 3.765 6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.591 3.688 5.950 1.00 0.00 H new ATOM 916 N HIS A 61 -18.075 4.500 3.987 1.00 0.00 N ATOM 917 CA HIS A 61 -17.468 4.171 2.701 1.00 0.00 C ATOM 918 C HIS A 61 -15.959 4.298 2.786 1.00 0.00 C ATOM 919 O HIS A 61 -15.447 5.102 3.564 1.00 0.00 O ATOM 920 CB HIS A 61 -18.016 5.079 1.583 1.00 0.00 C ATOM 921 CG HIS A 61 -17.343 6.418 1.470 1.00 0.00 C ATOM 922 ND1 HIS A 61 -16.587 6.787 0.377 1.00 0.00 N ATOM 923 CD2 HIS A 61 -17.309 7.471 2.318 1.00 0.00 C ATOM 924 CE1 HIS A 61 -16.117 8.005 0.562 1.00 0.00 C ATOM 925 NE2 HIS A 61 -16.541 8.445 1.729 1.00 0.00 N ATOM 0 H HIS A 61 -17.703 5.337 4.436 1.00 0.00 H new ATOM 0 HA HIS A 61 -17.724 3.140 2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -17.918 4.558 0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -19.081 5.237 1.752 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -17.796 7.534 3.280 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -15.490 8.550 -0.128 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -16.333 9.360 2.130 1.00 0.00 H new ATOM 934 N SER A 62 -15.265 3.493 1.997 1.00 0.00 N ATOM 935 CA SER A 62 -13.818 3.541 1.935 1.00 0.00 C ATOM 936 C SER A 62 -13.365 4.916 1.466 1.00 0.00 C ATOM 937 O SER A 62 -13.828 5.417 0.442 1.00 0.00 O ATOM 938 CB SER A 62 -13.316 2.450 0.991 1.00 0.00 C ATOM 939 OG SER A 62 -13.995 1.230 1.246 1.00 0.00 O ATOM 0 H SER A 62 -15.688 2.794 1.387 1.00 0.00 H new ATOM 0 HA SER A 62 -13.400 3.366 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.475 2.753 -0.044 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.243 2.311 1.122 1.00 0.00 H new ATOM 0 HG SER A 62 -13.574 0.508 0.734 1.00 0.00 H new ATOM 945 N LEU A 63 -12.468 5.525 2.228 1.00 0.00 N ATOM 946 CA LEU A 63 -12.037 6.889 1.964 1.00 0.00 C ATOM 947 C LEU A 63 -11.020 6.932 0.837 1.00 0.00 C ATOM 948 O LEU A 63 -10.700 7.998 0.312 1.00 0.00 O ATOM 949 CB LEU A 63 -11.458 7.514 3.231 1.00 0.00 C ATOM 950 CG LEU A 63 -12.433 7.591 4.405 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.789 8.281 5.594 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.708 8.312 3.994 1.00 0.00 C ATOM 0 H LEU A 63 -12.023 5.093 3.038 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.907 7.467 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.585 6.938 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.110 8.520 2.998 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.693 6.574 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.501 8.325 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.907 7.722 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.496 9.293 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.390 8.357 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.465 9.324 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.183 7.772 3.175 1.00 0.00 H new ATOM 964 N GLY A 64 -10.519 5.768 0.462 1.00 0.00 N ATOM 965 CA GLY A 64 -9.623 5.687 -0.667 1.00 0.00 C ATOM 966 C GLY A 64 -8.193 5.425 -0.272 1.00 0.00 C ATOM 967 O GLY A 64 -7.278 5.837 -0.970 1.00 0.00 O ATOM 0 H GLY A 64 -10.717 4.878 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.960 4.894 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.673 6.619 -1.230 1.00 0.00 H new ATOM 971 N TYR A 65 -7.994 4.745 0.845 1.00 0.00 N ATOM 972 CA TYR A 65 -6.655 4.336 1.245 1.00 0.00 C ATOM 973 C TYR A 65 -6.712 3.293 2.351 1.00 0.00 C ATOM 974 O TYR A 65 -7.745 3.120 3.002 1.00 0.00 O ATOM 975 CB TYR A 65 -5.801 5.544 1.673 1.00 0.00 C ATOM 976 CG TYR A 65 -6.159 6.156 2.998 1.00 0.00 C ATOM 977 CD1 TYR A 65 -5.342 5.959 4.096 1.00 0.00 C ATOM 978 CD2 TYR A 65 -7.290 6.945 3.148 1.00 0.00 C ATOM 979 CE1 TYR A 65 -5.636 6.527 5.311 1.00 0.00 C ATOM 980 CE2 TYR A 65 -7.596 7.517 4.364 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.765 7.306 5.445 1.00 0.00 C ATOM 982 OH TYR A 65 -7.057 7.879 6.663 1.00 0.00 O ATOM 0 H TYR A 65 -8.735 4.466 1.488 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.176 3.884 0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.757 5.234 1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.881 6.313 0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.457 5.348 3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.939 7.113 2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.986 6.364 6.158 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.481 8.127 4.470 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.885 8.398 6.590 1.00 0.00 H new ATOM 992 N GLY A 66 -5.608 2.588 2.529 1.00 0.00 N ATOM 993 CA GLY A 66 -5.511 1.564 3.546 1.00 0.00 C ATOM 994 C GLY A 66 -4.069 1.240 3.861 1.00 0.00 C ATOM 995 O GLY A 66 -3.162 1.879 3.328 1.00 0.00 O ATOM 0 H GLY A 66 -4.761 2.711 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.017 1.898 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.023 0.663 3.208 1.00 0.00 H new ATOM 999 N PHE A 67 -3.848 0.255 4.719 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.495 -0.078 5.159 1.00 0.00 C ATOM 1001 C PHE A 67 -2.299 -1.586 5.218 1.00 0.00 C ATOM 1002 O PHE A 67 -2.874 -2.254 6.072 1.00 0.00 O ATOM 1003 CB PHE A 67 -2.213 0.508 6.548 1.00 0.00 C ATOM 1004 CG PHE A 67 -2.357 2.000 6.641 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -1.254 2.826 6.505 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -3.597 2.576 6.874 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -1.384 4.198 6.600 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -3.733 3.945 6.969 1.00 0.00 C ATOM 1009 CZ PHE A 67 -2.625 4.759 6.832 1.00 0.00 C ATOM 0 H PHE A 67 -4.581 -0.327 5.124 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.804 0.351 4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.890 0.046 7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.200 0.235 6.844 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.282 2.393 6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.467 1.945 6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.516 4.832 6.493 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.705 4.380 7.150 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.729 5.831 6.906 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.502 -2.120 4.314 1.00 0.00 N ATOM 1020 CA VAL A 68 -1.168 -3.527 4.352 1.00 0.00 C ATOM 1021 C VAL A 68 0.296 -3.726 4.717 1.00 0.00 C ATOM 1022 O VAL A 68 1.210 -3.410 3.960 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.557 -4.256 3.040 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.790 -3.263 1.932 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.534 -5.310 2.618 1.00 0.00 C ATOM 0 H VAL A 68 -1.075 -1.601 3.546 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.765 -3.989 5.138 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.486 -4.790 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.062 -3.793 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.597 -2.587 2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.879 -2.689 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.862 -5.785 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.434 -4.834 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.443 -6.063 3.401 1.00 0.00 H new ATOM 1035 N ASN A 69 0.485 -4.186 5.936 1.00 0.00 N ATOM 1036 CA ASN A 69 1.785 -4.550 6.443 1.00 0.00 C ATOM 1037 C ASN A 69 2.146 -5.926 5.931 1.00 0.00 C ATOM 1038 O ASN A 69 1.360 -6.863 6.062 1.00 0.00 O ATOM 1039 CB ASN A 69 1.752 -4.572 7.969 1.00 0.00 C ATOM 1040 CG ASN A 69 3.134 -4.575 8.585 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.064 -3.981 8.059 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.280 -5.262 9.696 1.00 0.00 N ATOM 0 H ASN A 69 -0.271 -4.318 6.608 1.00 0.00 H new ATOM 0 HA ASN A 69 2.525 -3.823 6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.201 -3.703 8.329 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.208 -5.455 8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.193 -5.312 10.148 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.480 -5.745 10.106 1.00 0.00 H new ATOM 1049 N TYR A 70 3.305 -6.051 5.325 1.00 0.00 N ATOM 1050 CA TYR A 70 3.782 -7.341 4.891 1.00 0.00 C ATOM 1051 C TYR A 70 4.584 -8.009 5.988 1.00 0.00 C ATOM 1052 O TYR A 70 4.965 -7.376 6.975 1.00 0.00 O ATOM 1053 CB TYR A 70 4.637 -7.209 3.635 1.00 0.00 C ATOM 1054 CG TYR A 70 3.852 -7.187 2.350 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.275 -8.349 1.863 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.700 -6.021 1.615 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.571 -8.355 0.681 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.992 -6.019 0.432 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.429 -7.188 -0.029 1.00 0.00 C ATOM 1060 OH TYR A 70 1.733 -7.194 -1.211 1.00 0.00 O ATOM 0 H TYR A 70 3.934 -5.274 5.122 1.00 0.00 H new ATOM 0 HA TYR A 70 2.914 -7.958 4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.224 -6.293 3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.343 -8.039 3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.380 -9.267 2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.142 -5.103 1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.133 -9.271 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.879 -5.104 -0.131 1.00 0.00 H new ATOM 0 HH TYR A 70 1.139 -7.973 -1.237 1.00 0.00 H new ATOM 1070 N VAL A 71 4.822 -9.297 5.815 1.00 0.00 N ATOM 1071 CA VAL A 71 5.629 -10.051 6.756 1.00 0.00 C ATOM 1072 C VAL A 71 7.109 -9.746 6.515 1.00 0.00 C ATOM 1073 O VAL A 71 7.949 -9.883 7.403 1.00 0.00 O ATOM 1074 CB VAL A 71 5.372 -11.567 6.628 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.878 -11.859 6.715 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.958 -12.113 5.339 1.00 0.00 C ATOM 0 H VAL A 71 4.467 -9.843 5.030 1.00 0.00 H new ATOM 0 HA VAL A 71 5.351 -9.751 7.767 1.00 0.00 H new ATOM 0 HB VAL A 71 5.871 -12.070 7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.711 -12.932 6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.495 -11.513 7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.358 -11.341 5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.762 -13.183 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.499 -11.609 4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.034 -11.940 5.326 1.00 0.00 H new ATOM 1086 N THR A 72 7.402 -9.318 5.289 1.00 0.00 N ATOM 1087 CA THR A 72 8.745 -8.936 4.883 1.00 0.00 C ATOM 1088 C THR A 72 8.771 -7.481 4.456 1.00 0.00 C ATOM 1089 O THR A 72 7.726 -6.863 4.253 1.00 0.00 O ATOM 1090 CB THR A 72 9.213 -9.745 3.663 1.00 0.00 C ATOM 1091 OG1 THR A 72 8.198 -9.717 2.658 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.565 -11.175 4.010 1.00 0.00 C ATOM 0 H THR A 72 6.707 -9.227 4.548 1.00 0.00 H new ATOM 0 HA THR A 72 9.393 -9.119 5.740 1.00 0.00 H new ATOM 0 HB THR A 72 10.125 -9.280 3.290 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.220 -10.553 2.147 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.889 -11.699 3.110 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.370 -11.184 4.744 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.690 -11.675 4.425 1.00 0.00 H new ATOM 1100 N ALA A 73 9.966 -6.942 4.310 1.00 0.00 N ATOM 1101 CA ALA A 73 10.139 -5.687 3.603 1.00 0.00 C ATOM 1102 C ALA A 73 10.380 -6.000 2.131 1.00 0.00 C ATOM 1103 O ALA A 73 10.291 -5.134 1.259 1.00 0.00 O ATOM 1104 CB ALA A 73 11.287 -4.881 4.186 1.00 0.00 C ATOM 0 H ALA A 73 10.828 -7.351 4.670 1.00 0.00 H new ATOM 0 HA ALA A 73 9.242 -5.077 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.392 -3.946 3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.083 -4.664 5.234 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.211 -5.454 4.107 1.00 0.00 H new ATOM 1110 N LYS A 74 10.687 -7.270 1.890 1.00 0.00 N ATOM 1111 CA LYS A 74 10.887 -7.815 0.553 1.00 0.00 C ATOM 1112 C LYS A 74 9.611 -7.730 -0.287 1.00 0.00 C ATOM 1113 O LYS A 74 9.606 -7.130 -1.362 1.00 0.00 O ATOM 1114 CB LYS A 74 11.368 -9.262 0.693 1.00 0.00 C ATOM 1115 CG LYS A 74 11.315 -10.055 -0.588 1.00 0.00 C ATOM 1116 CD LYS A 74 10.348 -11.213 -0.462 1.00 0.00 C ATOM 1117 CE LYS A 74 9.904 -11.684 -1.829 1.00 0.00 C ATOM 1118 NZ LYS A 74 8.858 -12.739 -1.747 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.806 -7.961 2.631 1.00 0.00 H new ATOM 0 HA LYS A 74 11.638 -7.226 0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.393 -9.259 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.759 -9.765 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.009 -9.407 -1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.309 -10.430 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.823 -12.034 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.481 -10.908 0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.519 -10.836 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.764 -12.069 -2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.926 -13.360 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.998 -13.301 -0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.918 -12.295 -1.722 1.00 0.00 H new ATOM 1132 N ASP A 75 8.528 -8.315 0.211 1.00 0.00 N ATOM 1133 CA ASP A 75 7.253 -8.315 -0.508 1.00 0.00 C ATOM 1134 C ASP A 75 6.632 -6.924 -0.490 1.00 0.00 C ATOM 1135 O ASP A 75 5.750 -6.619 -1.287 1.00 0.00 O ATOM 1136 CB ASP A 75 6.293 -9.347 0.100 1.00 0.00 C ATOM 1137 CG ASP A 75 6.781 -10.772 -0.088 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.615 -11.331 -1.190 1.00 0.00 O ATOM 1139 OD2 ASP A 75 7.347 -11.343 0.866 1.00 0.00 O1- ATOM 0 H ASP A 75 8.504 -8.796 1.110 1.00 0.00 H new ATOM 0 HA ASP A 75 7.440 -8.593 -1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.173 -9.144 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.310 -9.239 -0.358 1.00 0.00 H new ATOM 1144 N ALA A 76 7.112 -6.076 0.412 1.00 0.00 N ATOM 1145 CA ALA A 76 6.676 -4.684 0.471 1.00 0.00 C ATOM 1146 C ALA A 76 7.119 -3.933 -0.781 1.00 0.00 C ATOM 1147 O ALA A 76 6.294 -3.392 -1.517 1.00 0.00 O ATOM 1148 CB ALA A 76 7.222 -4.016 1.727 1.00 0.00 C ATOM 0 H ALA A 76 7.806 -6.328 1.116 1.00 0.00 H new ATOM 0 HA ALA A 76 5.587 -4.658 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.891 -2.978 1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.855 -4.543 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.311 -4.049 1.712 1.00 0.00 H new ATOM 1154 N GLU A 77 8.423 -3.925 -1.028 1.00 0.00 N ATOM 1155 CA GLU A 77 8.977 -3.350 -2.250 1.00 0.00 C ATOM 1156 C GLU A 77 8.395 -4.056 -3.464 1.00 0.00 C ATOM 1157 O GLU A 77 8.125 -3.429 -4.488 1.00 0.00 O ATOM 1158 CB GLU A 77 10.501 -3.487 -2.232 1.00 0.00 C ATOM 1159 CG GLU A 77 11.171 -3.134 -3.548 1.00 0.00 C ATOM 1160 CD GLU A 77 12.671 -3.327 -3.501 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.404 -2.323 -3.389 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.127 -4.489 -3.565 1.00 0.00 O1- ATOM 0 H GLU A 77 9.122 -4.313 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 77 8.717 -2.293 -2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.903 -2.845 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.760 -4.513 -1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.753 -3.752 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.948 -2.097 -3.799 1.00 0.00 H new ATOM 1169 N ARG A 78 8.159 -5.354 -3.316 1.00 0.00 N ATOM 1170 CA ARG A 78 7.631 -6.164 -4.390 1.00 0.00 C ATOM 1171 C ARG A 78 6.216 -5.712 -4.728 1.00 0.00 C ATOM 1172 O ARG A 78 5.799 -5.745 -5.877 1.00 0.00 O ATOM 1173 CB ARG A 78 7.663 -7.633 -3.977 1.00 0.00 C ATOM 1174 CG ARG A 78 7.279 -8.605 -5.073 1.00 0.00 C ATOM 1175 CD ARG A 78 7.570 -10.035 -4.660 1.00 0.00 C ATOM 1176 NE ARG A 78 7.168 -10.997 -5.683 1.00 0.00 N ATOM 1177 CZ ARG A 78 8.019 -11.671 -6.458 1.00 0.00 C ATOM 1178 NH1 ARG A 78 9.327 -11.443 -6.382 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 7.559 -12.569 -7.322 1.00 0.00 N ATOM 0 H ARG A 78 8.329 -5.866 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 78 8.243 -6.045 -5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.667 -7.877 -3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.989 -7.774 -3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.219 -8.498 -5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.829 -8.367 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.636 -10.144 -4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.047 -10.256 -3.730 1.00 0.00 H new ATOM 0 HE ARG A 78 6.170 -11.164 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.686 -10.748 -5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.971 -11.963 -6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.556 -12.742 -7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.209 -13.085 -7.915 1.00 0.00 H new ATOM 1193 N ALA A 79 5.483 -5.261 -3.720 1.00 0.00 N ATOM 1194 CA ALA A 79 4.145 -4.752 -3.947 1.00 0.00 C ATOM 1195 C ALA A 79 4.194 -3.369 -4.564 1.00 0.00 C ATOM 1196 O ALA A 79 3.346 -3.014 -5.370 1.00 0.00 O ATOM 1197 CB ALA A 79 3.333 -4.732 -2.664 1.00 0.00 C ATOM 0 H ALA A 79 5.791 -5.238 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 79 3.651 -5.427 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.335 -4.345 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.254 -5.744 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.826 -4.093 -1.932 1.00 0.00 H new ATOM 1203 N ILE A 80 5.181 -2.581 -4.187 1.00 0.00 N ATOM 1204 CA ILE A 80 5.302 -1.243 -4.735 1.00 0.00 C ATOM 1205 C ILE A 80 5.703 -1.256 -6.198 1.00 0.00 C ATOM 1206 O ILE A 80 5.230 -0.443 -6.982 1.00 0.00 O ATOM 1207 CB ILE A 80 6.296 -0.408 -3.943 1.00 0.00 C ATOM 1208 CG1 ILE A 80 5.923 -0.439 -2.469 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.306 1.018 -4.451 1.00 0.00 C ATOM 1210 CD1 ILE A 80 6.873 0.324 -1.597 1.00 0.00 C ATOM 0 H ILE A 80 5.902 -2.838 -3.513 1.00 0.00 H new ATOM 0 HA ILE A 80 4.313 -0.791 -4.657 1.00 0.00 H new ATOM 0 HB ILE A 80 7.295 -0.825 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.921 -0.029 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.886 -1.475 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.022 1.604 -3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.592 1.028 -5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.311 1.450 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.546 0.259 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.873 -0.100 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.892 1.369 -1.907 1.00 0.00 H new ATOM 1222 N ASN A 81 6.563 -2.167 -6.583 1.00 0.00 N ATOM 1223 CA ASN A 81 6.992 -2.202 -7.964 1.00 0.00 C ATOM 1224 C ASN A 81 5.999 -2.964 -8.824 1.00 0.00 C ATOM 1225 O ASN A 81 5.878 -2.716 -10.024 1.00 0.00 O ATOM 1226 CB ASN A 81 8.401 -2.776 -8.093 1.00 0.00 C ATOM 1227 CG ASN A 81 8.596 -4.142 -7.457 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.741 -5.018 -7.536 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.739 -4.321 -6.808 1.00 0.00 N ATOM 0 H ASN A 81 6.973 -2.879 -5.978 1.00 0.00 H new ATOM 0 HA ASN A 81 7.025 -1.176 -8.329 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.654 -2.844 -9.151 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.105 -2.077 -7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.932 -5.213 -6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.425 -3.567 -6.765 1.00 0.00 H new ATOM 1236 N THR A 82 5.295 -3.887 -8.208 1.00 0.00 N ATOM 1237 CA THR A 82 4.313 -4.684 -8.907 1.00 0.00 C ATOM 1238 C THR A 82 2.901 -4.081 -8.834 1.00 0.00 C ATOM 1239 O THR A 82 2.304 -3.744 -9.857 1.00 0.00 O ATOM 1240 CB THR A 82 4.311 -6.114 -8.347 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.530 -6.776 -8.707 1.00 0.00 O ATOM 1242 CG2 THR A 82 3.108 -6.923 -8.820 1.00 0.00 C ATOM 0 H THR A 82 5.386 -4.105 -7.216 1.00 0.00 H new ATOM 0 HA THR A 82 4.595 -4.699 -9.960 1.00 0.00 H new ATOM 0 HB THR A 82 4.237 -6.042 -7.262 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.293 -6.265 -8.364 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.154 -7.926 -8.396 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.190 -6.434 -8.495 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.119 -6.988 -9.908 1.00 0.00 H new ATOM 1250 N LEU A 83 2.386 -3.937 -7.615 1.00 0.00 N ATOM 1251 CA LEU A 83 0.981 -3.591 -7.390 1.00 0.00 C ATOM 1252 C LEU A 83 0.697 -2.091 -7.449 1.00 0.00 C ATOM 1253 O LEU A 83 -0.440 -1.692 -7.671 1.00 0.00 O ATOM 1254 CB LEU A 83 0.526 -4.112 -6.034 1.00 0.00 C ATOM 1255 CG LEU A 83 0.453 -5.633 -5.897 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.084 -6.012 -4.530 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.413 -6.242 -6.986 1.00 0.00 C ATOM 0 H LEU A 83 2.926 -4.056 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 83 0.428 -4.061 -8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.205 -3.729 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.459 -3.699 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 83 1.463 -6.029 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.131 -7.098 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.575 -5.616 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.083 -5.595 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.446 -7.324 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.423 -5.838 -6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.007 -6.001 -7.962 1.00 0.00 H new ATOM 1269 N ASN A 84 1.695 -1.256 -7.205 1.00 0.00 N ATOM 1270 CA ASN A 84 1.476 0.189 -7.234 1.00 0.00 C ATOM 1271 C ASN A 84 1.055 0.618 -8.635 1.00 0.00 C ATOM 1272 O ASN A 84 1.786 0.413 -9.608 1.00 0.00 O ATOM 1273 CB ASN A 84 2.739 0.926 -6.786 1.00 0.00 C ATOM 1274 CG ASN A 84 2.562 2.427 -6.630 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.669 3.036 -7.212 1.00 0.00 O ATOM 1276 ND2 ASN A 84 3.430 3.034 -5.840 1.00 0.00 N ATOM 0 H ASN A 84 2.650 -1.543 -6.988 1.00 0.00 H new ATOM 0 HA ASN A 84 0.676 0.447 -6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.071 0.510 -5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.532 0.738 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.371 4.042 -5.697 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.159 2.494 -5.373 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.132 1.199 -8.728 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.707 1.529 -10.012 1.00 0.00 C ATOM 1285 C GLY A 85 -1.519 0.382 -10.575 1.00 0.00 C ATOM 1286 O GLY A 85 -1.672 0.254 -11.790 1.00 0.00 O ATOM 0 H GLY A 85 -0.711 1.449 -7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.342 2.409 -9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.088 1.789 -10.711 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.027 -0.467 -9.687 1.00 0.00 N ATOM 1291 CA LEU A 86 -2.864 -1.589 -10.090 1.00 0.00 C ATOM 1292 C LEU A 86 -4.291 -1.113 -10.272 1.00 0.00 C ATOM 1293 O LEU A 86 -4.749 -0.231 -9.548 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.827 -2.700 -9.029 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.509 -4.109 -9.537 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -3.583 -4.603 -10.493 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.143 -4.131 -10.205 1.00 0.00 C ATOM 0 H LEU A 86 -1.872 -0.398 -8.681 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.483 -1.990 -11.029 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.085 -2.431 -8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.794 -2.727 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.491 -4.784 -8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.330 -5.606 -10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.544 -4.627 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.646 -3.931 -11.349 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.929 -5.138 -10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.139 -3.439 -11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.381 -3.831 -9.485 1.00 0.00 H new ATOM 1309 N ARG A 87 -4.987 -1.683 -11.239 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.367 -1.334 -11.462 1.00 0.00 C ATOM 1311 C ARG A 87 -7.265 -2.222 -10.611 1.00 0.00 C ATOM 1312 O ARG A 87 -7.707 -3.285 -11.044 1.00 0.00 O ATOM 1313 CB ARG A 87 -6.719 -1.483 -12.938 1.00 0.00 C ATOM 1314 CG ARG A 87 -7.691 -0.429 -13.424 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.000 0.913 -13.618 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.003 0.859 -14.688 1.00 0.00 N ATOM 1317 CZ ARG A 87 -5.203 1.874 -15.025 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -5.238 3.014 -14.349 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -4.353 1.738 -16.034 1.00 0.00 N ATOM 0 H ARG A 87 -4.616 -2.387 -11.877 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.522 -0.294 -11.175 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.806 -1.428 -13.531 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.149 -2.471 -13.105 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.138 -0.750 -14.365 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.504 -0.322 -12.705 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.744 1.675 -13.852 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.519 1.212 -12.687 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.913 -0.012 -15.211 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.880 3.122 -13.564 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.623 3.783 -14.614 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.311 0.860 -16.551 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.741 2.512 -16.293 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.519 -1.777 -9.397 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.389 -2.480 -8.477 1.00 0.00 C ATOM 1335 C LEU A 88 -9.814 -2.002 -8.642 1.00 0.00 C ATOM 1336 O LEU A 88 -10.121 -0.863 -8.317 1.00 0.00 O ATOM 1337 CB LEU A 88 -7.940 -2.241 -7.041 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.166 -3.390 -6.411 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.655 -2.988 -5.043 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.063 -4.607 -6.298 1.00 0.00 C ATOM 0 H LEU A 88 -7.126 -0.915 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.337 -3.546 -8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.318 -1.346 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.819 -2.037 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.312 -3.634 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.103 -3.818 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.996 -2.125 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.498 -2.731 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.507 -5.428 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.925 -4.367 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.403 -4.902 -7.291 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.675 -2.865 -9.172 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.082 -2.524 -9.379 1.00 0.00 C ATOM 1354 C GLN A 89 -12.216 -1.236 -10.179 1.00 0.00 C ATOM 1355 O GLN A 89 -13.102 -0.419 -9.923 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.792 -2.376 -8.047 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.735 -3.627 -7.186 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.580 -3.516 -5.935 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.717 -2.305 -5.427 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.094 -4.508 -5.424 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.424 -3.809 -9.467 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.545 -3.334 -9.942 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.347 -1.546 -7.498 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.835 -2.116 -8.227 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.072 -4.482 -7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.700 -3.822 -6.904 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.963 -5.426 -5.849 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.651 -4.413 -4.575 1.00 0.00 H new ATOM 1369 N SER A 90 -11.297 -1.069 -11.123 1.00 0.00 N ATOM 1370 CA SER A 90 -11.264 0.094 -12.006 1.00 0.00 C ATOM 1371 C SER A 90 -10.762 1.343 -11.278 1.00 0.00 C ATOM 1372 O SER A 90 -11.107 2.470 -11.628 1.00 0.00 O ATOM 1373 CB SER A 90 -12.634 0.320 -12.608 1.00 0.00 C ATOM 1374 OG SER A 90 -12.950 -0.696 -13.545 1.00 0.00 O ATOM 0 H SER A 90 -10.549 -1.740 -11.299 1.00 0.00 H new ATOM 0 HA SER A 90 -10.557 -0.106 -12.811 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.384 0.337 -11.818 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.664 1.293 -13.097 1.00 0.00 H new ATOM 0 HG SER A 90 -13.840 -0.530 -13.920 1.00 0.00 H new ATOM 1380 N LYS A 91 -9.947 1.118 -10.261 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.313 2.190 -9.505 1.00 0.00 C ATOM 1382 C LYS A 91 -7.822 1.945 -9.422 1.00 0.00 C ATOM 1383 O LYS A 91 -7.384 0.845 -9.100 1.00 0.00 O ATOM 1384 CB LYS A 91 -9.916 2.246 -8.111 1.00 0.00 C ATOM 1385 CG LYS A 91 -9.360 3.289 -7.187 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.274 4.630 -7.856 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.125 5.710 -6.820 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.921 7.054 -7.421 1.00 0.00 N1+ ATOM 0 H LYS A 91 -9.704 0.183 -9.934 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.483 3.143 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.989 2.413 -8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.786 1.270 -7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.990 3.364 -6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.369 2.986 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.426 4.651 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.169 4.807 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.014 5.729 -6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.281 5.473 -6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.824 7.761 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.058 7.047 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.738 7.295 -8.018 1.00 0.00 H new ATOM 1402 N THR A 92 -7.052 2.963 -9.714 1.00 0.00 N ATOM 1403 CA THR A 92 -5.603 2.825 -9.710 1.00 0.00 C ATOM 1404 C THR A 92 -5.040 3.247 -8.366 1.00 0.00 C ATOM 1405 O THR A 92 -5.152 4.405 -7.966 1.00 0.00 O ATOM 1406 CB THR A 92 -4.938 3.639 -10.820 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.895 3.933 -11.850 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.772 2.866 -11.420 1.00 0.00 C ATOM 0 H THR A 92 -7.393 3.893 -9.957 1.00 0.00 H new ATOM 0 HA THR A 92 -5.383 1.773 -9.892 1.00 0.00 H new ATOM 0 HB THR A 92 -4.565 4.569 -10.391 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.582 4.696 -12.380 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.309 3.459 -12.209 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.036 2.657 -10.644 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.135 1.927 -11.838 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.425 2.298 -7.693 1.00 0.00 N ATOM 1417 CA ILE A 93 -4.040 2.450 -6.302 1.00 0.00 C ATOM 1418 C ILE A 93 -2.567 2.837 -6.137 1.00 0.00 C ATOM 1419 O ILE A 93 -1.771 2.714 -7.068 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.303 1.133 -5.568 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.363 0.062 -6.131 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.774 0.737 -5.741 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.531 -1.296 -5.512 1.00 0.00 C ATOM 0 H ILE A 93 -4.176 1.394 -8.095 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.636 3.260 -5.880 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.109 1.241 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.526 -0.019 -7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.333 0.388 -5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.962 -0.201 -5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.412 1.518 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.995 0.612 -6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.828 -1.993 -5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.338 -1.234 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.549 -1.648 -5.677 1.00 0.00 H new ATOM 1435 N LYS A 94 -2.220 3.293 -4.939 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.862 3.722 -4.622 1.00 0.00 C ATOM 1437 C LYS A 94 -0.319 2.957 -3.428 1.00 0.00 C ATOM 1438 O LYS A 94 -0.638 3.278 -2.290 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.850 5.213 -4.282 1.00 0.00 C ATOM 1440 CG LYS A 94 0.404 5.676 -3.548 1.00 0.00 C ATOM 1441 CD LYS A 94 0.176 7.018 -2.864 1.00 0.00 C ATOM 1442 CE LYS A 94 0.957 7.128 -1.563 1.00 0.00 C ATOM 1443 NZ LYS A 94 2.424 7.075 -1.777 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.872 3.376 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.239 3.527 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.950 5.785 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.722 5.442 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.691 4.931 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.231 5.760 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.473 7.824 -3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.887 7.147 -2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.699 8.063 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.661 6.319 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.913 7.289 -0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.694 6.124 -2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.695 7.775 -2.497 1.00 0.00 H new ATOM 1457 N VAL A 95 0.499 1.961 -3.669 1.00 0.00 N ATOM 1458 CA VAL A 95 1.135 1.256 -2.573 1.00 0.00 C ATOM 1459 C VAL A 95 2.550 1.805 -2.366 1.00 0.00 C ATOM 1460 O VAL A 95 3.313 1.990 -3.314 1.00 0.00 O ATOM 1461 CB VAL A 95 1.132 -0.275 -2.784 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.302 -0.653 -3.996 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.531 -0.825 -2.884 1.00 0.00 C ATOM 0 H VAL A 95 0.740 1.621 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 95 0.556 1.431 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 95 0.671 -0.728 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.316 -1.735 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.725 -0.317 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.718 -0.178 -4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.488 -1.904 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.044 -0.363 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.075 -0.606 -1.965 1.00 0.00 H new ATOM 1473 N SER A 96 2.861 2.120 -1.128 1.00 0.00 N ATOM 1474 CA SER A 96 4.130 2.728 -0.767 1.00 0.00 C ATOM 1475 C SER A 96 4.429 2.395 0.683 1.00 0.00 C ATOM 1476 O SER A 96 3.542 1.973 1.406 1.00 0.00 O ATOM 1477 CB SER A 96 4.053 4.249 -0.950 1.00 0.00 C ATOM 1478 OG SER A 96 3.636 4.587 -2.268 1.00 0.00 O ATOM 0 H SER A 96 2.239 1.962 -0.336 1.00 0.00 H new ATOM 0 HA SER A 96 4.923 2.342 -1.408 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.356 4.671 -0.226 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.028 4.692 -0.749 1.00 0.00 H new ATOM 0 HG SER A 96 4.268 5.227 -2.657 1.00 0.00 H new ATOM 1484 N TYR A 97 5.667 2.569 1.107 1.00 0.00 N ATOM 1485 CA TYR A 97 6.027 2.302 2.493 1.00 0.00 C ATOM 1486 C TYR A 97 5.353 3.312 3.407 1.00 0.00 C ATOM 1487 O TYR A 97 5.732 4.484 3.430 1.00 0.00 O ATOM 1488 CB TYR A 97 7.540 2.377 2.698 1.00 0.00 C ATOM 1489 CG TYR A 97 8.359 1.634 1.666 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.388 0.242 1.629 1.00 0.00 C ATOM 1491 CD2 TYR A 97 9.122 2.330 0.737 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.155 -0.427 0.692 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.887 1.667 -0.201 1.00 0.00 C ATOM 1494 CZ TYR A 97 9.903 0.290 -0.219 1.00 0.00 C ATOM 1495 OH TYR A 97 10.665 -0.370 -1.153 1.00 0.00 O ATOM 0 H TYR A 97 6.436 2.891 0.520 1.00 0.00 H new ATOM 0 HA TYR A 97 5.691 1.294 2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.841 3.425 2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.779 1.980 3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.804 -0.322 2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.116 3.410 0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.168 -1.507 0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.471 2.226 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 97 11.128 0.283 -1.718 1.00 0.00 H new ATOM 1505 N ALA A 98 4.343 2.863 4.136 1.00 0.00 N ATOM 1506 CA ALA A 98 3.700 3.709 5.121 1.00 0.00 C ATOM 1507 C ALA A 98 4.676 3.931 6.261 1.00 0.00 C ATOM 1508 O ALA A 98 4.982 2.988 6.993 1.00 0.00 O ATOM 1509 CB ALA A 98 2.409 3.078 5.634 1.00 0.00 C ATOM 0 H ALA A 98 3.955 1.923 4.063 1.00 0.00 H new ATOM 0 HA ALA A 98 3.430 4.661 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.950 3.737 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.721 2.930 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.633 2.116 6.096 1.00 0.00 H new ATOM 1515 N ARG A 99 5.169 5.167 6.384 1.00 0.00 N ATOM 1516 CA ARG A 99 6.280 5.497 7.287 1.00 0.00 C ATOM 1517 C ARG A 99 6.186 4.762 8.627 1.00 0.00 C ATOM 1518 O ARG A 99 5.300 5.032 9.442 1.00 0.00 O ATOM 1519 CB ARG A 99 6.350 7.012 7.517 1.00 0.00 C ATOM 1520 CG ARG A 99 5.045 7.639 7.994 1.00 0.00 C ATOM 1521 CD ARG A 99 5.254 9.078 8.441 1.00 0.00 C ATOM 1522 NE ARG A 99 6.213 9.164 9.544 1.00 0.00 N ATOM 1523 CZ ARG A 99 6.642 10.304 10.079 1.00 0.00 C ATOM 1524 NH1 ARG A 99 6.201 11.468 9.622 1.00 0.00 N1+ ATOM 1525 NH2 ARG A 99 7.516 10.276 11.076 1.00 0.00 N ATOM 0 H ARG A 99 4.811 5.967 5.862 1.00 0.00 H new ATOM 0 HA ARG A 99 7.196 5.161 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.128 7.220 8.251 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.652 7.494 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.309 7.609 7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.639 7.055 8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.611 9.673 7.600 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.301 9.505 8.752 1.00 0.00 H new ATOM 0 HE ARG A 99 6.576 8.292 9.928 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.529 11.493 8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.534 12.338 10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.857 9.382 11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.847 11.148 11.489 1.00 0.00 H new ATOM 1539 N PRO A 100 7.088 3.785 8.845 1.00 0.00 N ATOM 1540 CA PRO A 100 7.141 3.004 10.086 1.00 0.00 C ATOM 1541 C PRO A 100 7.301 3.881 11.324 1.00 0.00 C ATOM 1542 O PRO A 100 8.063 4.853 11.314 1.00 0.00 O ATOM 1543 CB PRO A 100 8.372 2.115 9.896 1.00 0.00 C ATOM 1544 CG PRO A 100 8.534 2.006 8.424 1.00 0.00 C ATOM 1545 CD PRO A 100 8.104 3.331 7.874 1.00 0.00 C ATOM 0 HA PRO A 100 6.218 2.448 10.253 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.254 2.556 10.360 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.228 1.136 10.352 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.568 1.788 8.158 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.924 1.197 8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 100 8.938 4.029 7.808 1.00 0.00 H new ATOM 0 HD3 PRO A 100 7.688 3.235 6.871 1.00 0.00 H new ATOM 1553 N SER A 101 6.547 3.543 12.366 1.00 0.00 N ATOM 1554 CA SER A 101 6.577 4.236 13.621 1.00 0.00 C ATOM 1555 C SER A 101 8.000 4.376 14.167 1.00 0.00 C ATOM 1556 O SER A 101 8.574 3.358 14.619 1.00 0.00 O ATOM 1557 CB SER A 101 5.691 3.491 14.611 1.00 0.00 C ATOM 1558 OG SER A 101 4.413 3.232 14.047 1.00 0.00 O ATOM 1559 OXT SER A 101 8.534 5.505 14.147 1.00 0.00 O1- ATOM 0 H SER A 101 5.890 2.763 12.347 1.00 0.00 H new ATOM 0 HA SER A 101 6.201 5.248 13.470 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.165 2.552 14.895 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.579 4.080 15.521 1.00 0.00 H new ATOM 0 HG SER A 101 3.860 2.751 14.698 1.00 0.00 H new TER 1565 SER A 101