USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 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 21 ASN : amide:sc= -0.13 K(o=-0.5,f=-12!) USER MOD Set 1.2: A 27 SER OG : rot 80:sc= -0.374 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.25 (180deg=1.21) USER MOD Single : A 2 ASN : amide:sc=-0.00025 K(o=-0.00025,f=-0.73) USER MOD Single : A 5 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.69) USER MOD Single : A 8 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 15 HIS : no HD1:sc= 1.01 K(o=1,f=-5.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0896) USER MOD Single : A 25 LYS NZ :NH3+ -142:sc= 0.682 (180deg=-0.0482) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 1 (180deg=-0.117) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0198 F(o=-1.8!,f=-0.02) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -148:sc= 1.02 (180deg=0.0127) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= 2.15 (180deg=1.73) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -15:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 71 HIS : no HD1:sc= 0.787 K(o=0.79,f=-8.1!) USER MOD Single : A 80 GLN : amide:sc= -0.958 K(o=-0.96,f=-4.6!) USER MOD Single : A 84 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.6!) USER MOD Single : A 85 HIS : no HE2:sc= 0.218 K(o=0.22,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.277 -1.399 -12.219 1.00 53.43 N ATOM 2 CA MET A 1 -8.070 -2.661 -12.959 1.00 62.34 C ATOM 3 C MET A 1 -8.775 -3.788 -12.199 1.00 34.33 C ATOM 4 O MET A 1 -9.625 -3.515 -11.345 1.00 1.23 O ATOM 5 CB MET A 1 -6.556 -2.915 -13.102 1.00 24.11 C ATOM 6 CG MET A 1 -6.180 -4.061 -14.029 1.00 61.44 C ATOM 7 SD MET A 1 -6.892 -3.891 -15.676 1.00 12.53 S ATOM 8 CE MET A 1 -6.257 -5.367 -16.470 1.00 21.23 C ATOM 0 H1 MET A 1 -7.970 -0.598 -12.807 1.00 53.43 H new ATOM 0 H2 MET A 1 -9.286 -1.293 -11.988 1.00 53.43 H new ATOM 0 H3 MET A 1 -7.721 -1.417 -11.340 1.00 53.43 H new ATOM 0 HA MET A 1 -8.493 -2.609 -13.962 1.00 62.34 H new ATOM 0 HB2 MET A 1 -6.083 -2.003 -13.466 1.00 24.11 H new ATOM 0 HB3 MET A 1 -6.142 -3.116 -12.114 1.00 24.11 H new ATOM 0 HG2 MET A 1 -5.094 -4.114 -14.111 1.00 61.44 H new ATOM 0 HG3 MET A 1 -6.513 -5.001 -13.590 1.00 61.44 H new ATOM 0 HE1 MET A 1 -6.611 -5.407 -17.500 1.00 21.23 H new ATOM 0 HE2 MET A 1 -5.167 -5.345 -16.461 1.00 21.23 H new ATOM 0 HE3 MET A 1 -6.606 -6.248 -15.932 1.00 21.23 H new ATOM 20 N ASN A 2 -8.473 -5.038 -12.524 1.00 55.20 N ATOM 21 CA ASN A 2 -8.991 -6.167 -11.762 1.00 5.21 C ATOM 22 C ASN A 2 -8.297 -6.202 -10.410 1.00 72.43 C ATOM 23 O ASN A 2 -7.128 -6.577 -10.320 1.00 54.13 O ATOM 24 CB ASN A 2 -8.775 -7.477 -12.529 1.00 3.45 C ATOM 25 CG ASN A 2 -9.584 -7.524 -13.814 1.00 23.53 C ATOM 26 OD1 ASN A 2 -10.702 -7.015 -13.872 1.00 20.42 O ATOM 27 ND2 ASN A 2 -9.016 -8.104 -14.861 1.00 4.41 N ATOM 0 H ASN A 2 -7.874 -5.296 -13.308 1.00 55.20 H new ATOM 0 HA ASN A 2 -10.064 -6.051 -11.611 1.00 5.21 H new ATOM 0 HB2 ASN A 2 -7.716 -7.590 -12.763 1.00 3.45 H new ATOM 0 HB3 ASN A 2 -9.053 -8.319 -11.895 1.00 3.45 H new ATOM 0 HD21 ASN A 2 -9.508 -8.139 -15.754 1.00 4.41 H new ATOM 0 HD22 ASN A 2 -8.087 -8.516 -14.774 1.00 4.41 H new ATOM 34 N VAL A 3 -9.053 -5.857 -9.369 1.00 1.13 N ATOM 35 CA VAL A 3 -8.504 -5.438 -8.073 1.00 15.02 C ATOM 36 C VAL A 3 -7.450 -6.393 -7.510 1.00 52.41 C ATOM 37 O VAL A 3 -6.488 -5.950 -6.884 1.00 4.35 O ATOM 38 CB VAL A 3 -9.633 -5.237 -7.037 1.00 23.45 C ATOM 39 CG1 VAL A 3 -10.357 -6.542 -6.740 1.00 73.44 C ATOM 40 CG2 VAL A 3 -9.098 -4.612 -5.754 1.00 15.13 C ATOM 0 H VAL A 3 -10.073 -5.859 -9.398 1.00 1.13 H new ATOM 0 HA VAL A 3 -7.999 -4.491 -8.262 1.00 15.02 H new ATOM 0 HB VAL A 3 -10.356 -4.548 -7.474 1.00 23.45 H new ATOM 0 HG11 VAL A 3 -11.144 -6.363 -6.008 1.00 73.44 H new ATOM 0 HG12 VAL A 3 -10.797 -6.931 -7.658 1.00 73.44 H new ATOM 0 HG13 VAL A 3 -9.649 -7.268 -6.341 1.00 73.44 H new ATOM 0 HG21 VAL A 3 -9.915 -4.483 -5.044 1.00 15.13 H new ATOM 0 HG22 VAL A 3 -8.340 -5.264 -5.320 1.00 15.13 H new ATOM 0 HG23 VAL A 3 -8.656 -3.641 -5.979 1.00 15.13 H new ATOM 50 N ASP A 4 -7.612 -7.684 -7.746 1.00 74.34 N ATOM 51 CA ASP A 4 -6.659 -8.675 -7.251 1.00 62.41 C ATOM 52 C ASP A 4 -5.245 -8.393 -7.754 1.00 60.22 C ATOM 53 O ASP A 4 -4.263 -8.706 -7.081 1.00 50.02 O ATOM 54 CB ASP A 4 -7.084 -10.087 -7.658 1.00 20.34 C ATOM 55 CG ASP A 4 -8.228 -10.613 -6.817 1.00 62.05 C ATOM 56 OD1 ASP A 4 -9.385 -10.199 -7.047 1.00 64.55 O ATOM 57 OD2 ASP A 4 -7.978 -11.441 -5.922 1.00 4.43 O ATOM 0 H ASP A 4 -8.391 -8.074 -8.276 1.00 74.34 H new ATOM 0 HA ASP A 4 -6.654 -8.605 -6.163 1.00 62.41 H new ATOM 0 HB2 ASP A 4 -7.379 -10.086 -8.707 1.00 20.34 H new ATOM 0 HB3 ASP A 4 -6.231 -10.760 -7.567 1.00 20.34 H new ATOM 62 N HIS A 5 -5.141 -7.787 -8.929 1.00 14.02 N ATOM 63 CA HIS A 5 -3.844 -7.506 -9.524 1.00 21.23 C ATOM 64 C HIS A 5 -3.197 -6.258 -8.937 1.00 44.03 C ATOM 65 O HIS A 5 -2.001 -6.275 -8.648 1.00 71.35 O ATOM 66 CB HIS A 5 -3.935 -7.412 -11.046 1.00 52.33 C ATOM 67 CG HIS A 5 -3.876 -8.753 -11.715 1.00 65.02 C ATOM 68 ND1 HIS A 5 -3.263 -9.852 -11.142 1.00 74.42 N ATOM 69 CD2 HIS A 5 -4.339 -9.171 -12.915 1.00 31.12 C ATOM 70 CE1 HIS A 5 -3.353 -10.882 -11.962 1.00 73.12 C ATOM 71 NE2 HIS A 5 -4.002 -10.496 -13.042 1.00 63.05 N ATOM 0 H HIS A 5 -5.938 -7.482 -9.487 1.00 14.02 H new ATOM 0 HA HIS A 5 -3.198 -8.349 -9.277 1.00 21.23 H new ATOM 0 HB2 HIS A 5 -4.866 -6.915 -11.320 1.00 52.33 H new ATOM 0 HB3 HIS A 5 -3.120 -6.790 -11.417 1.00 52.33 H new ATOM 0 HD2 HIS A 5 -4.874 -8.574 -13.639 1.00 31.12 H new ATOM 0 HE1 HIS A 5 -2.962 -11.872 -11.779 1.00 73.12 H new ATOM 0 HE2 HIS A 5 -4.219 -11.087 -13.844 1.00 63.05 H new ATOM 80 N GLU A 6 -3.957 -5.176 -8.757 1.00 60.51 N ATOM 81 CA GLU A 6 -3.405 -3.988 -8.106 1.00 4.40 C ATOM 82 C GLU A 6 -3.001 -4.290 -6.668 1.00 33.13 C ATOM 83 O GLU A 6 -2.091 -3.664 -6.139 1.00 10.04 O ATOM 84 CB GLU A 6 -4.346 -2.773 -8.156 1.00 12.01 C ATOM 85 CG GLU A 6 -5.826 -3.095 -8.128 1.00 24.10 C ATOM 86 CD GLU A 6 -6.428 -3.108 -9.516 1.00 42.42 C ATOM 87 OE1 GLU A 6 -6.122 -4.042 -10.280 1.00 23.13 O ATOM 88 OE2 GLU A 6 -7.205 -2.180 -9.845 1.00 10.12 O ATOM 0 H GLU A 6 -4.932 -5.097 -9.045 1.00 60.51 H new ATOM 0 HA GLU A 6 -2.517 -3.718 -8.678 1.00 4.40 H new ATOM 0 HB2 GLU A 6 -4.117 -2.123 -7.312 1.00 12.01 H new ATOM 0 HB3 GLU A 6 -4.132 -2.206 -9.062 1.00 12.01 H new ATOM 0 HG2 GLU A 6 -5.977 -4.067 -7.658 1.00 24.10 H new ATOM 0 HG3 GLU A 6 -6.346 -2.360 -7.514 1.00 24.10 H new ATOM 95 N VAL A 7 -3.672 -5.249 -6.035 1.00 61.32 N ATOM 96 CA VAL A 7 -3.269 -5.700 -4.705 1.00 52.12 C ATOM 97 C VAL A 7 -1.860 -6.301 -4.749 1.00 55.51 C ATOM 98 O VAL A 7 -1.023 -6.006 -3.895 1.00 31.00 O ATOM 99 CB VAL A 7 -4.252 -6.738 -4.121 1.00 73.41 C ATOM 100 CG1 VAL A 7 -3.763 -7.249 -2.773 1.00 61.42 C ATOM 101 CG2 VAL A 7 -5.643 -6.136 -3.982 1.00 34.53 C ATOM 0 H VAL A 7 -4.489 -5.725 -6.417 1.00 61.32 H new ATOM 0 HA VAL A 7 -3.277 -4.825 -4.055 1.00 52.12 H new ATOM 0 HB VAL A 7 -4.303 -7.581 -4.810 1.00 73.41 H new ATOM 0 HG11 VAL A 7 -4.472 -7.979 -2.382 1.00 61.42 H new ATOM 0 HG12 VAL A 7 -2.787 -7.720 -2.894 1.00 61.42 H new ATOM 0 HG13 VAL A 7 -3.679 -6.415 -2.076 1.00 61.42 H new ATOM 0 HG21 VAL A 7 -6.323 -6.882 -3.569 1.00 34.53 H new ATOM 0 HG22 VAL A 7 -5.602 -5.274 -3.316 1.00 34.53 H new ATOM 0 HG23 VAL A 7 -6.002 -5.821 -4.961 1.00 34.53 H new ATOM 111 N ASN A 8 -1.600 -7.134 -5.756 1.00 40.12 N ATOM 112 CA ASN A 8 -0.271 -7.724 -5.938 1.00 14.24 C ATOM 113 C ASN A 8 0.730 -6.652 -6.337 1.00 60.10 C ATOM 114 O ASN A 8 1.891 -6.689 -5.939 1.00 30.32 O ATOM 115 CB ASN A 8 -0.293 -8.820 -7.012 1.00 41.45 C ATOM 116 CG ASN A 8 -1.165 -10.007 -6.652 1.00 21.21 C ATOM 117 OD1 ASN A 8 -1.277 -10.302 -5.365 1.00 23.35 O flip ATOM 118 ND2 ASN A 8 -1.725 -10.664 -7.530 1.00 25.21 N flip ATOM 0 H ASN A 8 -2.287 -7.415 -6.456 1.00 40.12 H new ATOM 0 HA ASN A 8 0.026 -8.170 -4.989 1.00 14.24 H new ATOM 0 HB2 ASN A 8 -0.647 -8.391 -7.949 1.00 41.45 H new ATOM 0 HB3 ASN A 8 0.725 -9.168 -7.185 1.00 41.45 H new ATOM 0 HD21 ASN A 8 -1.614 -10.405 -8.510 1.00 25.21 H new ATOM 0 HD22 ASN A 8 -2.300 -11.468 -7.277 1.00 25.21 H new ATOM 125 N LEU A 9 0.268 -5.699 -7.130 1.00 44.23 N ATOM 126 CA LEU A 9 1.087 -4.572 -7.533 1.00 70.41 C ATOM 127 C LEU A 9 1.476 -3.744 -6.310 1.00 63.21 C ATOM 128 O LEU A 9 2.627 -3.351 -6.152 1.00 53.03 O ATOM 129 CB LEU A 9 0.314 -3.719 -8.538 1.00 63.14 C ATOM 130 CG LEU A 9 1.023 -2.456 -9.011 1.00 32.45 C ATOM 131 CD1 LEU A 9 2.281 -2.798 -9.794 1.00 3.22 C ATOM 132 CD2 LEU A 9 0.077 -1.615 -9.852 1.00 63.03 C ATOM 0 H LEU A 9 -0.679 -5.686 -7.509 1.00 44.23 H new ATOM 0 HA LEU A 9 2.001 -4.934 -8.004 1.00 70.41 H new ATOM 0 HB2 LEU A 9 0.085 -4.333 -9.409 1.00 63.14 H new ATOM 0 HB3 LEU A 9 -0.638 -3.434 -8.090 1.00 63.14 H new ATOM 0 HG LEU A 9 1.324 -1.879 -8.137 1.00 32.45 H new ATOM 0 HD11 LEU A 9 2.768 -1.879 -10.120 1.00 3.22 H new ATOM 0 HD12 LEU A 9 2.962 -3.364 -9.159 1.00 3.22 H new ATOM 0 HD13 LEU A 9 2.016 -3.397 -10.665 1.00 3.22 H new ATOM 0 HD21 LEU A 9 0.591 -0.714 -10.186 1.00 63.03 H new ATOM 0 HD22 LEU A 9 -0.248 -2.190 -10.719 1.00 63.03 H new ATOM 0 HD23 LEU A 9 -0.791 -1.337 -9.255 1.00 63.03 H new ATOM 144 N LEU A 10 0.501 -3.519 -5.440 1.00 42.35 N ATOM 145 CA LEU A 10 0.702 -2.765 -4.213 1.00 51.30 C ATOM 146 C LEU A 10 1.792 -3.400 -3.358 1.00 43.13 C ATOM 147 O LEU A 10 2.751 -2.738 -2.965 1.00 1.24 O ATOM 148 CB LEU A 10 -0.614 -2.701 -3.425 1.00 3.54 C ATOM 149 CG LEU A 10 -0.570 -1.892 -2.128 1.00 31.15 C ATOM 150 CD1 LEU A 10 -0.312 -0.422 -2.420 1.00 54.54 C ATOM 151 CD2 LEU A 10 -1.868 -2.066 -1.352 1.00 50.43 C ATOM 0 H LEU A 10 -0.453 -3.856 -5.567 1.00 42.35 H new ATOM 0 HA LEU A 10 1.019 -1.755 -4.474 1.00 51.30 H new ATOM 0 HB2 LEU A 10 -1.383 -2.277 -4.071 1.00 3.54 H new ATOM 0 HB3 LEU A 10 -0.924 -3.719 -3.187 1.00 3.54 H new ATOM 0 HG LEU A 10 0.251 -2.265 -1.516 1.00 31.15 H new ATOM 0 HD11 LEU A 10 -0.285 0.136 -1.484 1.00 54.54 H new ATOM 0 HD12 LEU A 10 0.643 -0.315 -2.934 1.00 54.54 H new ATOM 0 HD13 LEU A 10 -1.110 -0.031 -3.052 1.00 54.54 H new ATOM 0 HD21 LEU A 10 -1.822 -1.484 -0.431 1.00 50.43 H new ATOM 0 HD22 LEU A 10 -2.704 -1.719 -1.959 1.00 50.43 H new ATOM 0 HD23 LEU A 10 -2.008 -3.119 -1.109 1.00 50.43 H new ATOM 163 N VAL A 11 1.658 -4.695 -3.097 1.00 73.45 N ATOM 164 CA VAL A 11 2.607 -5.402 -2.243 1.00 24.14 C ATOM 165 C VAL A 11 3.987 -5.492 -2.896 1.00 64.12 C ATOM 166 O VAL A 11 5.009 -5.511 -2.205 1.00 55.35 O ATOM 167 CB VAL A 11 2.099 -6.812 -1.860 1.00 14.53 C ATOM 168 CG1 VAL A 11 0.831 -6.708 -1.029 1.00 21.32 C ATOM 169 CG2 VAL A 11 1.861 -7.667 -3.089 1.00 22.11 C ATOM 0 H VAL A 11 0.904 -5.276 -3.463 1.00 73.45 H new ATOM 0 HA VAL A 11 2.699 -4.819 -1.326 1.00 24.14 H new ATOM 0 HB VAL A 11 2.872 -7.297 -1.264 1.00 14.53 H new ATOM 0 HG11 VAL A 11 0.485 -7.708 -0.767 1.00 21.32 H new ATOM 0 HG12 VAL A 11 1.038 -6.145 -0.119 1.00 21.32 H new ATOM 0 HG13 VAL A 11 0.060 -6.196 -1.605 1.00 21.32 H new ATOM 0 HG21 VAL A 11 1.505 -8.651 -2.784 1.00 22.11 H new ATOM 0 HG22 VAL A 11 1.114 -7.191 -3.724 1.00 22.11 H new ATOM 0 HG23 VAL A 11 2.793 -7.774 -3.644 1.00 22.11 H new ATOM 179 N GLU A 12 4.017 -5.530 -4.225 1.00 65.03 N ATOM 180 CA GLU A 12 5.268 -5.543 -4.955 1.00 3.23 C ATOM 181 C GLU A 12 5.960 -4.184 -4.829 1.00 55.01 C ATOM 182 O GLU A 12 7.178 -4.112 -4.646 1.00 21.20 O ATOM 183 CB GLU A 12 5.024 -5.880 -6.426 1.00 45.45 C ATOM 184 CG GLU A 12 6.284 -6.292 -7.159 1.00 25.41 C ATOM 185 CD GLU A 12 6.053 -6.563 -8.632 1.00 55.44 C ATOM 186 OE1 GLU A 12 5.314 -7.513 -8.961 1.00 42.42 O ATOM 187 OE2 GLU A 12 6.614 -5.827 -9.471 1.00 63.13 O ATOM 0 H GLU A 12 3.184 -5.552 -4.814 1.00 65.03 H new ATOM 0 HA GLU A 12 5.915 -6.310 -4.529 1.00 3.23 H new ATOM 0 HB2 GLU A 12 4.293 -6.686 -6.491 1.00 45.45 H new ATOM 0 HB3 GLU A 12 4.588 -5.013 -6.924 1.00 45.45 H new ATOM 0 HG2 GLU A 12 7.032 -5.506 -7.053 1.00 25.41 H new ATOM 0 HG3 GLU A 12 6.693 -7.187 -6.691 1.00 25.41 H new ATOM 194 N GLU A 13 5.176 -3.110 -4.899 1.00 34.42 N ATOM 195 CA GLU A 13 5.712 -1.761 -4.757 1.00 61.24 C ATOM 196 C GLU A 13 6.156 -1.496 -3.322 1.00 44.12 C ATOM 197 O GLU A 13 7.139 -0.797 -3.093 1.00 4.42 O ATOM 198 CB GLU A 13 4.683 -0.712 -5.181 1.00 44.45 C ATOM 199 CG GLU A 13 4.317 -0.773 -6.656 1.00 22.23 C ATOM 200 CD GLU A 13 5.525 -0.943 -7.554 1.00 62.34 C ATOM 201 OE1 GLU A 13 6.507 -0.185 -7.405 1.00 43.44 O ATOM 202 OE2 GLU A 13 5.508 -1.850 -8.410 1.00 1.43 O ATOM 0 H GLU A 13 4.168 -3.149 -5.053 1.00 34.42 H new ATOM 0 HA GLU A 13 6.580 -1.685 -5.413 1.00 61.24 H new ATOM 0 HB2 GLU A 13 3.779 -0.842 -4.586 1.00 44.45 H new ATOM 0 HB3 GLU A 13 5.074 0.280 -4.954 1.00 44.45 H new ATOM 0 HG2 GLU A 13 3.628 -1.601 -6.821 1.00 22.23 H new ATOM 0 HG3 GLU A 13 3.790 0.140 -6.933 1.00 22.23 H new ATOM 209 N ILE A 14 5.433 -2.051 -2.358 1.00 1.02 N ATOM 210 CA ILE A 14 5.819 -1.926 -0.955 1.00 15.22 C ATOM 211 C ILE A 14 7.172 -2.594 -0.719 1.00 22.23 C ATOM 212 O ILE A 14 7.977 -2.127 0.083 1.00 35.21 O ATOM 213 CB ILE A 14 4.752 -2.528 -0.014 1.00 74.41 C ATOM 214 CG1 ILE A 14 3.439 -1.756 -0.165 1.00 44.42 C ATOM 215 CG2 ILE A 14 5.228 -2.486 1.437 1.00 24.42 C ATOM 216 CD1 ILE A 14 2.263 -2.408 0.520 1.00 22.21 C ATOM 0 H ILE A 14 4.581 -2.589 -2.518 1.00 1.02 H new ATOM 0 HA ILE A 14 5.899 -0.863 -0.726 1.00 15.22 H new ATOM 0 HB ILE A 14 4.589 -3.570 -0.288 1.00 74.41 H new ATOM 0 HG12 ILE A 14 3.571 -0.752 0.239 1.00 44.42 H new ATOM 0 HG13 ILE A 14 3.214 -1.646 -1.226 1.00 44.42 H new ATOM 0 HG21 ILE A 14 4.462 -2.915 2.084 1.00 24.42 H new ATOM 0 HG22 ILE A 14 6.149 -3.061 1.535 1.00 24.42 H new ATOM 0 HG23 ILE A 14 5.413 -1.452 1.729 1.00 24.42 H new ATOM 0 HD11 ILE A 14 1.371 -1.801 0.367 1.00 22.21 H new ATOM 0 HD12 ILE A 14 2.103 -3.401 0.101 1.00 22.21 H new ATOM 0 HD13 ILE A 14 2.465 -2.493 1.588 1.00 22.21 H new ATOM 228 N HIS A 15 7.424 -3.678 -1.442 1.00 33.34 N ATOM 229 CA HIS A 15 8.726 -4.337 -1.401 1.00 44.35 C ATOM 230 C HIS A 15 9.795 -3.489 -2.089 1.00 62.40 C ATOM 231 O HIS A 15 10.963 -3.515 -1.703 1.00 31.35 O ATOM 232 CB HIS A 15 8.662 -5.709 -2.074 1.00 14.52 C ATOM 233 CG HIS A 15 8.384 -6.837 -1.134 1.00 43.15 C ATOM 234 ND1 HIS A 15 9.379 -7.622 -0.598 1.00 2.34 N ATOM 235 CD2 HIS A 15 7.221 -7.320 -0.639 1.00 41.32 C ATOM 236 CE1 HIS A 15 8.844 -8.537 0.183 1.00 23.24 C ATOM 237 NE2 HIS A 15 7.534 -8.378 0.178 1.00 34.42 N ATOM 0 H HIS A 15 6.746 -4.120 -2.063 1.00 33.34 H new ATOM 0 HA HIS A 15 8.994 -4.462 -0.352 1.00 44.35 H new ATOM 0 HB2 HIS A 15 7.888 -5.690 -2.841 1.00 14.52 H new ATOM 0 HB3 HIS A 15 9.608 -5.898 -2.581 1.00 14.52 H new ATOM 0 HD2 HIS A 15 6.231 -6.943 -0.848 1.00 41.32 H new ATOM 0 HE1 HIS A 15 9.386 -9.291 0.735 1.00 23.24 H new ATOM 0 HE2 HIS A 15 6.864 -8.947 0.696 1.00 34.42 H new ATOM 246 N ARG A 16 9.387 -2.742 -3.109 1.00 32.20 N ATOM 247 CA ARG A 16 10.328 -1.988 -3.930 1.00 11.04 C ATOM 248 C ARG A 16 10.703 -0.659 -3.278 1.00 65.32 C ATOM 249 O ARG A 16 11.878 -0.314 -3.178 1.00 45.03 O ATOM 250 CB ARG A 16 9.725 -1.727 -5.312 1.00 24.33 C ATOM 251 CG ARG A 16 10.762 -1.492 -6.398 1.00 50.05 C ATOM 252 CD ARG A 16 10.125 -1.027 -7.701 1.00 31.33 C ATOM 253 NE ARG A 16 8.863 -1.711 -7.984 1.00 21.42 N ATOM 254 CZ ARG A 16 8.759 -2.904 -8.575 1.00 53.52 C ATOM 255 NH1 ARG A 16 9.844 -3.583 -8.943 1.00 61.22 N ATOM 256 NH2 ARG A 16 7.558 -3.412 -8.802 1.00 53.00 N ATOM 0 H ARG A 16 8.411 -2.642 -3.387 1.00 32.20 H new ATOM 0 HA ARG A 16 11.234 -2.586 -4.029 1.00 11.04 H new ATOM 0 HB2 ARG A 16 9.104 -2.577 -5.594 1.00 24.33 H new ATOM 0 HB3 ARG A 16 9.069 -0.858 -5.254 1.00 24.33 H new ATOM 0 HG2 ARG A 16 11.480 -0.746 -6.059 1.00 50.05 H new ATOM 0 HG3 ARG A 16 11.318 -2.413 -6.574 1.00 50.05 H new ATOM 0 HD2 ARG A 16 9.949 0.048 -7.652 1.00 31.33 H new ATOM 0 HD3 ARG A 16 10.820 -1.199 -8.523 1.00 31.33 H new ATOM 0 HE ARG A 16 7.999 -1.242 -7.710 1.00 21.42 H new ATOM 0 HH11 ARG A 16 10.771 -3.193 -8.774 1.00 61.22 H new ATOM 0 HH12 ARG A 16 9.748 -4.493 -9.393 1.00 61.22 H new ATOM 0 HH21 ARG A 16 6.724 -2.893 -8.526 1.00 53.00 H new ATOM 0 HH22 ARG A 16 7.466 -4.322 -9.253 1.00 53.00 H new ATOM 270 N LEU A 17 9.699 0.082 -2.835 1.00 44.13 N ATOM 271 CA LEU A 17 9.914 1.411 -2.273 1.00 51.50 C ATOM 272 C LEU A 17 10.097 1.346 -0.764 1.00 42.45 C ATOM 273 O LEU A 17 10.770 2.196 -0.175 1.00 40.13 O ATOM 274 CB LEU A 17 8.738 2.343 -2.603 1.00 33.23 C ATOM 275 CG LEU A 17 8.636 2.820 -4.059 1.00 3.41 C ATOM 276 CD1 LEU A 17 8.218 1.687 -4.984 1.00 72.43 C ATOM 277 CD2 LEU A 17 7.655 3.976 -4.164 1.00 21.20 C ATOM 0 H LEU A 17 8.723 -0.214 -2.853 1.00 44.13 H new ATOM 0 HA LEU A 17 10.824 1.809 -2.723 1.00 51.50 H new ATOM 0 HB2 LEU A 17 7.812 1.829 -2.346 1.00 33.23 H new ATOM 0 HB3 LEU A 17 8.806 3.220 -1.960 1.00 33.23 H new ATOM 0 HG LEU A 17 9.623 3.161 -4.372 1.00 3.41 H new ATOM 0 HD11 LEU A 17 8.155 2.057 -6.007 1.00 72.43 H new ATOM 0 HD12 LEU A 17 8.955 0.885 -4.933 1.00 72.43 H new ATOM 0 HD13 LEU A 17 7.245 1.306 -4.675 1.00 72.43 H new ATOM 0 HD21 LEU A 17 7.591 4.306 -5.201 1.00 21.20 H new ATOM 0 HD22 LEU A 17 6.671 3.650 -3.825 1.00 21.20 H new ATOM 0 HD23 LEU A 17 7.998 4.802 -3.541 1.00 21.20 H new ATOM 289 N GLY A 18 9.511 0.330 -0.147 1.00 70.41 N ATOM 290 CA GLY A 18 9.517 0.232 1.294 1.00 22.23 C ATOM 291 C GLY A 18 10.792 -0.363 1.839 1.00 53.15 C ATOM 292 O GLY A 18 11.637 -0.851 1.088 1.00 45.42 O ATOM 0 H GLY A 18 9.029 -0.432 -0.624 1.00 70.41 H new ATOM 0 HA2 GLY A 18 9.374 1.225 1.721 1.00 22.23 H new ATOM 0 HA3 GLY A 18 8.672 -0.377 1.615 1.00 22.23 H new ATOM 296 N SER A 19 10.921 -0.320 3.147 1.00 41.12 N ATOM 297 CA SER A 19 12.092 -0.830 3.829 1.00 71.14 C ATOM 298 C SER A 19 11.652 -1.655 5.031 1.00 64.21 C ATOM 299 O SER A 19 10.532 -1.489 5.520 1.00 51.41 O ATOM 300 CB SER A 19 12.989 0.335 4.267 1.00 20.31 C ATOM 301 OG SER A 19 14.213 -0.122 4.822 1.00 71.31 O ATOM 0 H SER A 19 10.215 0.071 3.770 1.00 41.12 H new ATOM 0 HA SER A 19 12.665 -1.466 3.155 1.00 71.14 H new ATOM 0 HB2 SER A 19 13.195 0.977 3.410 1.00 20.31 H new ATOM 0 HB3 SER A 19 12.462 0.944 5.002 1.00 20.31 H new ATOM 0 HG SER A 19 14.759 0.647 5.088 1.00 71.31 H new ATOM 307 N LYS A 20 12.507 -2.555 5.486 1.00 43.34 N ATOM 308 CA LYS A 20 12.189 -3.376 6.641 1.00 23.10 C ATOM 309 C LYS A 20 12.352 -2.582 7.920 1.00 54.30 C ATOM 310 O LYS A 20 13.336 -1.864 8.107 1.00 3.24 O ATOM 311 CB LYS A 20 13.067 -4.623 6.691 1.00 20.15 C ATOM 312 CG LYS A 20 12.767 -5.615 5.590 1.00 32.33 C ATOM 313 CD LYS A 20 13.683 -6.823 5.665 1.00 22.20 C ATOM 314 CE LYS A 20 13.404 -7.798 4.539 1.00 51.22 C ATOM 315 NZ LYS A 20 13.811 -7.254 3.218 1.00 63.13 N ATOM 0 H LYS A 20 13.423 -2.735 5.075 1.00 43.34 H new ATOM 0 HA LYS A 20 11.150 -3.690 6.546 1.00 23.10 H new ATOM 0 HB2 LYS A 20 14.113 -4.324 6.625 1.00 20.15 H new ATOM 0 HB3 LYS A 20 12.935 -5.112 7.656 1.00 20.15 H new ATOM 0 HG2 LYS A 20 11.729 -5.939 5.664 1.00 32.33 H new ATOM 0 HG3 LYS A 20 12.881 -5.130 4.621 1.00 32.33 H new ATOM 0 HD2 LYS A 20 14.722 -6.497 5.617 1.00 22.20 H new ATOM 0 HD3 LYS A 20 13.550 -7.324 6.624 1.00 22.20 H new ATOM 0 HE2 LYS A 20 13.936 -8.730 4.727 1.00 51.22 H new ATOM 0 HE3 LYS A 20 12.341 -8.036 4.521 1.00 51.22 H new ATOM 0 HZ1 LYS A 20 13.763 -8.007 2.503 1.00 63.13 H new ATOM 0 HZ2 LYS A 20 13.171 -6.480 2.949 1.00 63.13 H new ATOM 0 HZ3 LYS A 20 14.785 -6.894 3.276 1.00 63.13 H new ATOM 329 N ASN A 21 11.367 -2.711 8.783 1.00 0.45 N ATOM 330 CA ASN A 21 11.391 -2.052 10.076 1.00 51.15 C ATOM 331 C ASN A 21 12.101 -2.927 11.101 1.00 52.24 C ATOM 332 O ASN A 21 12.631 -3.986 10.761 1.00 74.32 O ATOM 333 CB ASN A 21 9.969 -1.709 10.543 1.00 61.13 C ATOM 334 CG ASN A 21 9.026 -2.903 10.579 1.00 4.31 C ATOM 335 OD1 ASN A 21 9.441 -4.046 10.746 1.00 14.24 O ATOM 336 ND2 ASN A 21 7.736 -2.636 10.439 1.00 1.22 N ATOM 0 H ASN A 21 10.532 -3.271 8.612 1.00 0.45 H new ATOM 0 HA ASN A 21 11.944 -1.118 9.976 1.00 51.15 H new ATOM 0 HB2 ASN A 21 10.021 -1.269 11.539 1.00 61.13 H new ATOM 0 HB3 ASN A 21 9.553 -0.950 9.881 1.00 61.13 H new ATOM 0 HD21 ASN A 21 7.052 -3.393 10.468 1.00 1.22 H new ATOM 0 HD22 ASN A 21 7.426 -1.674 10.302 1.00 1.22 H new ATOM 343 N ALA A 22 12.093 -2.492 12.354 1.00 45.02 N ATOM 344 CA ALA A 22 12.777 -3.215 13.421 1.00 40.51 C ATOM 345 C ALA A 22 12.116 -4.565 13.704 1.00 54.40 C ATOM 346 O ALA A 22 12.694 -5.422 14.375 1.00 24.42 O ATOM 347 CB ALA A 22 12.814 -2.368 14.681 1.00 74.13 C ATOM 0 H ALA A 22 11.620 -1.641 12.658 1.00 45.02 H new ATOM 0 HA ALA A 22 13.797 -3.413 13.091 1.00 40.51 H new ATOM 0 HB1 ALA A 22 13.326 -2.915 15.472 1.00 74.13 H new ATOM 0 HB2 ALA A 22 13.347 -1.439 14.479 1.00 74.13 H new ATOM 0 HB3 ALA A 22 11.796 -2.141 14.997 1.00 74.13 H new ATOM 353 N ASP A 23 10.905 -4.748 13.191 1.00 12.15 N ATOM 354 CA ASP A 23 10.180 -6.001 13.361 1.00 54.42 C ATOM 355 C ASP A 23 10.517 -6.965 12.225 1.00 45.11 C ATOM 356 O ASP A 23 10.300 -8.172 12.326 1.00 71.04 O ATOM 357 CB ASP A 23 8.673 -5.732 13.388 1.00 5.13 C ATOM 358 CG ASP A 23 7.870 -6.931 13.849 1.00 64.11 C ATOM 359 OD1 ASP A 23 7.625 -7.841 13.033 1.00 23.53 O ATOM 360 OD2 ASP A 23 7.467 -6.956 15.032 1.00 21.42 O ATOM 0 H ASP A 23 10.403 -4.042 12.652 1.00 12.15 H new ATOM 0 HA ASP A 23 10.479 -6.454 14.306 1.00 54.42 H new ATOM 0 HB2 ASP A 23 8.471 -4.889 14.049 1.00 5.13 H new ATOM 0 HB3 ASP A 23 8.343 -5.441 12.391 1.00 5.13 H new ATOM 365 N GLY A 24 11.077 -6.424 11.152 1.00 15.11 N ATOM 366 CA GLY A 24 11.403 -7.233 9.997 1.00 31.13 C ATOM 367 C GLY A 24 10.321 -7.190 8.932 1.00 63.31 C ATOM 368 O GLY A 24 10.398 -7.902 7.930 1.00 15.24 O ATOM 0 H GLY A 24 11.312 -5.435 11.062 1.00 15.11 H new ATOM 0 HA2 GLY A 24 12.344 -6.887 9.569 1.00 31.13 H new ATOM 0 HA3 GLY A 24 11.557 -8.265 10.312 1.00 31.13 H new ATOM 372 N LYS A 25 9.316 -6.351 9.143 1.00 53.51 N ATOM 373 CA LYS A 25 8.232 -6.206 8.178 1.00 53.45 C ATOM 374 C LYS A 25 8.560 -5.087 7.201 1.00 33.22 C ATOM 375 O LYS A 25 9.287 -4.155 7.544 1.00 0.20 O ATOM 376 CB LYS A 25 6.906 -5.872 8.872 1.00 64.44 C ATOM 377 CG LYS A 25 6.554 -6.758 10.056 1.00 13.50 C ATOM 378 CD LYS A 25 5.147 -6.453 10.553 1.00 22.44 C ATOM 379 CE LYS A 25 4.887 -7.032 11.934 1.00 51.32 C ATOM 380 NZ LYS A 25 5.080 -8.504 11.981 1.00 12.32 N ATOM 0 H LYS A 25 9.228 -5.762 9.971 1.00 53.51 H new ATOM 0 HA LYS A 25 8.127 -7.156 7.653 1.00 53.45 H new ATOM 0 HB2 LYS A 25 6.943 -4.837 9.212 1.00 64.44 H new ATOM 0 HB3 LYS A 25 6.103 -5.938 8.138 1.00 64.44 H new ATOM 0 HG2 LYS A 25 6.624 -7.806 9.766 1.00 13.50 H new ATOM 0 HG3 LYS A 25 7.272 -6.601 10.861 1.00 13.50 H new ATOM 0 HD2 LYS A 25 4.999 -5.373 10.580 1.00 22.44 H new ATOM 0 HD3 LYS A 25 4.419 -6.857 9.849 1.00 22.44 H new ATOM 0 HE2 LYS A 25 5.554 -6.558 12.654 1.00 51.32 H new ATOM 0 HE3 LYS A 25 3.868 -6.793 12.238 1.00 51.32 H new ATOM 0 HZ1 LYS A 25 4.359 -8.929 12.599 1.00 12.32 H new ATOM 0 HZ2 LYS A 25 4.989 -8.897 11.022 1.00 12.32 H new ATOM 0 HZ3 LYS A 25 6.027 -8.718 12.355 1.00 12.32 H new ATOM 394 N LEU A 26 8.035 -5.178 5.988 1.00 2.12 N ATOM 395 CA LEU A 26 8.163 -4.093 5.030 1.00 72.13 C ATOM 396 C LEU A 26 7.241 -2.949 5.406 1.00 5.53 C ATOM 397 O LEU A 26 6.089 -3.161 5.783 1.00 62.52 O ATOM 398 CB LEU A 26 7.833 -4.570 3.613 1.00 74.03 C ATOM 399 CG LEU A 26 8.902 -5.412 2.914 1.00 13.42 C ATOM 400 CD1 LEU A 26 10.217 -4.654 2.832 1.00 40.13 C ATOM 401 CD2 LEU A 26 9.099 -6.753 3.604 1.00 13.24 C ATOM 0 H LEU A 26 7.519 -5.989 5.646 1.00 2.12 H new ATOM 0 HA LEU A 26 9.197 -3.748 5.051 1.00 72.13 H new ATOM 0 HB2 LEU A 26 6.912 -5.152 3.654 1.00 74.03 H new ATOM 0 HB3 LEU A 26 7.630 -3.695 2.996 1.00 74.03 H new ATOM 0 HG LEU A 26 8.552 -5.610 1.901 1.00 13.42 H new ATOM 0 HD11 LEU A 26 10.962 -5.272 2.331 1.00 40.13 H new ATOM 0 HD12 LEU A 26 10.071 -3.733 2.268 1.00 40.13 H new ATOM 0 HD13 LEU A 26 10.562 -4.413 3.838 1.00 40.13 H new ATOM 0 HD21 LEU A 26 9.866 -7.323 3.079 1.00 13.24 H new ATOM 0 HD22 LEU A 26 9.411 -6.589 4.635 1.00 13.24 H new ATOM 0 HD23 LEU A 26 8.162 -7.309 3.592 1.00 13.24 H new ATOM 413 N SER A 27 7.763 -1.744 5.336 1.00 22.54 N ATOM 414 CA SER A 27 6.972 -0.556 5.579 1.00 60.02 C ATOM 415 C SER A 27 7.413 0.559 4.642 1.00 41.22 C ATOM 416 O SER A 27 8.599 0.692 4.337 1.00 4.13 O ATOM 417 CB SER A 27 7.117 -0.116 7.036 1.00 15.04 C ATOM 418 OG SER A 27 6.727 -1.151 7.926 1.00 12.22 O ATOM 0 H SER A 27 8.741 -1.560 5.111 1.00 22.54 H new ATOM 0 HA SER A 27 5.923 -0.781 5.388 1.00 60.02 H new ATOM 0 HB2 SER A 27 8.152 0.165 7.232 1.00 15.04 H new ATOM 0 HB3 SER A 27 6.507 0.769 7.214 1.00 15.04 H new ATOM 0 HG SER A 27 7.457 -1.799 8.015 1.00 12.22 H new ATOM 424 N VAL A 28 6.457 1.339 4.172 1.00 61.30 N ATOM 425 CA VAL A 28 6.756 2.456 3.292 1.00 15.20 C ATOM 426 C VAL A 28 5.840 3.633 3.605 1.00 70.11 C ATOM 427 O VAL A 28 4.645 3.452 3.839 1.00 41.32 O ATOM 428 CB VAL A 28 6.620 2.052 1.800 1.00 41.14 C ATOM 429 CG1 VAL A 28 5.219 1.546 1.486 1.00 12.24 C ATOM 430 CG2 VAL A 28 6.990 3.210 0.881 1.00 25.31 C ATOM 0 H VAL A 28 5.466 1.220 4.384 1.00 61.30 H new ATOM 0 HA VAL A 28 7.790 2.753 3.466 1.00 15.20 H new ATOM 0 HB VAL A 28 7.320 1.236 1.619 1.00 41.14 H new ATOM 0 HG11 VAL A 28 5.159 1.272 0.433 1.00 12.24 H new ATOM 0 HG12 VAL A 28 5.001 0.673 2.101 1.00 12.24 H new ATOM 0 HG13 VAL A 28 4.493 2.330 1.699 1.00 12.24 H new ATOM 0 HG21 VAL A 28 6.885 2.898 -0.158 1.00 25.31 H new ATOM 0 HG22 VAL A 28 6.328 4.054 1.075 1.00 25.31 H new ATOM 0 HG23 VAL A 28 8.022 3.508 1.068 1.00 25.31 H new ATOM 440 N LYS A 29 6.405 4.835 3.627 1.00 73.15 N ATOM 441 CA LYS A 29 5.618 6.033 3.857 1.00 11.11 C ATOM 442 C LYS A 29 4.600 6.213 2.746 1.00 52.32 C ATOM 443 O LYS A 29 4.952 6.220 1.560 1.00 51.25 O ATOM 444 CB LYS A 29 6.508 7.275 3.945 1.00 5.42 C ATOM 445 CG LYS A 29 7.381 7.329 5.189 1.00 62.23 C ATOM 446 CD LYS A 29 7.311 8.697 5.856 1.00 53.01 C ATOM 447 CE LYS A 29 7.849 9.805 4.959 1.00 42.00 C ATOM 448 NZ LYS A 29 7.556 11.159 5.510 1.00 55.33 N ATOM 0 H LYS A 29 7.402 5.002 3.489 1.00 73.15 H new ATOM 0 HA LYS A 29 5.101 5.913 4.809 1.00 11.11 H new ATOM 0 HB2 LYS A 29 7.148 7.313 3.064 1.00 5.42 H new ATOM 0 HB3 LYS A 29 5.877 8.163 3.919 1.00 5.42 H new ATOM 0 HG2 LYS A 29 7.061 6.562 5.894 1.00 62.23 H new ATOM 0 HG3 LYS A 29 8.414 7.105 4.921 1.00 62.23 H new ATOM 0 HD2 LYS A 29 6.277 8.917 6.121 1.00 53.01 H new ATOM 0 HD3 LYS A 29 7.881 8.676 6.785 1.00 53.01 H new ATOM 0 HE2 LYS A 29 8.926 9.686 4.842 1.00 42.00 H new ATOM 0 HE3 LYS A 29 7.408 9.714 3.966 1.00 42.00 H new ATOM 0 HZ1 LYS A 29 8.303 11.822 5.218 1.00 55.33 H new ATOM 0 HZ2 LYS A 29 6.639 11.490 5.148 1.00 55.33 H new ATOM 0 HZ3 LYS A 29 7.522 11.111 6.548 1.00 55.33 H new ATOM 462 N PHE A 30 3.341 6.351 3.140 1.00 23.42 N ATOM 463 CA PHE A 30 2.252 6.547 2.201 1.00 40.11 C ATOM 464 C PHE A 30 2.542 7.717 1.269 1.00 24.42 C ATOM 465 O PHE A 30 2.258 7.647 0.078 1.00 0.35 O ATOM 466 CB PHE A 30 0.944 6.793 2.954 1.00 22.13 C ATOM 467 CG PHE A 30 -0.233 7.013 2.047 1.00 61.52 C ATOM 468 CD1 PHE A 30 -0.798 5.950 1.367 1.00 53.25 C ATOM 469 CD2 PHE A 30 -0.765 8.281 1.869 1.00 1.24 C ATOM 470 CE1 PHE A 30 -1.877 6.144 0.526 1.00 45.11 C ATOM 471 CE2 PHE A 30 -1.843 8.482 1.029 1.00 21.41 C ATOM 472 CZ PHE A 30 -2.399 7.412 0.355 1.00 73.33 C ATOM 0 H PHE A 30 3.050 6.330 4.117 1.00 23.42 H new ATOM 0 HA PHE A 30 2.155 5.643 1.600 1.00 40.11 H new ATOM 0 HB2 PHE A 30 0.740 5.940 3.602 1.00 22.13 H new ATOM 0 HB3 PHE A 30 1.063 7.663 3.600 1.00 22.13 H new ATOM 0 HD1 PHE A 30 -0.392 4.958 1.495 1.00 53.25 H new ATOM 0 HD2 PHE A 30 -0.332 9.120 2.393 1.00 1.24 H new ATOM 0 HE1 PHE A 30 -2.312 5.305 0.003 1.00 45.11 H new ATOM 0 HE2 PHE A 30 -2.250 9.474 0.899 1.00 21.41 H new ATOM 0 HZ PHE A 30 -3.240 7.566 -0.304 1.00 73.33 H new ATOM 482 N GLY A 31 3.135 8.775 1.815 1.00 71.22 N ATOM 483 CA GLY A 31 3.440 9.954 1.022 1.00 64.43 C ATOM 484 C GLY A 31 4.356 9.655 -0.155 1.00 1.53 C ATOM 485 O GLY A 31 4.273 10.311 -1.193 1.00 30.33 O ATOM 0 H GLY A 31 3.411 8.837 2.795 1.00 71.22 H new ATOM 0 HA2 GLY A 31 2.511 10.387 0.652 1.00 64.43 H new ATOM 0 HA3 GLY A 31 3.909 10.703 1.660 1.00 64.43 H new ATOM 489 N VAL A 32 5.217 8.658 0.005 1.00 52.24 N ATOM 490 CA VAL A 32 6.141 8.271 -1.052 1.00 72.13 C ATOM 491 C VAL A 32 5.410 7.478 -2.129 1.00 2.34 C ATOM 492 O VAL A 32 5.526 7.768 -3.321 1.00 1.42 O ATOM 493 CB VAL A 32 7.316 7.434 -0.501 1.00 41.53 C ATOM 494 CG1 VAL A 32 8.282 7.063 -1.614 1.00 3.40 C ATOM 495 CG2 VAL A 32 8.037 8.189 0.605 1.00 40.12 C ATOM 0 H VAL A 32 5.294 8.103 0.857 1.00 52.24 H new ATOM 0 HA VAL A 32 6.547 9.186 -1.484 1.00 72.13 H new ATOM 0 HB VAL A 32 6.912 6.513 -0.081 1.00 41.53 H new ATOM 0 HG11 VAL A 32 9.102 6.474 -1.203 1.00 3.40 H new ATOM 0 HG12 VAL A 32 7.758 6.478 -2.370 1.00 3.40 H new ATOM 0 HG13 VAL A 32 8.680 7.971 -2.068 1.00 3.40 H new ATOM 0 HG21 VAL A 32 8.862 7.584 0.981 1.00 40.12 H new ATOM 0 HG22 VAL A 32 8.426 9.128 0.211 1.00 40.12 H new ATOM 0 HG23 VAL A 32 7.340 8.398 1.417 1.00 40.12 H new ATOM 505 N LEU A 33 4.632 6.492 -1.695 1.00 4.35 N ATOM 506 CA LEU A 33 3.879 5.640 -2.613 1.00 61.43 C ATOM 507 C LEU A 33 2.806 6.458 -3.337 1.00 35.13 C ATOM 508 O LEU A 33 2.569 6.283 -4.532 1.00 22.10 O ATOM 509 CB LEU A 33 3.235 4.481 -1.842 1.00 45.12 C ATOM 510 CG LEU A 33 3.366 3.099 -2.493 1.00 32.45 C ATOM 511 CD1 LEU A 33 2.764 2.032 -1.594 1.00 24.32 C ATOM 512 CD2 LEU A 33 2.699 3.073 -3.860 1.00 23.42 C ATOM 0 H LEU A 33 4.505 6.261 -0.710 1.00 4.35 H new ATOM 0 HA LEU A 33 4.563 5.231 -3.357 1.00 61.43 H new ATOM 0 HB2 LEU A 33 3.680 4.438 -0.848 1.00 45.12 H new ATOM 0 HB3 LEU A 33 2.176 4.701 -1.708 1.00 45.12 H new ATOM 0 HG LEU A 33 4.427 2.889 -2.629 1.00 32.45 H new ATOM 0 HD11 LEU A 33 2.864 1.056 -2.070 1.00 24.32 H new ATOM 0 HD12 LEU A 33 3.287 2.025 -0.637 1.00 24.32 H new ATOM 0 HD13 LEU A 33 1.708 2.248 -1.429 1.00 24.32 H new ATOM 0 HD21 LEU A 33 2.807 2.081 -4.299 1.00 23.42 H new ATOM 0 HD22 LEU A 33 1.640 3.309 -3.753 1.00 23.42 H new ATOM 0 HD23 LEU A 33 3.171 3.810 -4.509 1.00 23.42 H new ATOM 524 N PHE A 34 2.181 7.366 -2.598 1.00 62.31 N ATOM 525 CA PHE A 34 1.137 8.229 -3.134 1.00 54.12 C ATOM 526 C PHE A 34 1.694 9.124 -4.240 1.00 31.11 C ATOM 527 O PHE A 34 1.029 9.368 -5.247 1.00 1.01 O ATOM 528 CB PHE A 34 0.546 9.075 -2.001 1.00 4.01 C ATOM 529 CG PHE A 34 -0.690 9.846 -2.371 1.00 20.20 C ATOM 530 CD1 PHE A 34 -1.824 9.189 -2.819 1.00 22.01 C ATOM 531 CD2 PHE A 34 -0.723 11.225 -2.243 1.00 74.21 C ATOM 532 CE1 PHE A 34 -2.968 9.893 -3.138 1.00 73.14 C ATOM 533 CE2 PHE A 34 -1.864 11.934 -2.563 1.00 63.24 C ATOM 534 CZ PHE A 34 -2.988 11.267 -3.011 1.00 73.43 C ATOM 0 H PHE A 34 2.384 7.525 -1.611 1.00 62.31 H new ATOM 0 HA PHE A 34 0.350 7.612 -3.568 1.00 54.12 H new ATOM 0 HB2 PHE A 34 0.312 8.420 -1.162 1.00 4.01 H new ATOM 0 HB3 PHE A 34 1.305 9.777 -1.656 1.00 4.01 H new ATOM 0 HD1 PHE A 34 -1.813 8.114 -2.920 1.00 22.01 H new ATOM 0 HD2 PHE A 34 0.152 11.751 -1.890 1.00 74.21 H new ATOM 0 HE1 PHE A 34 -3.846 9.369 -3.486 1.00 73.14 H new ATOM 0 HE2 PHE A 34 -1.878 13.009 -2.463 1.00 63.24 H new ATOM 0 HZ PHE A 34 -3.881 11.820 -3.261 1.00 73.43 H new ATOM 544 N ARG A 35 2.922 9.594 -4.049 1.00 75.03 N ATOM 545 CA ARG A 35 3.577 10.440 -5.039 1.00 3.50 C ATOM 546 C ARG A 35 3.962 9.629 -6.271 1.00 34.31 C ATOM 547 O ARG A 35 3.829 10.097 -7.403 1.00 2.12 O ATOM 548 CB ARG A 35 4.828 11.100 -4.453 1.00 62.02 C ATOM 549 CG ARG A 35 5.538 12.013 -5.439 1.00 41.22 C ATOM 550 CD ARG A 35 6.905 12.437 -4.936 1.00 43.11 C ATOM 551 NE ARG A 35 7.581 13.299 -5.901 1.00 1.44 N ATOM 552 CZ ARG A 35 8.861 13.188 -6.239 1.00 54.12 C ATOM 553 NH1 ARG A 35 9.620 12.241 -5.701 1.00 40.42 N ATOM 554 NH2 ARG A 35 9.378 14.020 -7.135 1.00 44.53 N ATOM 0 H ARG A 35 3.483 9.404 -3.219 1.00 75.03 H new ATOM 0 HA ARG A 35 2.869 11.217 -5.328 1.00 3.50 H new ATOM 0 HB2 ARG A 35 4.548 11.676 -3.571 1.00 62.02 H new ATOM 0 HB3 ARG A 35 5.519 10.325 -4.122 1.00 62.02 H new ATOM 0 HG2 ARG A 35 5.646 11.500 -6.395 1.00 41.22 H new ATOM 0 HG3 ARG A 35 4.927 12.898 -5.619 1.00 41.22 H new ATOM 0 HD2 ARG A 35 6.799 12.963 -3.987 1.00 43.11 H new ATOM 0 HD3 ARG A 35 7.514 11.554 -4.744 1.00 43.11 H new ATOM 0 HE ARG A 35 7.034 14.036 -6.346 1.00 1.44 H new ATOM 0 HH11 ARG A 35 9.221 11.592 -5.023 1.00 40.42 H new ATOM 0 HH12 ARG A 35 10.602 12.163 -5.966 1.00 40.42 H new ATOM 0 HH21 ARG A 35 8.793 14.740 -7.560 1.00 44.53 H new ATOM 0 HH22 ARG A 35 10.360 13.940 -7.399 1.00 44.53 H new ATOM 568 N ASP A 36 4.438 8.411 -6.042 1.00 24.45 N ATOM 569 CA ASP A 36 4.895 7.547 -7.126 1.00 72.21 C ATOM 570 C ASP A 36 3.742 7.211 -8.064 1.00 63.53 C ATOM 571 O ASP A 36 3.854 7.353 -9.285 1.00 13.22 O ATOM 572 CB ASP A 36 5.501 6.262 -6.558 1.00 44.35 C ATOM 573 CG ASP A 36 6.272 5.474 -7.599 1.00 2.14 C ATOM 574 OD1 ASP A 36 7.444 5.824 -7.858 1.00 32.41 O ATOM 575 OD2 ASP A 36 5.719 4.506 -8.158 1.00 14.32 O ATOM 0 H ASP A 36 4.518 7.998 -5.113 1.00 24.45 H new ATOM 0 HA ASP A 36 5.660 8.079 -7.692 1.00 72.21 H new ATOM 0 HB2 ASP A 36 6.165 6.512 -5.731 1.00 44.35 H new ATOM 0 HB3 ASP A 36 4.705 5.638 -6.150 1.00 44.35 H new ATOM 580 N ASP A 37 2.620 6.801 -7.483 1.00 32.44 N ATOM 581 CA ASP A 37 1.437 6.448 -8.261 1.00 75.50 C ATOM 582 C ASP A 37 0.926 7.630 -9.078 1.00 51.34 C ATOM 583 O ASP A 37 0.438 7.452 -10.188 1.00 61.23 O ATOM 584 CB ASP A 37 0.318 5.928 -7.360 1.00 35.12 C ATOM 585 CG ASP A 37 -0.952 5.663 -8.145 1.00 30.11 C ATOM 586 OD1 ASP A 37 -0.953 4.741 -8.985 1.00 63.14 O ATOM 587 OD2 ASP A 37 -1.948 6.388 -7.937 1.00 42.32 O ATOM 0 H ASP A 37 2.504 6.705 -6.474 1.00 32.44 H new ATOM 0 HA ASP A 37 1.737 5.657 -8.948 1.00 75.50 H new ATOM 0 HB2 ASP A 37 0.642 5.010 -6.870 1.00 35.12 H new ATOM 0 HB3 ASP A 37 0.116 6.655 -6.574 1.00 35.12 H new ATOM 592 N LYS A 38 1.063 8.838 -8.545 1.00 71.31 N ATOM 593 CA LYS A 38 0.599 10.036 -9.246 1.00 65.20 C ATOM 594 C LYS A 38 1.264 10.182 -10.612 1.00 42.41 C ATOM 595 O LYS A 38 0.706 10.796 -11.520 1.00 43.55 O ATOM 596 CB LYS A 38 0.853 11.296 -8.416 1.00 64.02 C ATOM 597 CG LYS A 38 -0.133 11.487 -7.278 1.00 51.22 C ATOM 598 CD LYS A 38 0.082 12.821 -6.580 1.00 64.31 C ATOM 599 CE LYS A 38 -1.040 13.122 -5.604 1.00 70.14 C ATOM 600 NZ LYS A 38 -0.905 14.472 -4.991 1.00 72.25 N ATOM 0 H LYS A 38 1.489 9.017 -7.635 1.00 71.31 H new ATOM 0 HA LYS A 38 -0.475 9.918 -9.394 1.00 65.20 H new ATOM 0 HB2 LYS A 38 1.862 11.253 -8.007 1.00 64.02 H new ATOM 0 HB3 LYS A 38 0.811 12.166 -9.071 1.00 64.02 H new ATOM 0 HG2 LYS A 38 -1.151 11.436 -7.664 1.00 51.22 H new ATOM 0 HG3 LYS A 38 -0.023 10.676 -6.559 1.00 51.22 H new ATOM 0 HD2 LYS A 38 1.034 12.806 -6.049 1.00 64.31 H new ATOM 0 HD3 LYS A 38 0.143 13.616 -7.323 1.00 64.31 H new ATOM 0 HE2 LYS A 38 -1.997 13.054 -6.121 1.00 70.14 H new ATOM 0 HE3 LYS A 38 -1.048 12.367 -4.818 1.00 70.14 H new ATOM 0 HZ1 LYS A 38 -1.693 14.634 -4.332 1.00 72.25 H new ATOM 0 HZ2 LYS A 38 -0.004 14.530 -4.475 1.00 72.25 H new ATOM 0 HZ3 LYS A 38 -0.924 15.196 -5.738 1.00 72.25 H new ATOM 614 N SER A 39 2.449 9.613 -10.759 1.00 30.23 N ATOM 615 CA SER A 39 3.176 9.709 -12.008 1.00 20.21 C ATOM 616 C SER A 39 2.778 8.583 -12.965 1.00 23.42 C ATOM 617 O SER A 39 2.658 8.798 -14.171 1.00 73.33 O ATOM 618 CB SER A 39 4.685 9.679 -11.746 1.00 44.21 C ATOM 619 OG SER A 39 5.414 10.014 -12.915 1.00 23.35 O ATOM 0 H SER A 39 2.925 9.082 -10.030 1.00 30.23 H new ATOM 0 HA SER A 39 2.918 10.658 -12.479 1.00 20.21 H new ATOM 0 HB2 SER A 39 4.932 10.378 -10.947 1.00 44.21 H new ATOM 0 HB3 SER A 39 4.978 8.687 -11.403 1.00 44.21 H new ATOM 0 HG SER A 39 6.374 9.989 -12.720 1.00 23.35 H new ATOM 625 N ALA A 40 2.549 7.393 -12.422 1.00 34.43 N ATOM 626 CA ALA A 40 2.309 6.212 -13.246 1.00 23.40 C ATOM 627 C ALA A 40 0.820 5.933 -13.445 1.00 75.20 C ATOM 628 O ALA A 40 0.418 5.428 -14.495 1.00 33.35 O ATOM 629 CB ALA A 40 2.990 5.005 -12.630 1.00 32.12 C ATOM 0 H ALA A 40 2.524 7.219 -11.417 1.00 34.43 H new ATOM 0 HA ALA A 40 2.732 6.411 -14.231 1.00 23.40 H new ATOM 0 HB1 ALA A 40 2.806 4.128 -13.250 1.00 32.12 H new ATOM 0 HB2 ALA A 40 4.063 5.186 -12.566 1.00 32.12 H new ATOM 0 HB3 ALA A 40 2.591 4.833 -11.631 1.00 32.12 H new ATOM 635 N ASN A 41 0.016 6.255 -12.432 1.00 33.43 N ATOM 636 CA ASN A 41 -1.434 6.015 -12.453 1.00 32.44 C ATOM 637 C ASN A 41 -1.735 4.521 -12.467 1.00 2.40 C ATOM 638 O ASN A 41 -2.614 4.051 -13.193 1.00 23.23 O ATOM 639 CB ASN A 41 -2.108 6.704 -13.646 1.00 71.42 C ATOM 640 CG ASN A 41 -2.242 8.208 -13.470 1.00 21.33 C ATOM 641 OD1 ASN A 41 -1.312 8.818 -12.754 1.00 3.22 O flip ATOM 642 ND2 ASN A 41 -3.179 8.819 -13.979 1.00 64.14 N flip ATOM 0 H ASN A 41 0.348 6.690 -11.571 1.00 33.43 H new ATOM 0 HA ASN A 41 -1.846 6.449 -11.542 1.00 32.44 H new ATOM 0 HB2 ASN A 41 -1.532 6.500 -14.548 1.00 71.42 H new ATOM 0 HB3 ASN A 41 -3.098 6.272 -13.795 1.00 71.42 H new ATOM 0 HD21 ASN A 41 -3.879 8.317 -14.525 1.00 64.14 H new ATOM 0 HD22 ASN A 41 -3.257 9.828 -13.855 1.00 64.14 H new ATOM 649 N LEU A 42 -1.015 3.791 -11.631 1.00 73.03 N ATOM 650 CA LEU A 42 -1.158 2.347 -11.554 1.00 62.33 C ATOM 651 C LEU A 42 -2.365 1.985 -10.706 1.00 74.13 C ATOM 652 O LEU A 42 -3.162 1.118 -11.067 1.00 44.24 O ATOM 653 CB LEU A 42 0.103 1.720 -10.956 1.00 73.02 C ATOM 654 CG LEU A 42 1.393 1.986 -11.735 1.00 41.11 C ATOM 655 CD1 LEU A 42 2.580 1.348 -11.033 1.00 52.44 C ATOM 656 CD2 LEU A 42 1.272 1.467 -13.160 1.00 45.32 C ATOM 0 H LEU A 42 -0.321 4.179 -10.992 1.00 73.03 H new ATOM 0 HA LEU A 42 -1.302 1.958 -12.562 1.00 62.33 H new ATOM 0 HB2 LEU A 42 0.228 2.092 -9.939 1.00 73.02 H new ATOM 0 HB3 LEU A 42 -0.045 0.642 -10.885 1.00 73.02 H new ATOM 0 HG LEU A 42 1.556 3.063 -11.775 1.00 41.11 H new ATOM 0 HD11 LEU A 42 3.489 1.547 -11.601 1.00 52.44 H new ATOM 0 HD12 LEU A 42 2.679 1.767 -10.032 1.00 52.44 H new ATOM 0 HD13 LEU A 42 2.425 0.271 -10.962 1.00 52.44 H new ATOM 0 HD21 LEU A 42 2.198 1.665 -13.699 1.00 45.32 H new ATOM 0 HD22 LEU A 42 1.085 0.393 -13.142 1.00 45.32 H new ATOM 0 HD23 LEU A 42 0.446 1.971 -13.662 1.00 45.32 H new ATOM 668 N PHE A 43 -2.503 2.667 -9.583 1.00 65.34 N ATOM 669 CA PHE A 43 -3.600 2.415 -8.672 1.00 12.43 C ATOM 670 C PHE A 43 -4.724 3.402 -8.940 1.00 63.13 C ATOM 671 O PHE A 43 -4.694 4.535 -8.463 1.00 60.23 O ATOM 672 CB PHE A 43 -3.132 2.527 -7.219 1.00 70.51 C ATOM 673 CG PHE A 43 -1.930 1.682 -6.912 1.00 12.35 C ATOM 674 CD1 PHE A 43 -2.038 0.303 -6.824 1.00 12.44 C ATOM 675 CD2 PHE A 43 -0.691 2.266 -6.706 1.00 30.32 C ATOM 676 CE1 PHE A 43 -0.933 -0.476 -6.537 1.00 0.45 C ATOM 677 CE2 PHE A 43 0.416 1.493 -6.420 1.00 71.11 C ATOM 678 CZ PHE A 43 0.295 0.120 -6.336 1.00 51.03 C ATOM 0 H PHE A 43 -1.864 3.403 -9.281 1.00 65.34 H new ATOM 0 HA PHE A 43 -3.966 1.401 -8.835 1.00 12.43 H new ATOM 0 HB2 PHE A 43 -2.900 3.569 -6.999 1.00 70.51 H new ATOM 0 HB3 PHE A 43 -3.949 2.237 -6.559 1.00 70.51 H new ATOM 0 HD1 PHE A 43 -2.997 -0.168 -6.982 1.00 12.44 H new ATOM 0 HD2 PHE A 43 -0.590 3.339 -6.770 1.00 30.32 H new ATOM 0 HE1 PHE A 43 -1.031 -1.550 -6.470 1.00 0.45 H new ATOM 0 HE2 PHE A 43 1.376 1.962 -6.262 1.00 71.11 H new ATOM 0 HZ PHE A 43 1.160 -0.486 -6.113 1.00 51.03 H new ATOM 688 N GLU A 44 -5.694 2.972 -9.738 1.00 24.32 N ATOM 689 CA GLU A 44 -6.834 3.811 -10.095 1.00 63.15 C ATOM 690 C GLU A 44 -7.504 4.360 -8.841 1.00 64.53 C ATOM 691 O GLU A 44 -7.769 5.558 -8.734 1.00 21.50 O ATOM 692 CB GLU A 44 -7.831 3.001 -10.918 1.00 62.21 C ATOM 693 CG GLU A 44 -8.972 3.821 -11.488 1.00 4.21 C ATOM 694 CD GLU A 44 -9.897 2.989 -12.345 1.00 13.12 C ATOM 695 OE1 GLU A 44 -9.590 2.798 -13.539 1.00 21.43 O ATOM 696 OE2 GLU A 44 -10.927 2.511 -11.824 1.00 72.34 O ATOM 0 H GLU A 44 -5.714 2.041 -10.153 1.00 24.32 H new ATOM 0 HA GLU A 44 -6.481 4.653 -10.691 1.00 63.15 H new ATOM 0 HB2 GLU A 44 -7.301 2.517 -11.738 1.00 62.21 H new ATOM 0 HB3 GLU A 44 -8.243 2.209 -10.293 1.00 62.21 H new ATOM 0 HG2 GLU A 44 -9.539 4.268 -10.672 1.00 4.21 H new ATOM 0 HG3 GLU A 44 -8.567 4.641 -12.082 1.00 4.21 H new ATOM 703 N ALA A 45 -7.767 3.473 -7.896 1.00 31.15 N ATOM 704 CA ALA A 45 -8.268 3.868 -6.594 1.00 73.13 C ATOM 705 C ALA A 45 -7.335 3.346 -5.513 1.00 31.24 C ATOM 706 O ALA A 45 -7.521 2.241 -5.004 1.00 42.04 O ATOM 707 CB ALA A 45 -9.687 3.357 -6.380 1.00 75.11 C ATOM 0 H ALA A 45 -7.640 2.467 -8.010 1.00 31.15 H new ATOM 0 HA ALA A 45 -8.300 4.956 -6.541 1.00 73.13 H new ATOM 0 HB1 ALA A 45 -10.041 3.666 -5.396 1.00 75.11 H new ATOM 0 HB2 ALA A 45 -10.342 3.770 -7.147 1.00 75.11 H new ATOM 0 HB3 ALA A 45 -9.695 2.269 -6.443 1.00 75.11 H new ATOM 713 N LEU A 46 -6.315 4.135 -5.193 1.00 1.33 N ATOM 714 CA LEU A 46 -5.284 3.724 -4.245 1.00 63.42 C ATOM 715 C LEU A 46 -5.893 3.375 -2.894 1.00 4.31 C ATOM 716 O LEU A 46 -5.503 2.392 -2.269 1.00 31.52 O ATOM 717 CB LEU A 46 -4.229 4.826 -4.087 1.00 40.42 C ATOM 718 CG LEU A 46 -3.081 4.504 -3.123 1.00 50.10 C ATOM 719 CD1 LEU A 46 -2.368 3.225 -3.534 1.00 23.11 C ATOM 720 CD2 LEU A 46 -2.094 5.660 -3.072 1.00 5.54 C ATOM 0 H LEU A 46 -6.179 5.069 -5.579 1.00 1.33 H new ATOM 0 HA LEU A 46 -4.799 2.831 -4.640 1.00 63.42 H new ATOM 0 HB2 LEU A 46 -3.807 5.045 -5.068 1.00 40.42 H new ATOM 0 HB3 LEU A 46 -4.725 5.734 -3.744 1.00 40.42 H new ATOM 0 HG LEU A 46 -3.505 4.356 -2.130 1.00 50.10 H new ATOM 0 HD11 LEU A 46 -1.558 3.019 -2.834 1.00 23.11 H new ATOM 0 HD12 LEU A 46 -3.075 2.395 -3.525 1.00 23.11 H new ATOM 0 HD13 LEU A 46 -1.959 3.343 -4.538 1.00 23.11 H new ATOM 0 HD21 LEU A 46 -1.284 5.417 -2.384 1.00 5.54 H new ATOM 0 HD22 LEU A 46 -1.684 5.833 -4.067 1.00 5.54 H new ATOM 0 HD23 LEU A 46 -2.605 6.560 -2.729 1.00 5.54 H new ATOM 732 N VAL A 47 -6.865 4.171 -2.458 1.00 2.32 N ATOM 733 CA VAL A 47 -7.552 3.902 -1.202 1.00 3.23 C ATOM 734 C VAL A 47 -8.262 2.551 -1.264 1.00 44.02 C ATOM 735 O VAL A 47 -8.258 1.796 -0.296 1.00 51.42 O ATOM 736 CB VAL A 47 -8.559 5.026 -0.843 1.00 40.34 C ATOM 737 CG1 VAL A 47 -9.600 5.208 -1.940 1.00 25.20 C ATOM 738 CG2 VAL A 47 -9.228 4.749 0.498 1.00 14.41 C ATOM 0 H VAL A 47 -7.192 5.001 -2.953 1.00 2.32 H new ATOM 0 HA VAL A 47 -6.799 3.873 -0.415 1.00 3.23 H new ATOM 0 HB VAL A 47 -7.999 5.957 -0.758 1.00 40.34 H new ATOM 0 HG11 VAL A 47 -10.291 6.003 -1.658 1.00 25.20 H new ATOM 0 HG12 VAL A 47 -9.103 5.473 -2.873 1.00 25.20 H new ATOM 0 HG13 VAL A 47 -10.153 4.278 -2.075 1.00 25.20 H new ATOM 0 HG21 VAL A 47 -9.929 5.551 0.727 1.00 14.41 H new ATOM 0 HG22 VAL A 47 -9.764 3.801 0.448 1.00 14.41 H new ATOM 0 HG23 VAL A 47 -8.469 4.696 1.279 1.00 14.41 H new ATOM 748 N GLY A 48 -8.827 2.234 -2.426 1.00 43.33 N ATOM 749 CA GLY A 48 -9.508 0.966 -2.605 1.00 1.13 C ATOM 750 C GLY A 48 -8.544 -0.200 -2.566 1.00 13.33 C ATOM 751 O GLY A 48 -8.829 -1.229 -1.954 1.00 63.11 O ATOM 0 H GLY A 48 -8.824 2.836 -3.249 1.00 43.33 H new ATOM 0 HA2 GLY A 48 -10.259 0.843 -1.824 1.00 1.13 H new ATOM 0 HA3 GLY A 48 -10.037 0.969 -3.558 1.00 1.13 H new ATOM 755 N THR A 49 -7.394 -0.032 -3.211 1.00 32.03 N ATOM 756 CA THR A 49 -6.352 -1.047 -3.201 1.00 52.35 C ATOM 757 C THR A 49 -5.852 -1.284 -1.776 1.00 45.35 C ATOM 758 O THR A 49 -5.627 -2.425 -1.363 1.00 72.04 O ATOM 759 CB THR A 49 -5.175 -0.629 -4.102 1.00 32.23 C ATOM 760 OG1 THR A 49 -5.672 -0.201 -5.378 1.00 4.31 O ATOM 761 CG2 THR A 49 -4.203 -1.782 -4.297 1.00 62.45 C ATOM 0 H THR A 49 -7.162 0.803 -3.749 1.00 32.03 H new ATOM 0 HA THR A 49 -6.778 -1.973 -3.588 1.00 52.35 H new ATOM 0 HB THR A 49 -4.646 0.191 -3.617 1.00 32.23 H new ATOM 0 HG1 THR A 49 -4.921 0.066 -5.949 1.00 4.31 H new ATOM 0 HG21 THR A 49 -3.381 -1.461 -4.937 1.00 62.45 H new ATOM 0 HG22 THR A 49 -3.809 -2.094 -3.330 1.00 62.45 H new ATOM 0 HG23 THR A 49 -4.721 -2.619 -4.765 1.00 62.45 H new ATOM 769 N LEU A 50 -5.697 -0.196 -1.026 1.00 63.10 N ATOM 770 CA LEU A 50 -5.287 -0.278 0.370 1.00 74.12 C ATOM 771 C LEU A 50 -6.329 -1.027 1.192 1.00 50.44 C ATOM 772 O LEU A 50 -5.990 -1.922 1.962 1.00 72.11 O ATOM 773 CB LEU A 50 -5.072 1.119 0.954 1.00 24.03 C ATOM 774 CG LEU A 50 -3.907 1.908 0.359 1.00 23.05 C ATOM 775 CD1 LEU A 50 -3.867 3.311 0.944 1.00 31.44 C ATOM 776 CD2 LEU A 50 -2.590 1.189 0.614 1.00 12.32 C ATOM 0 H LEU A 50 -5.850 0.754 -1.364 1.00 63.10 H new ATOM 0 HA LEU A 50 -4.345 -0.824 0.412 1.00 74.12 H new ATOM 0 HB2 LEU A 50 -5.987 1.696 0.817 1.00 24.03 H new ATOM 0 HB3 LEU A 50 -4.913 1.024 2.028 1.00 24.03 H new ATOM 0 HG LEU A 50 -4.055 1.984 -0.718 1.00 23.05 H new ATOM 0 HD11 LEU A 50 -3.032 3.862 0.511 1.00 31.44 H new ATOM 0 HD12 LEU A 50 -4.800 3.827 0.716 1.00 31.44 H new ATOM 0 HD13 LEU A 50 -3.741 3.251 2.025 1.00 31.44 H new ATOM 0 HD21 LEU A 50 -1.771 1.765 0.183 1.00 12.32 H new ATOM 0 HD22 LEU A 50 -2.434 1.085 1.688 1.00 12.32 H new ATOM 0 HD23 LEU A 50 -2.620 0.201 0.154 1.00 12.32 H new ATOM 788 N LYS A 51 -7.597 -0.661 1.016 1.00 75.34 N ATOM 789 CA LYS A 51 -8.693 -1.325 1.720 1.00 74.22 C ATOM 790 C LYS A 51 -8.723 -2.809 1.390 1.00 0.23 C ATOM 791 O LYS A 51 -8.944 -3.639 2.266 1.00 33.34 O ATOM 792 CB LYS A 51 -10.042 -0.696 1.357 1.00 12.44 C ATOM 793 CG LYS A 51 -10.185 0.759 1.777 1.00 32.34 C ATOM 794 CD LYS A 51 -10.092 0.939 3.285 1.00 22.31 C ATOM 795 CE LYS A 51 -11.175 0.159 4.015 1.00 33.20 C ATOM 796 NZ LYS A 51 -11.239 0.510 5.460 1.00 52.43 N ATOM 0 H LYS A 51 -7.891 0.091 0.393 1.00 75.34 H new ATOM 0 HA LYS A 51 -8.521 -1.198 2.789 1.00 74.22 H new ATOM 0 HB2 LYS A 51 -10.185 -0.767 0.279 1.00 12.44 H new ATOM 0 HB3 LYS A 51 -10.838 -1.277 1.823 1.00 12.44 H new ATOM 0 HG2 LYS A 51 -9.408 1.352 1.294 1.00 32.34 H new ATOM 0 HG3 LYS A 51 -11.143 1.143 1.426 1.00 32.34 H new ATOM 0 HD2 LYS A 51 -9.112 0.610 3.631 1.00 22.31 H new ATOM 0 HD3 LYS A 51 -10.178 1.997 3.531 1.00 22.31 H new ATOM 0 HE2 LYS A 51 -12.141 0.359 3.551 1.00 33.20 H new ATOM 0 HE3 LYS A 51 -10.985 -0.909 3.910 1.00 33.20 H new ATOM 0 HZ1 LYS A 51 -11.536 -0.323 6.007 1.00 52.43 H new ATOM 0 HZ2 LYS A 51 -10.301 0.821 5.784 1.00 52.43 H new ATOM 0 HZ3 LYS A 51 -11.926 1.278 5.601 1.00 52.43 H new ATOM 810 N ALA A 52 -8.497 -3.132 0.121 1.00 53.51 N ATOM 811 CA ALA A 52 -8.496 -4.514 -0.342 1.00 21.20 C ATOM 812 C ALA A 52 -7.446 -5.345 0.389 1.00 3.53 C ATOM 813 O ALA A 52 -7.724 -6.453 0.853 1.00 75.41 O ATOM 814 CB ALA A 52 -8.251 -4.560 -1.845 1.00 3.25 C ATOM 0 H ALA A 52 -8.310 -2.447 -0.611 1.00 53.51 H new ATOM 0 HA ALA A 52 -9.473 -4.944 -0.123 1.00 21.20 H new ATOM 0 HB1 ALA A 52 -8.252 -5.597 -2.182 1.00 3.25 H new ATOM 0 HB2 ALA A 52 -9.039 -4.010 -2.359 1.00 3.25 H new ATOM 0 HB3 ALA A 52 -7.286 -4.106 -2.070 1.00 3.25 H new ATOM 820 N ALA A 53 -6.244 -4.802 0.498 1.00 44.21 N ATOM 821 CA ALA A 53 -5.149 -5.509 1.145 1.00 45.55 C ATOM 822 C ALA A 53 -5.284 -5.460 2.664 1.00 11.11 C ATOM 823 O ALA A 53 -4.882 -6.391 3.357 1.00 55.50 O ATOM 824 CB ALA A 53 -3.811 -4.933 0.698 1.00 41.32 C ATOM 0 H ALA A 53 -6.001 -3.875 0.148 1.00 44.21 H new ATOM 0 HA ALA A 53 -5.192 -6.556 0.844 1.00 45.55 H new ATOM 0 HB1 ALA A 53 -3.001 -5.471 1.190 1.00 41.32 H new ATOM 0 HB2 ALA A 53 -3.713 -5.037 -0.383 1.00 41.32 H new ATOM 0 HB3 ALA A 53 -3.761 -3.878 0.967 1.00 41.32 H new ATOM 830 N LYS A 54 -5.856 -4.380 3.179 1.00 64.15 N ATOM 831 CA LYS A 54 -6.113 -4.260 4.611 1.00 21.04 C ATOM 832 C LYS A 54 -7.189 -5.260 5.026 1.00 34.33 C ATOM 833 O LYS A 54 -7.123 -5.861 6.096 1.00 11.12 O ATOM 834 CB LYS A 54 -6.541 -2.825 4.949 1.00 32.10 C ATOM 835 CG LYS A 54 -6.767 -2.564 6.431 1.00 2.44 C ATOM 836 CD LYS A 54 -7.048 -1.090 6.696 1.00 31.34 C ATOM 837 CE LYS A 54 -7.339 -0.823 8.165 1.00 3.42 C ATOM 838 NZ LYS A 54 -7.506 0.630 8.447 1.00 51.52 N ATOM 0 H LYS A 54 -6.151 -3.574 2.628 1.00 64.15 H new ATOM 0 HA LYS A 54 -5.200 -4.483 5.163 1.00 21.04 H new ATOM 0 HB2 LYS A 54 -5.778 -2.137 4.584 1.00 32.10 H new ATOM 0 HB3 LYS A 54 -7.460 -2.597 4.409 1.00 32.10 H new ATOM 0 HG2 LYS A 54 -7.604 -3.166 6.785 1.00 2.44 H new ATOM 0 HG3 LYS A 54 -5.889 -2.876 6.996 1.00 2.44 H new ATOM 0 HD2 LYS A 54 -6.191 -0.495 6.382 1.00 31.34 H new ATOM 0 HD3 LYS A 54 -7.897 -0.768 6.093 1.00 31.34 H new ATOM 0 HE2 LYS A 54 -8.244 -1.355 8.458 1.00 3.42 H new ATOM 0 HE3 LYS A 54 -6.526 -1.219 8.773 1.00 3.42 H new ATOM 0 HZ1 LYS A 54 -8.136 0.755 9.265 1.00 51.52 H new ATOM 0 HZ2 LYS A 54 -6.579 1.052 8.656 1.00 51.52 H new ATOM 0 HZ3 LYS A 54 -7.921 1.099 7.617 1.00 51.52 H new ATOM 852 N ARG A 55 -8.164 -5.448 4.146 1.00 61.32 N ATOM 853 CA ARG A 55 -9.241 -6.395 4.356 1.00 54.10 C ATOM 854 C ARG A 55 -8.723 -7.829 4.285 1.00 2.13 C ATOM 855 O ARG A 55 -9.191 -8.710 5.007 1.00 54.12 O ATOM 856 CB ARG A 55 -10.311 -6.155 3.294 1.00 62.15 C ATOM 857 CG ARG A 55 -11.490 -7.093 3.371 1.00 72.24 C ATOM 858 CD ARG A 55 -12.587 -6.652 2.419 1.00 73.21 C ATOM 859 NE ARG A 55 -13.736 -7.554 2.426 1.00 40.34 N ATOM 860 CZ ARG A 55 -14.899 -7.276 3.016 1.00 60.24 C ATOM 861 NH1 ARG A 55 -15.030 -6.172 3.740 1.00 32.23 N ATOM 862 NH2 ARG A 55 -15.927 -8.103 2.886 1.00 12.40 N ATOM 0 H ARG A 55 -8.226 -4.942 3.262 1.00 61.32 H new ATOM 0 HA ARG A 55 -9.668 -6.251 5.349 1.00 54.10 H new ATOM 0 HB2 ARG A 55 -10.671 -5.130 3.385 1.00 62.15 H new ATOM 0 HB3 ARG A 55 -9.854 -6.246 2.309 1.00 62.15 H new ATOM 0 HG2 ARG A 55 -11.172 -8.106 3.124 1.00 72.24 H new ATOM 0 HG3 ARG A 55 -11.875 -7.119 4.391 1.00 72.24 H new ATOM 0 HD2 ARG A 55 -12.916 -5.649 2.690 1.00 73.21 H new ATOM 0 HD3 ARG A 55 -12.183 -6.593 1.408 1.00 73.21 H new ATOM 0 HE ARG A 55 -13.643 -8.452 1.950 1.00 40.34 H new ATOM 0 HH11 ARG A 55 -14.241 -5.535 3.846 1.00 32.23 H new ATOM 0 HH12 ARG A 55 -15.920 -5.960 4.191 1.00 32.23 H new ATOM 0 HH21 ARG A 55 -15.830 -8.955 2.333 1.00 12.40 H new ATOM 0 HH22 ARG A 55 -16.815 -7.887 3.339 1.00 12.40 H new ATOM 876 N ARG A 56 -7.739 -8.056 3.421 1.00 24.41 N ATOM 877 CA ARG A 56 -7.147 -9.382 3.273 1.00 42.42 C ATOM 878 C ARG A 56 -6.030 -9.611 4.286 1.00 35.31 C ATOM 879 O ARG A 56 -5.298 -10.601 4.203 1.00 13.40 O ATOM 880 CB ARG A 56 -6.624 -9.592 1.853 1.00 1.01 C ATOM 881 CG ARG A 56 -7.724 -9.801 0.829 1.00 63.22 C ATOM 882 CD ARG A 56 -7.157 -10.176 -0.529 1.00 5.21 C ATOM 883 NE ARG A 56 -8.213 -10.551 -1.470 1.00 71.12 N ATOM 884 CZ ARG A 56 -8.001 -10.898 -2.737 1.00 72.21 C ATOM 885 NH1 ARG A 56 -6.766 -10.952 -3.221 1.00 1.25 N ATOM 886 NH2 ARG A 56 -9.023 -11.214 -3.519 1.00 3.30 N ATOM 0 H ARG A 56 -7.335 -7.342 2.814 1.00 24.41 H new ATOM 0 HA ARG A 56 -7.933 -10.112 3.466 1.00 42.42 H new ATOM 0 HB2 ARG A 56 -6.027 -8.728 1.562 1.00 1.01 H new ATOM 0 HB3 ARG A 56 -5.960 -10.456 1.843 1.00 1.01 H new ATOM 0 HG2 ARG A 56 -8.398 -10.586 1.172 1.00 63.22 H new ATOM 0 HG3 ARG A 56 -8.316 -8.890 0.738 1.00 63.22 H new ATOM 0 HD2 ARG A 56 -6.591 -9.336 -0.932 1.00 5.21 H new ATOM 0 HD3 ARG A 56 -6.459 -11.005 -0.416 1.00 5.21 H new ATOM 0 HE ARG A 56 -9.175 -10.546 -1.132 1.00 71.12 H new ATOM 0 HH11 ARG A 56 -5.973 -10.727 -2.621 1.00 1.25 H new ATOM 0 HH12 ARG A 56 -6.610 -11.219 -4.193 1.00 1.25 H new ATOM 0 HH21 ARG A 56 -9.974 -11.191 -3.150 1.00 3.30 H new ATOM 0 HH22 ARG A 56 -8.859 -11.480 -4.490 1.00 3.30 H new ATOM 900 N LYS A 57 -5.910 -8.685 5.240 1.00 60.34 N ATOM 901 CA LYS A 57 -4.945 -8.791 6.341 1.00 74.54 C ATOM 902 C LYS A 57 -3.513 -8.768 5.812 1.00 24.52 C ATOM 903 O LYS A 57 -2.587 -9.239 6.467 1.00 63.14 O ATOM 904 CB LYS A 57 -5.185 -10.073 7.154 1.00 10.02 C ATOM 905 CG LYS A 57 -6.636 -10.289 7.568 1.00 30.12 C ATOM 906 CD LYS A 57 -7.157 -9.153 8.432 1.00 0.15 C ATOM 907 CE LYS A 57 -8.593 -9.405 8.868 1.00 51.53 C ATOM 908 NZ LYS A 57 -9.148 -8.265 9.642 1.00 51.24 N ATOM 0 H LYS A 57 -6.479 -7.839 5.273 1.00 60.34 H new ATOM 0 HA LYS A 57 -5.088 -7.931 6.995 1.00 74.54 H new ATOM 0 HB2 LYS A 57 -4.856 -10.930 6.566 1.00 10.02 H new ATOM 0 HB3 LYS A 57 -4.564 -10.043 8.049 1.00 10.02 H new ATOM 0 HG2 LYS A 57 -7.257 -10.381 6.677 1.00 30.12 H new ATOM 0 HG3 LYS A 57 -6.721 -11.228 8.114 1.00 30.12 H new ATOM 0 HD2 LYS A 57 -6.522 -9.041 9.311 1.00 0.15 H new ATOM 0 HD3 LYS A 57 -7.102 -8.216 7.877 1.00 0.15 H new ATOM 0 HE2 LYS A 57 -9.213 -9.582 7.989 1.00 51.53 H new ATOM 0 HE3 LYS A 57 -8.634 -10.309 9.475 1.00 51.53 H new ATOM 0 HZ1 LYS A 57 -10.127 -8.478 9.919 1.00 51.24 H new ATOM 0 HZ2 LYS A 57 -8.572 -8.111 10.494 1.00 51.24 H new ATOM 0 HZ3 LYS A 57 -9.133 -7.407 9.055 1.00 51.24 H new ATOM 922 N ILE A 58 -3.342 -8.190 4.633 1.00 23.20 N ATOM 923 CA ILE A 58 -2.043 -8.133 3.983 1.00 35.01 C ATOM 924 C ILE A 58 -1.250 -6.933 4.475 1.00 12.35 C ATOM 925 O ILE A 58 -0.057 -7.034 4.740 1.00 60.42 O ATOM 926 CB ILE A 58 -2.190 -8.058 2.450 1.00 43.15 C ATOM 927 CG1 ILE A 58 -3.000 -9.252 1.938 1.00 51.31 C ATOM 928 CG2 ILE A 58 -0.821 -8.020 1.786 1.00 73.44 C ATOM 929 CD1 ILE A 58 -3.330 -9.175 0.465 1.00 72.04 C ATOM 0 H ILE A 58 -4.095 -7.750 4.103 1.00 23.20 H new ATOM 0 HA ILE A 58 -1.508 -9.048 4.239 1.00 35.01 H new ATOM 0 HB ILE A 58 -2.721 -7.141 2.195 1.00 43.15 H new ATOM 0 HG12 ILE A 58 -2.441 -10.168 2.129 1.00 51.31 H new ATOM 0 HG13 ILE A 58 -3.928 -9.321 2.506 1.00 51.31 H new ATOM 0 HG21 ILE A 58 -0.943 -7.967 0.704 1.00 73.44 H new ATOM 0 HG22 ILE A 58 -0.273 -7.144 2.133 1.00 73.44 H new ATOM 0 HG23 ILE A 58 -0.266 -8.922 2.045 1.00 73.44 H new ATOM 0 HD11 ILE A 58 -3.905 -10.054 0.174 1.00 72.04 H new ATOM 0 HD12 ILE A 58 -3.917 -8.277 0.270 1.00 72.04 H new ATOM 0 HD13 ILE A 58 -2.407 -9.138 -0.113 1.00 72.04 H new ATOM 941 N VAL A 59 -1.920 -5.798 4.602 1.00 75.13 N ATOM 942 CA VAL A 59 -1.274 -4.585 5.089 1.00 54.33 C ATOM 943 C VAL A 59 -2.125 -3.930 6.165 1.00 41.24 C ATOM 944 O VAL A 59 -3.322 -4.202 6.271 1.00 42.52 O ATOM 945 CB VAL A 59 -1.031 -3.558 3.959 1.00 11.20 C ATOM 946 CG1 VAL A 59 -0.092 -4.114 2.901 1.00 62.40 C ATOM 947 CG2 VAL A 59 -2.347 -3.122 3.333 1.00 33.23 C ATOM 0 H VAL A 59 -2.909 -5.690 4.376 1.00 75.13 H new ATOM 0 HA VAL A 59 -0.309 -4.885 5.497 1.00 54.33 H new ATOM 0 HB VAL A 59 -0.555 -2.683 4.402 1.00 11.20 H new ATOM 0 HG11 VAL A 59 0.059 -3.368 2.120 1.00 62.40 H new ATOM 0 HG12 VAL A 59 0.866 -4.360 3.358 1.00 62.40 H new ATOM 0 HG13 VAL A 59 -0.527 -5.013 2.465 1.00 62.40 H new ATOM 0 HG21 VAL A 59 -2.151 -2.400 2.541 1.00 33.23 H new ATOM 0 HG22 VAL A 59 -2.856 -3.990 2.915 1.00 33.23 H new ATOM 0 HG23 VAL A 59 -2.978 -2.663 4.094 1.00 33.23 H new ATOM 957 N THR A 60 -1.513 -3.069 6.961 1.00 1.32 N ATOM 958 CA THR A 60 -2.248 -2.322 7.961 1.00 32.02 C ATOM 959 C THR A 60 -1.838 -0.856 7.933 1.00 22.33 C ATOM 960 O THR A 60 -0.687 -0.523 7.637 1.00 74.01 O ATOM 961 CB THR A 60 -2.033 -2.897 9.382 1.00 74.11 C ATOM 962 OG1 THR A 60 -2.913 -2.257 10.319 1.00 60.41 O ATOM 963 CG2 THR A 60 -0.589 -2.726 9.839 1.00 0.33 C ATOM 0 H THR A 60 -0.513 -2.872 6.933 1.00 1.32 H new ATOM 0 HA THR A 60 -3.307 -2.410 7.719 1.00 32.02 H new ATOM 0 HB THR A 60 -2.257 -3.963 9.343 1.00 74.11 H new ATOM 0 HG1 THR A 60 -2.767 -2.632 11.213 1.00 60.41 H new ATOM 0 HG21 THR A 60 -0.473 -3.140 10.840 1.00 0.33 H new ATOM 0 HG22 THR A 60 0.075 -3.249 9.151 1.00 0.33 H new ATOM 0 HG23 THR A 60 -0.335 -1.666 9.853 1.00 0.33 H new ATOM 971 N TYR A 61 -2.794 0.009 8.226 1.00 1.44 N ATOM 972 CA TYR A 61 -2.543 1.435 8.329 1.00 24.21 C ATOM 973 C TYR A 61 -3.708 2.100 9.048 1.00 44.32 C ATOM 974 O TYR A 61 -4.876 1.782 8.782 1.00 23.04 O ATOM 975 CB TYR A 61 -2.322 2.065 6.941 1.00 52.23 C ATOM 976 CG TYR A 61 -3.540 2.069 6.038 1.00 22.11 C ATOM 977 CD1 TYR A 61 -4.038 0.892 5.491 1.00 62.41 C ATOM 978 CD2 TYR A 61 -4.184 3.260 5.727 1.00 61.14 C ATOM 979 CE1 TYR A 61 -5.148 0.903 4.667 1.00 62.10 C ATOM 980 CE2 TYR A 61 -5.294 3.280 4.904 1.00 34.34 C ATOM 981 CZ TYR A 61 -5.772 2.099 4.377 1.00 50.12 C ATOM 982 OH TYR A 61 -6.881 2.112 3.559 1.00 21.33 O ATOM 0 H TYR A 61 -3.763 -0.257 8.399 1.00 1.44 H new ATOM 0 HA TYR A 61 -1.630 1.592 8.903 1.00 24.21 H new ATOM 0 HB2 TYR A 61 -1.984 3.093 7.075 1.00 52.23 H new ATOM 0 HB3 TYR A 61 -1.518 1.528 6.439 1.00 52.23 H new ATOM 0 HD1 TYR A 61 -3.550 -0.046 5.713 1.00 62.41 H new ATOM 0 HD2 TYR A 61 -3.810 4.187 6.136 1.00 61.14 H new ATOM 0 HE1 TYR A 61 -5.525 -0.020 4.252 1.00 62.10 H new ATOM 0 HE2 TYR A 61 -5.784 4.215 4.675 1.00 34.34 H new ATOM 0 HH TYR A 61 -6.949 1.256 3.086 1.00 21.33 H new ATOM 992 N PRO A 62 -3.414 2.989 10.001 1.00 15.45 N ATOM 993 CA PRO A 62 -4.439 3.682 10.769 1.00 12.34 C ATOM 994 C PRO A 62 -5.037 4.842 9.990 1.00 75.32 C ATOM 995 O PRO A 62 -4.316 5.588 9.330 1.00 51.12 O ATOM 996 CB PRO A 62 -3.684 4.203 12.004 1.00 2.43 C ATOM 997 CG PRO A 62 -2.272 3.723 11.868 1.00 74.44 C ATOM 998 CD PRO A 62 -2.069 3.386 10.421 1.00 14.12 C ATOM 0 HA PRO A 62 -5.275 3.028 11.017 1.00 12.34 H new ATOM 0 HB2 PRO A 62 -3.722 5.291 12.052 1.00 2.43 H new ATOM 0 HB3 PRO A 62 -4.135 3.828 12.922 1.00 2.43 H new ATOM 0 HG2 PRO A 62 -1.569 4.492 12.189 1.00 74.44 H new ATOM 0 HG3 PRO A 62 -2.098 2.850 12.497 1.00 74.44 H new ATOM 0 HD2 PRO A 62 -1.701 4.240 9.852 1.00 14.12 H new ATOM 0 HD3 PRO A 62 -1.347 2.580 10.289 1.00 14.12 H new ATOM 1006 N GLY A 63 -6.350 4.996 10.085 1.00 33.14 N ATOM 1007 CA GLY A 63 -7.030 6.094 9.423 1.00 53.43 C ATOM 1008 C GLY A 63 -7.058 5.970 7.908 1.00 52.41 C ATOM 1009 O GLY A 63 -6.014 5.947 7.254 1.00 30.10 O ATOM 0 H GLY A 63 -6.962 4.375 10.613 1.00 33.14 H new ATOM 0 HA2 GLY A 63 -8.054 6.152 9.793 1.00 53.43 H new ATOM 0 HA3 GLY A 63 -6.540 7.029 9.693 1.00 53.43 H new ATOM 1013 N GLU A 64 -8.256 5.890 7.348 1.00 70.51 N ATOM 1014 CA GLU A 64 -8.424 5.921 5.901 1.00 15.43 C ATOM 1015 C GLU A 64 -8.406 7.363 5.397 1.00 12.03 C ATOM 1016 O GLU A 64 -8.107 7.623 4.232 1.00 3.33 O ATOM 1017 CB GLU A 64 -9.728 5.232 5.473 1.00 5.35 C ATOM 1018 CG GLU A 64 -9.642 3.712 5.374 1.00 50.50 C ATOM 1019 CD GLU A 64 -9.600 3.007 6.716 1.00 31.31 C ATOM 1020 OE1 GLU A 64 -10.036 3.598 7.724 1.00 55.20 O ATOM 1021 OE2 GLU A 64 -9.158 1.834 6.762 1.00 71.12 O ATOM 0 H GLU A 64 -9.126 5.803 7.873 1.00 70.51 H new ATOM 0 HA GLU A 64 -7.592 5.375 5.458 1.00 15.43 H new ATOM 0 HB2 GLU A 64 -10.511 5.493 6.185 1.00 5.35 H new ATOM 0 HB3 GLU A 64 -10.032 5.629 4.505 1.00 5.35 H new ATOM 0 HG2 GLU A 64 -10.500 3.346 4.810 1.00 50.50 H new ATOM 0 HG3 GLU A 64 -8.750 3.445 4.807 1.00 50.50 H new ATOM 1028 N LEU A 65 -8.733 8.295 6.286 1.00 60.11 N ATOM 1029 CA LEU A 65 -8.714 9.715 5.957 1.00 4.00 C ATOM 1030 C LEU A 65 -7.281 10.192 5.717 1.00 15.21 C ATOM 1031 O LEU A 65 -6.389 9.968 6.539 1.00 65.24 O ATOM 1032 CB LEU A 65 -9.390 10.526 7.076 1.00 73.12 C ATOM 1033 CG LEU A 65 -8.794 10.361 8.479 1.00 11.43 C ATOM 1034 CD1 LEU A 65 -7.825 11.492 8.796 1.00 22.34 C ATOM 1035 CD2 LEU A 65 -9.897 10.296 9.524 1.00 34.52 C ATOM 0 H LEU A 65 -9.016 8.090 7.244 1.00 60.11 H new ATOM 0 HA LEU A 65 -9.275 9.871 5.036 1.00 4.00 H new ATOM 0 HB2 LEU A 65 -9.350 11.582 6.808 1.00 73.12 H new ATOM 0 HB3 LEU A 65 -10.443 10.247 7.115 1.00 73.12 H new ATOM 0 HG LEU A 65 -8.239 9.423 8.502 1.00 11.43 H new ATOM 0 HD11 LEU A 65 -7.416 11.351 9.797 1.00 22.34 H new ATOM 0 HD12 LEU A 65 -7.013 11.490 8.069 1.00 22.34 H new ATOM 0 HD13 LEU A 65 -8.351 12.446 8.750 1.00 22.34 H new ATOM 0 HD21 LEU A 65 -9.455 10.179 10.513 1.00 34.52 H new ATOM 0 HD22 LEU A 65 -10.481 11.216 9.494 1.00 34.52 H new ATOM 0 HD23 LEU A 65 -10.547 9.447 9.314 1.00 34.52 H new ATOM 1047 N LEU A 66 -7.055 10.831 4.578 1.00 34.13 N ATOM 1048 CA LEU A 66 -5.715 11.265 4.205 1.00 65.31 C ATOM 1049 C LEU A 66 -5.757 12.454 3.250 1.00 13.34 C ATOM 1050 O LEU A 66 -4.752 12.798 2.628 1.00 33.40 O ATOM 1051 CB LEU A 66 -4.949 10.087 3.584 1.00 41.15 C ATOM 1052 CG LEU A 66 -5.715 9.284 2.525 1.00 14.42 C ATOM 1053 CD1 LEU A 66 -5.631 9.947 1.159 1.00 11.51 C ATOM 1054 CD2 LEU A 66 -5.197 7.856 2.467 1.00 50.12 C ATOM 0 H LEU A 66 -7.779 11.060 3.897 1.00 34.13 H new ATOM 0 HA LEU A 66 -5.194 11.596 5.104 1.00 65.31 H new ATOM 0 HB2 LEU A 66 -4.034 10.469 3.133 1.00 41.15 H new ATOM 0 HB3 LEU A 66 -4.651 9.409 4.383 1.00 41.15 H new ATOM 0 HG LEU A 66 -6.766 9.260 2.814 1.00 14.42 H new ATOM 0 HD11 LEU A 66 -6.184 9.353 0.432 1.00 11.51 H new ATOM 0 HD12 LEU A 66 -6.061 10.947 1.213 1.00 11.51 H new ATOM 0 HD13 LEU A 66 -4.587 10.017 0.852 1.00 11.51 H new ATOM 0 HD21 LEU A 66 -5.750 7.299 1.711 1.00 50.12 H new ATOM 0 HD22 LEU A 66 -4.138 7.863 2.210 1.00 50.12 H new ATOM 0 HD23 LEU A 66 -5.331 7.381 3.439 1.00 50.12 H new ATOM 1066 N LEU A 67 -6.906 13.113 3.180 1.00 10.41 N ATOM 1067 CA LEU A 67 -7.114 14.192 2.216 1.00 41.30 C ATOM 1068 C LEU A 67 -6.331 15.437 2.608 1.00 71.12 C ATOM 1069 O LEU A 67 -6.006 16.269 1.766 1.00 12.10 O ATOM 1070 CB LEU A 67 -8.604 14.539 2.091 1.00 53.22 C ATOM 1071 CG LEU A 67 -9.483 13.503 1.374 1.00 23.41 C ATOM 1072 CD1 LEU A 67 -9.665 12.244 2.213 1.00 31.02 C ATOM 1073 CD2 LEU A 67 -10.833 14.113 1.027 1.00 43.11 C ATOM 0 H LEU A 67 -7.710 12.921 3.778 1.00 10.41 H new ATOM 0 HA LEU A 67 -6.751 13.839 1.251 1.00 41.30 H new ATOM 0 HB2 LEU A 67 -9.005 14.694 3.093 1.00 53.22 H new ATOM 0 HB3 LEU A 67 -8.692 15.488 1.562 1.00 53.22 H new ATOM 0 HG LEU A 67 -8.976 13.213 0.454 1.00 23.41 H new ATOM 0 HD11 LEU A 67 -10.292 11.535 1.673 1.00 31.02 H new ATOM 0 HD12 LEU A 67 -8.692 11.793 2.408 1.00 31.02 H new ATOM 0 HD13 LEU A 67 -10.141 12.503 3.159 1.00 31.02 H new ATOM 0 HD21 LEU A 67 -11.448 13.370 0.519 1.00 43.11 H new ATOM 0 HD22 LEU A 67 -11.333 14.434 1.941 1.00 43.11 H new ATOM 0 HD23 LEU A 67 -10.687 14.972 0.372 1.00 43.11 H new ATOM 1085 N GLN A 68 -6.022 15.553 3.892 1.00 54.33 N ATOM 1086 CA GLN A 68 -5.301 16.711 4.405 1.00 50.44 C ATOM 1087 C GLN A 68 -3.790 16.489 4.363 1.00 12.20 C ATOM 1088 O GLN A 68 -3.022 17.273 4.920 1.00 61.11 O ATOM 1089 CB GLN A 68 -5.749 17.012 5.836 1.00 34.14 C ATOM 1090 CG GLN A 68 -7.240 17.279 5.957 1.00 2.42 C ATOM 1091 CD GLN A 68 -7.656 17.701 7.351 1.00 10.12 C ATOM 1092 OE1 GLN A 68 -7.054 17.298 8.351 1.00 2.43 O ATOM 1093 NE2 GLN A 68 -8.695 18.513 7.428 1.00 43.32 N ATOM 0 H GLN A 68 -6.260 14.858 4.600 1.00 54.33 H new ATOM 0 HA GLN A 68 -5.532 17.564 3.767 1.00 50.44 H new ATOM 0 HB2 GLN A 68 -5.485 16.170 6.476 1.00 34.14 H new ATOM 0 HB3 GLN A 68 -5.201 17.878 6.206 1.00 34.14 H new ATOM 0 HG2 GLN A 68 -7.522 18.058 5.248 1.00 2.42 H new ATOM 0 HG3 GLN A 68 -7.788 16.379 5.677 1.00 2.42 H new ATOM 0 HE21 GLN A 68 -9.164 18.823 6.577 1.00 43.32 H new ATOM 0 HE22 GLN A 68 -9.028 18.830 8.338 1.00 43.32 H new ATOM 1102 N GLY A 69 -3.370 15.415 3.693 1.00 32.44 N ATOM 1103 CA GLY A 69 -1.952 15.113 3.577 1.00 50.41 C ATOM 1104 C GLY A 69 -1.330 14.736 4.906 1.00 33.33 C ATOM 1105 O GLY A 69 -0.127 14.881 5.104 1.00 41.11 O ATOM 0 H GLY A 69 -3.988 14.749 3.229 1.00 32.44 H new ATOM 0 HA2 GLY A 69 -1.814 14.295 2.870 1.00 50.41 H new ATOM 0 HA3 GLY A 69 -1.431 15.979 3.168 1.00 50.41 H new ATOM 1109 N VAL A 70 -2.157 14.240 5.816 1.00 73.24 N ATOM 1110 CA VAL A 70 -1.708 13.882 7.155 1.00 3.12 C ATOM 1111 C VAL A 70 -1.111 12.470 7.171 1.00 30.31 C ATOM 1112 O VAL A 70 -0.622 11.989 8.191 1.00 63.51 O ATOM 1113 CB VAL A 70 -2.880 13.975 8.164 1.00 30.10 C ATOM 1114 CG1 VAL A 70 -3.913 12.887 7.903 1.00 41.50 C ATOM 1115 CG2 VAL A 70 -2.379 13.918 9.598 1.00 12.22 C ATOM 0 H VAL A 70 -3.150 14.075 5.650 1.00 73.24 H new ATOM 0 HA VAL A 70 -0.932 14.589 7.451 1.00 3.12 H new ATOM 0 HB VAL A 70 -3.365 14.941 8.020 1.00 30.10 H new ATOM 0 HG11 VAL A 70 -4.725 12.975 8.625 1.00 41.50 H new ATOM 0 HG12 VAL A 70 -4.311 12.998 6.894 1.00 41.50 H new ATOM 0 HG13 VAL A 70 -3.444 11.908 8.002 1.00 41.50 H new ATOM 0 HG21 VAL A 70 -3.225 13.986 10.282 1.00 12.22 H new ATOM 0 HG22 VAL A 70 -1.853 12.977 9.763 1.00 12.22 H new ATOM 0 HG23 VAL A 70 -1.699 14.750 9.779 1.00 12.22 H new ATOM 1125 N HIS A 71 -1.149 11.809 6.026 1.00 41.30 N ATOM 1126 CA HIS A 71 -0.690 10.430 5.933 1.00 53.52 C ATOM 1127 C HIS A 71 0.636 10.319 5.201 1.00 73.13 C ATOM 1128 O HIS A 71 1.077 9.217 4.886 1.00 5.41 O ATOM 1129 CB HIS A 71 -1.741 9.560 5.247 1.00 73.44 C ATOM 1130 CG HIS A 71 -2.607 8.815 6.212 1.00 62.52 C ATOM 1131 ND1 HIS A 71 -3.395 9.436 7.159 1.00 14.12 N ATOM 1132 CD2 HIS A 71 -2.788 7.486 6.390 1.00 3.02 C ATOM 1133 CE1 HIS A 71 -4.015 8.521 7.877 1.00 3.55 C ATOM 1134 NE2 HIS A 71 -3.666 7.333 7.430 1.00 10.43 N ATOM 0 H HIS A 71 -1.492 12.202 5.149 1.00 41.30 H new ATOM 0 HA HIS A 71 -0.537 10.073 6.951 1.00 53.52 H new ATOM 0 HB2 HIS A 71 -2.369 10.189 4.616 1.00 73.44 H new ATOM 0 HB3 HIS A 71 -1.242 8.847 4.591 1.00 73.44 H new ATOM 0 HD2 HIS A 71 -2.326 6.694 5.819 1.00 3.02 H new ATOM 0 HE1 HIS A 71 -4.695 8.713 8.694 1.00 3.55 H new ATOM 0 HE2 HIS A 71 -3.997 6.441 7.799 1.00 10.43 H new ATOM 1143 N ASP A 72 1.287 11.448 4.961 1.00 22.54 N ATOM 1144 CA ASP A 72 2.557 11.446 4.240 1.00 0.13 C ATOM 1145 C ASP A 72 3.632 10.716 5.035 1.00 13.43 C ATOM 1146 O ASP A 72 4.430 9.963 4.476 1.00 4.40 O ATOM 1147 CB ASP A 72 3.021 12.874 3.946 1.00 53.31 C ATOM 1148 CG ASP A 72 4.438 12.914 3.401 1.00 31.33 C ATOM 1149 OD1 ASP A 72 4.610 12.799 2.171 1.00 51.43 O ATOM 1150 OD2 ASP A 72 5.389 13.062 4.207 1.00 73.42 O ATOM 0 H ASP A 72 0.963 12.371 5.251 1.00 22.54 H new ATOM 0 HA ASP A 72 2.397 10.924 3.296 1.00 0.13 H new ATOM 0 HB2 ASP A 72 2.343 13.334 3.227 1.00 53.31 H new ATOM 0 HB3 ASP A 72 2.967 13.467 4.859 1.00 53.31 H new ATOM 1155 N ASP A 73 3.624 10.915 6.346 1.00 62.32 N ATOM 1156 CA ASP A 73 4.645 10.331 7.204 1.00 55.35 C ATOM 1157 C ASP A 73 4.160 9.020 7.815 1.00 22.12 C ATOM 1158 O ASP A 73 4.809 8.445 8.687 1.00 75.33 O ATOM 1159 CB ASP A 73 5.042 11.316 8.300 1.00 44.05 C ATOM 1160 CG ASP A 73 6.395 10.988 8.901 1.00 74.23 C ATOM 1161 OD1 ASP A 73 7.418 11.218 8.216 1.00 50.23 O ATOM 1162 OD2 ASP A 73 6.443 10.511 10.052 1.00 40.55 O ATOM 0 H ASP A 73 2.925 11.474 6.836 1.00 62.32 H new ATOM 0 HA ASP A 73 5.521 10.115 6.593 1.00 55.35 H new ATOM 0 HB2 ASP A 73 5.064 12.325 7.889 1.00 44.05 H new ATOM 0 HB3 ASP A 73 4.286 11.308 9.085 1.00 44.05 H new ATOM 1167 N VAL A 74 3.018 8.547 7.344 1.00 21.41 N ATOM 1168 CA VAL A 74 2.461 7.299 7.834 1.00 52.04 C ATOM 1169 C VAL A 74 3.017 6.125 7.041 1.00 0.24 C ATOM 1170 O VAL A 74 2.794 6.021 5.833 1.00 44.05 O ATOM 1171 CB VAL A 74 0.919 7.292 7.752 1.00 51.43 C ATOM 1172 CG1 VAL A 74 0.358 5.933 8.148 1.00 42.15 C ATOM 1173 CG2 VAL A 74 0.331 8.384 8.634 1.00 42.14 C ATOM 0 H VAL A 74 2.460 9.008 6.625 1.00 21.41 H new ATOM 0 HA VAL A 74 2.748 7.203 8.881 1.00 52.04 H new ATOM 0 HB VAL A 74 0.637 7.489 6.718 1.00 51.43 H new ATOM 0 HG11 VAL A 74 -0.730 5.955 8.082 1.00 42.15 H new ATOM 0 HG12 VAL A 74 0.747 5.169 7.475 1.00 42.15 H new ATOM 0 HG13 VAL A 74 0.654 5.701 9.171 1.00 42.15 H new ATOM 0 HG21 VAL A 74 -0.756 8.363 8.563 1.00 42.14 H new ATOM 0 HG22 VAL A 74 0.630 8.216 9.669 1.00 42.14 H new ATOM 0 HG23 VAL A 74 0.698 9.356 8.303 1.00 42.14 H new ATOM 1183 N ASP A 75 3.754 5.260 7.720 1.00 2.30 N ATOM 1184 CA ASP A 75 4.304 4.067 7.097 1.00 12.21 C ATOM 1185 C ASP A 75 3.250 2.980 7.023 1.00 50.03 C ATOM 1186 O ASP A 75 2.641 2.617 8.032 1.00 63.05 O ATOM 1187 CB ASP A 75 5.523 3.551 7.868 1.00 34.33 C ATOM 1188 CG ASP A 75 6.776 4.352 7.584 1.00 42.42 C ATOM 1189 OD1 ASP A 75 7.508 3.999 6.636 1.00 70.42 O ATOM 1190 OD2 ASP A 75 7.044 5.326 8.317 1.00 72.03 O ATOM 0 H ASP A 75 3.986 5.363 8.708 1.00 2.30 H new ATOM 0 HA ASP A 75 4.621 4.333 6.089 1.00 12.21 H new ATOM 0 HB2 ASP A 75 5.311 3.582 8.937 1.00 34.33 H new ATOM 0 HB3 ASP A 75 5.697 2.507 7.608 1.00 34.33 H new ATOM 1195 N ILE A 76 3.027 2.475 5.823 1.00 20.22 N ATOM 1196 CA ILE A 76 2.107 1.374 5.622 1.00 51.11 C ATOM 1197 C ILE A 76 2.855 0.068 5.861 1.00 54.30 C ATOM 1198 O ILE A 76 3.817 -0.244 5.155 1.00 32.12 O ATOM 1199 CB ILE A 76 1.512 1.380 4.194 1.00 41.55 C ATOM 1200 CG1 ILE A 76 1.036 2.788 3.803 1.00 74.32 C ATOM 1201 CG2 ILE A 76 0.367 0.379 4.091 1.00 63.21 C ATOM 1202 CD1 ILE A 76 -0.045 3.358 4.695 1.00 33.02 C ATOM 0 H ILE A 76 3.473 2.813 4.970 1.00 20.22 H new ATOM 0 HA ILE A 76 1.279 1.478 6.323 1.00 51.11 H new ATOM 0 HB ILE A 76 2.296 1.084 3.497 1.00 41.55 H new ATOM 0 HG12 ILE A 76 1.892 3.463 3.815 1.00 74.32 H new ATOM 0 HG13 ILE A 76 0.666 2.761 2.778 1.00 74.32 H new ATOM 0 HG21 ILE A 76 -0.041 0.395 3.080 1.00 63.21 H new ATOM 0 HG22 ILE A 76 0.737 -0.621 4.317 1.00 63.21 H new ATOM 0 HG23 ILE A 76 -0.415 0.646 4.802 1.00 63.21 H new ATOM 0 HD11 ILE A 76 -0.319 4.353 4.345 1.00 33.02 H new ATOM 0 HD12 ILE A 76 -0.921 2.709 4.666 1.00 33.02 H new ATOM 0 HD13 ILE A 76 0.324 3.423 5.718 1.00 33.02 H new ATOM 1214 N ILE A 77 2.427 -0.673 6.870 1.00 60.21 N ATOM 1215 CA ILE A 77 3.157 -1.851 7.312 1.00 21.34 C ATOM 1216 C ILE A 77 2.571 -3.126 6.714 1.00 55.12 C ATOM 1217 O ILE A 77 1.359 -3.352 6.767 1.00 12.01 O ATOM 1218 CB ILE A 77 3.161 -1.948 8.854 1.00 15.32 C ATOM 1219 CG1 ILE A 77 3.744 -0.664 9.459 1.00 24.43 C ATOM 1220 CG2 ILE A 77 3.951 -3.167 9.316 1.00 0.52 C ATOM 1221 CD1 ILE A 77 3.742 -0.637 10.972 1.00 13.13 C ATOM 0 H ILE A 77 1.577 -0.480 7.399 1.00 60.21 H new ATOM 0 HA ILE A 77 4.184 -1.748 6.961 1.00 21.34 H new ATOM 0 HB ILE A 77 2.133 -2.063 9.199 1.00 15.32 H new ATOM 0 HG12 ILE A 77 4.768 -0.541 9.106 1.00 24.43 H new ATOM 0 HG13 ILE A 77 3.175 0.189 9.090 1.00 24.43 H new ATOM 0 HG21 ILE A 77 3.941 -3.216 10.405 1.00 0.52 H new ATOM 0 HG22 ILE A 77 3.498 -4.070 8.908 1.00 0.52 H new ATOM 0 HG23 ILE A 77 4.980 -3.088 8.966 1.00 0.52 H new ATOM 0 HD11 ILE A 77 4.170 0.303 11.320 1.00 13.13 H new ATOM 0 HD12 ILE A 77 2.719 -0.727 11.336 1.00 13.13 H new ATOM 0 HD13 ILE A 77 4.336 -1.468 11.352 1.00 13.13 H new ATOM 1233 N LEU A 78 3.444 -3.946 6.142 1.00 21.44 N ATOM 1234 CA LEU A 78 3.050 -5.220 5.558 1.00 33.11 C ATOM 1235 C LEU A 78 2.898 -6.275 6.653 1.00 52.01 C ATOM 1236 O LEU A 78 3.837 -6.537 7.406 1.00 5.24 O ATOM 1237 CB LEU A 78 4.103 -5.675 4.538 1.00 21.31 C ATOM 1238 CG LEU A 78 3.730 -6.895 3.696 1.00 22.34 C ATOM 1239 CD1 LEU A 78 2.614 -6.555 2.725 1.00 74.03 C ATOM 1240 CD2 LEU A 78 4.948 -7.412 2.947 1.00 12.15 C ATOM 0 H LEU A 78 4.442 -3.747 6.070 1.00 21.44 H new ATOM 0 HA LEU A 78 2.093 -5.095 5.052 1.00 33.11 H new ATOM 0 HB2 LEU A 78 4.313 -4.843 3.865 1.00 21.31 H new ATOM 0 HB3 LEU A 78 5.028 -5.894 5.072 1.00 21.31 H new ATOM 0 HG LEU A 78 3.374 -7.679 4.364 1.00 22.34 H new ATOM 0 HD11 LEU A 78 2.364 -7.437 2.135 1.00 74.03 H new ATOM 0 HD12 LEU A 78 1.735 -6.229 3.281 1.00 74.03 H new ATOM 0 HD13 LEU A 78 2.941 -5.755 2.061 1.00 74.03 H new ATOM 0 HD21 LEU A 78 4.667 -8.281 2.352 1.00 12.15 H new ATOM 0 HD22 LEU A 78 5.330 -6.630 2.290 1.00 12.15 H new ATOM 0 HD23 LEU A 78 5.721 -7.696 3.661 1.00 12.15 H new ATOM 1252 N LEU A 79 1.714 -6.861 6.742 1.00 12.01 N ATOM 1253 CA LEU A 79 1.433 -7.893 7.734 1.00 22.43 C ATOM 1254 C LEU A 79 1.597 -9.280 7.125 1.00 73.13 C ATOM 1255 O LEU A 79 2.102 -10.199 7.767 1.00 61.12 O ATOM 1256 CB LEU A 79 0.005 -7.752 8.269 1.00 10.14 C ATOM 1257 CG LEU A 79 -0.292 -6.458 9.025 1.00 32.25 C ATOM 1258 CD1 LEU A 79 -1.752 -6.419 9.448 1.00 3.13 C ATOM 1259 CD2 LEU A 79 0.620 -6.323 10.234 1.00 2.44 C ATOM 0 H LEU A 79 0.925 -6.639 6.135 1.00 12.01 H new ATOM 0 HA LEU A 79 2.142 -7.769 8.553 1.00 22.43 H new ATOM 0 HB2 LEU A 79 -0.687 -7.829 7.431 1.00 10.14 H new ATOM 0 HB3 LEU A 79 -0.201 -8.594 8.930 1.00 10.14 H new ATOM 0 HG LEU A 79 -0.101 -5.616 8.360 1.00 32.25 H new ATOM 0 HD11 LEU A 79 -1.950 -5.492 9.986 1.00 3.13 H new ATOM 0 HD12 LEU A 79 -2.388 -6.469 8.564 1.00 3.13 H new ATOM 0 HD13 LEU A 79 -1.965 -7.268 10.098 1.00 3.13 H new ATOM 0 HD21 LEU A 79 0.393 -5.395 10.759 1.00 2.44 H new ATOM 0 HD22 LEU A 79 0.462 -7.168 10.905 1.00 2.44 H new ATOM 0 HD23 LEU A 79 1.659 -6.309 9.906 1.00 2.44 H new ATOM 1271 N GLN A 80 1.163 -9.421 5.883 1.00 51.45 N ATOM 1272 CA GLN A 80 1.215 -10.699 5.189 1.00 40.32 C ATOM 1273 C GLN A 80 2.027 -10.541 3.911 1.00 12.40 C ATOM 1274 O GLN A 80 1.802 -9.611 3.139 1.00 62.02 O ATOM 1275 CB GLN A 80 -0.218 -11.163 4.892 1.00 24.15 C ATOM 1276 CG GLN A 80 -0.339 -12.561 4.306 1.00 40.13 C ATOM 1277 CD GLN A 80 -0.481 -12.560 2.797 1.00 31.22 C ATOM 1278 OE1 GLN A 80 0.503 -12.640 2.068 1.00 54.54 O ATOM 1279 NE2 GLN A 80 -1.715 -12.464 2.319 1.00 63.34 N ATOM 0 H GLN A 80 0.768 -8.660 5.331 1.00 51.45 H new ATOM 0 HA GLN A 80 1.699 -11.455 5.807 1.00 40.32 H new ATOM 0 HB2 GLN A 80 -0.794 -11.123 5.816 1.00 24.15 H new ATOM 0 HB3 GLN A 80 -0.675 -10.456 4.200 1.00 24.15 H new ATOM 0 HG2 GLN A 80 0.541 -13.142 4.582 1.00 40.13 H new ATOM 0 HG3 GLN A 80 -1.202 -13.060 4.746 1.00 40.13 H new ATOM 0 HE21 GLN A 80 -2.506 -12.400 2.959 1.00 63.34 H new ATOM 0 HE22 GLN A 80 -1.872 -12.455 1.311 1.00 63.34 H new ATOM 1288 N ASP A 81 2.964 -11.448 3.683 1.00 34.24 N ATOM 1289 CA ASP A 81 3.877 -11.311 2.557 1.00 62.33 C ATOM 1290 C ASP A 81 3.623 -12.359 1.487 1.00 52.33 C ATOM 1291 O ASP A 81 3.792 -13.557 1.718 1.00 65.22 O ATOM 1292 CB ASP A 81 5.333 -11.399 3.013 1.00 21.11 C ATOM 1293 CG ASP A 81 6.291 -11.393 1.835 1.00 35.40 C ATOM 1294 OD1 ASP A 81 6.259 -10.430 1.044 1.00 11.31 O ATOM 1295 OD2 ASP A 81 7.063 -12.365 1.678 1.00 21.31 O ATOM 0 H ASP A 81 3.112 -12.279 4.255 1.00 34.24 H new ATOM 0 HA ASP A 81 3.692 -10.327 2.127 1.00 62.33 H new ATOM 0 HB2 ASP A 81 5.560 -10.560 3.671 1.00 21.11 H new ATOM 0 HB3 ASP A 81 5.478 -12.309 3.595 1.00 21.11 H new ATOM 1300 N LEU A 82 3.217 -11.890 0.319 1.00 62.04 N ATOM 1301 CA LEU A 82 3.075 -12.741 -0.852 1.00 5.23 C ATOM 1302 C LEU A 82 3.852 -12.143 -2.020 1.00 62.24 C ATOM 1303 O LEU A 82 4.570 -12.845 -2.732 1.00 41.20 O ATOM 1304 CB LEU A 82 1.598 -12.919 -1.241 1.00 4.43 C ATOM 1305 CG LEU A 82 0.876 -11.660 -1.736 1.00 73.31 C ATOM 1306 CD1 LEU A 82 -0.385 -12.042 -2.486 1.00 4.21 C ATOM 1307 CD2 LEU A 82 0.535 -10.742 -0.574 1.00 62.22 C ATOM 0 H LEU A 82 2.977 -10.912 0.155 1.00 62.04 H new ATOM 0 HA LEU A 82 3.478 -13.724 -0.608 1.00 5.23 H new ATOM 0 HB2 LEU A 82 1.537 -13.679 -2.020 1.00 4.43 H new ATOM 0 HB3 LEU A 82 1.059 -13.306 -0.376 1.00 4.43 H new ATOM 0 HG LEU A 82 1.543 -11.125 -2.412 1.00 73.31 H new ATOM 0 HD11 LEU A 82 -0.889 -11.140 -2.833 1.00 4.21 H new ATOM 0 HD12 LEU A 82 -0.125 -12.664 -3.342 1.00 4.21 H new ATOM 0 HD13 LEU A 82 -1.049 -12.597 -1.823 1.00 4.21 H new ATOM 0 HD21 LEU A 82 0.023 -9.855 -0.949 1.00 62.22 H new ATOM 0 HD22 LEU A 82 -0.115 -11.267 0.126 1.00 62.22 H new ATOM 0 HD23 LEU A 82 1.451 -10.444 -0.065 1.00 62.22 H new ATOM 1319 N GLU A 83 3.716 -10.827 -2.171 1.00 72.23 N ATOM 1320 CA GLU A 83 4.319 -10.064 -3.261 1.00 63.44 C ATOM 1321 C GLU A 83 3.831 -10.549 -4.628 1.00 33.33 C ATOM 1322 O GLU A 83 2.831 -10.057 -5.146 1.00 23.44 O ATOM 1323 CB GLU A 83 5.852 -10.085 -3.190 1.00 32.44 C ATOM 1324 CG GLU A 83 6.513 -9.234 -4.267 1.00 30.32 C ATOM 1325 CD GLU A 83 8.024 -9.282 -4.218 1.00 1.33 C ATOM 1326 OE1 GLU A 83 8.592 -10.390 -4.241 1.00 43.31 O ATOM 1327 OE2 GLU A 83 8.653 -8.205 -4.164 1.00 35.15 O ATOM 0 H GLU A 83 3.174 -10.251 -1.527 1.00 72.23 H new ATOM 0 HA GLU A 83 3.995 -9.030 -3.139 1.00 63.44 H new ATOM 0 HB2 GLU A 83 6.169 -9.730 -2.209 1.00 32.44 H new ATOM 0 HB3 GLU A 83 6.200 -11.114 -3.284 1.00 32.44 H new ATOM 0 HG2 GLU A 83 6.176 -9.573 -5.247 1.00 30.32 H new ATOM 0 HG3 GLU A 83 6.185 -8.200 -4.157 1.00 30.32 H new ATOM 1334 N HIS A 84 4.515 -11.532 -5.195 1.00 75.43 N ATOM 1335 CA HIS A 84 4.226 -11.968 -6.551 1.00 14.35 C ATOM 1336 C HIS A 84 4.612 -13.430 -6.727 1.00 1.02 C ATOM 1337 O HIS A 84 5.675 -13.853 -6.274 1.00 34.42 O ATOM 1338 CB HIS A 84 5.008 -11.099 -7.545 1.00 35.01 C ATOM 1339 CG HIS A 84 4.381 -10.991 -8.901 1.00 23.21 C ATOM 1340 ND1 HIS A 84 4.208 -9.789 -9.544 1.00 51.42 N ATOM 1341 CD2 HIS A 84 3.892 -11.936 -9.737 1.00 1.42 C ATOM 1342 CE1 HIS A 84 3.639 -9.997 -10.715 1.00 31.22 C ATOM 1343 NE2 HIS A 84 3.437 -11.293 -10.861 1.00 43.25 N ATOM 0 H HIS A 84 5.272 -12.041 -4.738 1.00 75.43 H new ATOM 0 HA HIS A 84 3.158 -11.863 -6.739 1.00 14.35 H new ATOM 0 HB2 HIS A 84 5.115 -10.098 -7.127 1.00 35.01 H new ATOM 0 HB3 HIS A 84 6.012 -11.508 -7.654 1.00 35.01 H new ATOM 0 HD1 HIS A 84 4.478 -8.878 -9.173 1.00 51.42 H new ATOM 0 HD2 HIS A 84 3.865 -13.000 -9.554 1.00 1.42 H new ATOM 0 HE1 HIS A 84 3.381 -9.234 -11.435 1.00 31.22 H new ATOM 1352 N HIS A 85 3.737 -14.198 -7.361 1.00 2.31 N ATOM 1353 CA HIS A 85 4.020 -15.593 -7.674 1.00 11.35 C ATOM 1354 C HIS A 85 3.280 -16.013 -8.939 1.00 11.43 C ATOM 1355 O HIS A 85 2.061 -16.256 -8.872 1.00 24.44 O ATOM 1356 CB HIS A 85 3.675 -16.528 -6.497 1.00 74.10 C ATOM 1357 CG HIS A 85 2.356 -16.261 -5.826 1.00 21.42 C ATOM 1358 ND1 HIS A 85 1.137 -16.470 -6.430 1.00 41.44 N ATOM 1359 CD2 HIS A 85 2.079 -15.820 -4.578 1.00 1.24 C ATOM 1360 CE1 HIS A 85 0.169 -16.174 -5.584 1.00 60.35 C ATOM 1361 NE2 HIS A 85 0.713 -15.777 -4.449 1.00 60.51 N ATOM 0 H HIS A 85 2.820 -13.877 -7.671 1.00 2.31 H new ATOM 0 HA HIS A 85 5.092 -15.683 -7.850 1.00 11.35 H new ATOM 0 HB2 HIS A 85 3.678 -17.556 -6.859 1.00 74.10 H new ATOM 0 HB3 HIS A 85 4.465 -16.451 -5.750 1.00 74.10 H new ATOM 0 HD1 HIS A 85 1.003 -16.803 -7.385 1.00 41.44 H new ATOM 0 HD2 HIS A 85 2.801 -15.551 -3.821 1.00 1.24 H new ATOM 0 HE1 HIS A 85 -0.890 -16.245 -5.786 1.00 60.35 H new TER 1370 HIS A 85