USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 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 103 HIS : no HD1:sc= -0.512 K(o=-0.97,f=0.15) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.458 K(o=-0.97,f=-0.055) USER MOD Set 2.1: A 97 ASN : amide:sc= 0.148 K(o=0.96,f=-0.57) USER MOD Set 2.2: A 108 HIS : no HE2:sc= 0.809 K(o=0.96,f=-3.7!) USER MOD Set 3.1: A 18 THR OG1 : rot 143:sc= 1.32 USER MOD Set 3.2: A 38 HIS : no HD1:sc= 1.08 K(o=2.4,f=-6.5!) USER MOD Set 4.1: A 5 SER OG : rot 121:sc= 0.366 USER MOD Set 4.2: A 52 TYR OH : rot -107:sc= 0.208 USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0243 (180deg=-0.205) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.02 (180deg=0.799) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 7 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.17) USER MOD Single : A 9 HIS : no HD1:sc= -0.086 X(o=-0.086,f=-0.033) USER MOD Single : A 23 GLN : amide:sc= 0.939 K(o=0.94,f=-7.2!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 31 ASN : amide:sc= -2.49! K(o=-2.5!,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.0504 (180deg=-0.268) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -136:sc= 1.2 USER MOD Single : A 37 MET CE :methyl 178:sc= 0 (180deg=-0.00296) USER MOD Single : A 44 ASN : amide:sc= 0.147 X(o=0.15,f=-0.012) USER MOD Single : A 46 SER OG : rot -82:sc= 0.0601 USER MOD Single : A 47 SER OG : rot -88:sc= 1.3 USER MOD Single : A 53 LYS NZ :NH3+ -128:sc= 0.166 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.294 K(o=0.29,f=-1.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -81:sc= 2.23 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 76 GLN : amide:sc= -0.761 K(o=-0.76,f=-0.018) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -173:sc= -1.71! USER MOD Single : A 80 GLN : amide:sc= 0.0871 K(o=0.087,f=-1.8) USER MOD Single : A 82 GLN : amide:sc= -0.0642 X(o=-0.064,f=-0.52) USER MOD Single : A 83 ASN : amide:sc= 1.9 K(o=1.9,f=-7.6!) USER MOD Single : A 92 SER OG : rot -84:sc= 0.76 USER MOD Single : A 100 LYS NZ :NH3+ 153:sc= 0.991 (180deg=0.535) USER MOD Single : A 105 HIS : no HD1:sc= -0.0559 X(o=-0.056,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.551 -2.375 -2.046 1.00 0.00 N ATOM 2 CA MET A 1 -12.949 -3.724 -1.988 1.00 0.00 C ATOM 3 C MET A 1 -11.798 -3.829 -2.974 1.00 0.00 C ATOM 4 O MET A 1 -11.913 -3.398 -4.118 1.00 0.00 O ATOM 5 CB MET A 1 -14.003 -4.778 -2.321 1.00 0.00 C ATOM 6 CG MET A 1 -13.466 -6.202 -2.316 1.00 0.00 C ATOM 7 SD MET A 1 -14.635 -7.399 -2.988 1.00 0.00 S ATOM 8 CE MET A 1 -16.013 -7.220 -1.856 1.00 0.00 C ATOM 0 H1 MET A 1 -14.268 -2.282 -1.299 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.811 -1.658 -1.906 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.998 -2.234 -2.974 1.00 0.00 H new ATOM 0 HA MET A 1 -12.571 -3.895 -0.980 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.818 -4.704 -1.601 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.424 -4.561 -3.303 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.544 -6.239 -2.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.212 -6.485 -1.294 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.728 -8.026 -2.022 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.649 -7.264 -0.830 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.502 -6.261 -2.027 1.00 0.00 H new ATOM 20 N LEU A 2 -10.694 -4.403 -2.532 1.00 0.00 N ATOM 21 CA LEU A 2 -9.545 -4.589 -3.389 1.00 0.00 C ATOM 22 C LEU A 2 -9.518 -6.023 -3.901 1.00 0.00 C ATOM 23 O LEU A 2 -9.166 -6.953 -3.178 1.00 0.00 O ATOM 24 CB LEU A 2 -8.252 -4.258 -2.642 1.00 0.00 C ATOM 25 CG LEU A 2 -6.977 -4.302 -3.491 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.057 -3.306 -4.640 1.00 0.00 C ATOM 27 CD2 LEU A 2 -5.751 -4.020 -2.635 1.00 0.00 C ATOM 0 H LEU A 2 -10.572 -4.749 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.623 -3.909 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.346 -3.262 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.141 -4.957 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.886 -5.305 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.141 -3.355 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.909 -3.550 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.178 -2.299 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.857 -4.056 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.841 -3.031 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.676 -4.771 -1.848 1.00 0.00 H new ATOM 39 N VAL A 3 -9.950 -6.195 -5.134 1.00 0.00 N ATOM 40 CA VAL A 3 -9.962 -7.506 -5.766 1.00 0.00 C ATOM 41 C VAL A 3 -8.551 -7.914 -6.183 1.00 0.00 C ATOM 42 O VAL A 3 -7.917 -7.245 -6.996 1.00 0.00 O ATOM 43 CB VAL A 3 -10.886 -7.523 -7.003 1.00 0.00 C ATOM 44 CG1 VAL A 3 -10.946 -8.916 -7.622 1.00 0.00 C ATOM 45 CG2 VAL A 3 -12.285 -7.042 -6.636 1.00 0.00 C ATOM 0 H VAL A 3 -10.300 -5.440 -5.724 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.344 -8.218 -5.034 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.469 -6.840 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.603 -8.900 -8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.946 -9.221 -7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.332 -9.624 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.920 -7.062 -7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.706 -7.696 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.230 -6.024 -6.251 1.00 0.00 H new ATOM 55 N ILE A 4 -8.061 -9.001 -5.605 1.00 0.00 N ATOM 56 CA ILE A 4 -6.747 -9.529 -5.957 1.00 0.00 C ATOM 57 C ILE A 4 -6.908 -10.718 -6.892 1.00 0.00 C ATOM 58 O ILE A 4 -6.325 -10.765 -7.977 1.00 0.00 O ATOM 59 CB ILE A 4 -5.954 -9.966 -4.704 1.00 0.00 C ATOM 60 CG1 ILE A 4 -5.770 -8.786 -3.742 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.601 -10.552 -5.094 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.033 -7.608 -4.346 1.00 0.00 C ATOM 0 H ILE A 4 -8.553 -9.536 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.189 -8.734 -6.452 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.527 -10.741 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.750 -8.452 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.226 -9.129 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.062 -10.852 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.752 -11.421 -5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.021 -9.802 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.943 -6.815 -3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.039 -7.924 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.586 -7.236 -5.209 1.00 0.00 H new ATOM 74 N SER A 5 -7.715 -11.668 -6.458 1.00 0.00 N ATOM 75 CA SER A 5 -8.049 -12.829 -7.259 1.00 0.00 C ATOM 76 C SER A 5 -9.565 -12.915 -7.382 1.00 0.00 C ATOM 77 O SER A 5 -10.275 -12.073 -6.836 1.00 0.00 O ATOM 78 CB SER A 5 -7.477 -14.097 -6.617 1.00 0.00 C ATOM 79 OG SER A 5 -6.073 -13.992 -6.436 1.00 0.00 O ATOM 0 H SER A 5 -8.157 -11.656 -5.539 1.00 0.00 H new ATOM 0 HA SER A 5 -7.612 -12.736 -8.253 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.959 -14.269 -5.654 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.702 -14.959 -7.245 1.00 0.00 H new ATOM 0 HG SER A 5 -5.857 -14.091 -5.485 1.00 0.00 H new ATOM 85 N ASN A 6 -10.070 -13.914 -8.082 1.00 0.00 N ATOM 86 CA ASN A 6 -11.512 -14.040 -8.256 1.00 0.00 C ATOM 87 C ASN A 6 -12.160 -14.520 -6.964 1.00 0.00 C ATOM 88 O ASN A 6 -13.253 -14.085 -6.601 1.00 0.00 O ATOM 89 CB ASN A 6 -11.852 -15.005 -9.391 1.00 0.00 C ATOM 90 CG ASN A 6 -13.331 -14.974 -9.742 1.00 0.00 C ATOM 91 OD1 ASN A 6 -13.966 -13.919 -9.703 1.00 0.00 O ATOM 92 ND2 ASN A 6 -13.893 -16.128 -10.060 1.00 0.00 N ATOM 0 H ASN A 6 -9.516 -14.641 -8.534 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.902 -13.055 -8.513 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -11.265 -14.749 -10.273 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -11.569 -16.017 -9.103 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -14.887 -16.166 -10.284 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.332 -16.980 -10.081 1.00 0.00 H new ATOM 99 N ASN A 7 -11.466 -15.404 -6.257 1.00 0.00 N ATOM 100 CA ASN A 7 -11.976 -15.957 -5.006 1.00 0.00 C ATOM 101 C ASN A 7 -11.295 -15.290 -3.811 1.00 0.00 C ATOM 102 O ASN A 7 -11.539 -15.637 -2.659 1.00 0.00 O ATOM 103 CB ASN A 7 -11.763 -17.476 -4.983 1.00 0.00 C ATOM 104 CG ASN A 7 -12.476 -18.164 -3.829 1.00 0.00 C ATOM 105 OD1 ASN A 7 -13.667 -18.462 -3.908 1.00 0.00 O ATOM 106 ND2 ASN A 7 -11.742 -18.454 -2.765 1.00 0.00 N ATOM 0 H ASN A 7 -10.547 -15.754 -6.528 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.045 -15.757 -4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -12.115 -17.900 -5.923 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.695 -17.686 -4.919 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.162 -18.941 -1.973 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -10.757 -18.190 -2.737 1.00 0.00 H new ATOM 113 N VAL A 8 -10.464 -14.299 -4.092 1.00 0.00 N ATOM 114 CA VAL A 8 -9.752 -13.585 -3.044 1.00 0.00 C ATOM 115 C VAL A 8 -10.040 -12.096 -3.151 1.00 0.00 C ATOM 116 O VAL A 8 -9.710 -11.452 -4.147 1.00 0.00 O ATOM 117 CB VAL A 8 -8.225 -13.818 -3.121 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.498 -13.042 -2.030 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.899 -15.303 -3.025 1.00 0.00 C ATOM 0 H VAL A 8 -10.266 -13.971 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.103 -13.970 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.880 -13.451 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.426 -13.224 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.695 -11.977 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.852 -13.370 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.819 -15.443 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.267 -15.696 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.377 -15.834 -3.848 1.00 0.00 H new ATOM 129 N HIS A 9 -10.644 -11.557 -2.113 1.00 0.00 N ATOM 130 CA HIS A 9 -11.030 -10.155 -2.093 1.00 0.00 C ATOM 131 C HIS A 9 -10.539 -9.506 -0.812 1.00 0.00 C ATOM 132 O HIS A 9 -10.569 -10.125 0.248 1.00 0.00 O ATOM 133 CB HIS A 9 -12.554 -10.008 -2.177 1.00 0.00 C ATOM 134 CG HIS A 9 -13.182 -10.695 -3.353 1.00 0.00 C ATOM 135 ND1 HIS A 9 -14.017 -11.783 -3.225 1.00 0.00 N ATOM 136 CD2 HIS A 9 -13.105 -10.436 -4.682 1.00 0.00 C ATOM 137 CE1 HIS A 9 -14.425 -12.165 -4.420 1.00 0.00 C ATOM 138 NE2 HIS A 9 -13.886 -11.365 -5.319 1.00 0.00 N ATOM 0 H HIS A 9 -10.881 -12.070 -1.264 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.579 -9.665 -2.956 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.995 -10.404 -1.263 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.802 -8.947 -2.217 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.536 -9.647 -5.150 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.088 -12.992 -4.627 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.028 -11.427 -6.327 1.00 0.00 H new ATOM 147 N LEU A 10 -10.076 -8.271 -0.910 1.00 0.00 N ATOM 148 CA LEU A 10 -9.640 -7.532 0.262 1.00 0.00 C ATOM 149 C LEU A 10 -10.689 -6.504 0.661 1.00 0.00 C ATOM 150 O LEU A 10 -10.905 -5.514 -0.043 1.00 0.00 O ATOM 151 CB LEU A 10 -8.301 -6.845 -0.005 1.00 0.00 C ATOM 152 CG LEU A 10 -7.123 -7.793 -0.207 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.863 -7.015 -0.550 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.906 -8.637 1.039 1.00 0.00 C ATOM 0 H LEU A 10 -9.993 -7.760 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.510 -8.236 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.401 -6.218 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.076 -6.182 0.830 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.352 -8.457 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.034 -7.709 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.023 -6.450 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.627 -6.328 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.062 -9.309 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.697 -7.986 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.803 -9.222 1.243 1.00 0.00 H new ATOM 166 N PRO A 11 -11.388 -6.758 1.775 1.00 0.00 N ATOM 167 CA PRO A 11 -12.370 -5.826 2.326 1.00 0.00 C ATOM 168 C PRO A 11 -11.743 -4.479 2.663 1.00 0.00 C ATOM 169 O PRO A 11 -10.616 -4.413 3.156 1.00 0.00 O ATOM 170 CB PRO A 11 -12.860 -6.525 3.598 1.00 0.00 C ATOM 171 CG PRO A 11 -12.546 -7.965 3.391 1.00 0.00 C ATOM 172 CD PRO A 11 -11.283 -7.984 2.582 1.00 0.00 C ATOM 0 HA PRO A 11 -13.170 -5.606 1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.356 -6.134 4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.929 -6.371 3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.411 -8.479 4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.356 -8.473 2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.397 -7.975 3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.218 -8.874 1.957 1.00 0.00 H new ATOM 180 N ASP A 12 -12.487 -3.415 2.403 1.00 0.00 N ATOM 181 CA ASP A 12 -12.012 -2.056 2.609 1.00 0.00 C ATOM 182 C ASP A 12 -11.612 -1.819 4.053 1.00 0.00 C ATOM 183 O ASP A 12 -10.669 -1.083 4.335 1.00 0.00 O ATOM 184 CB ASP A 12 -13.105 -1.070 2.219 1.00 0.00 C ATOM 185 CG ASP A 12 -13.428 -1.119 0.741 1.00 0.00 C ATOM 186 OD1 ASP A 12 -12.677 -0.536 -0.065 1.00 0.00 O ATOM 187 OD2 ASP A 12 -14.428 -1.775 0.374 1.00 0.00 O ATOM 0 H ASP A 12 -13.440 -3.470 2.042 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.131 -1.908 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.007 -1.286 2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.792 -0.061 2.486 1.00 0.00 H new ATOM 192 N ALA A 13 -12.340 -2.448 4.962 1.00 0.00 N ATOM 193 CA ALA A 13 -12.082 -2.324 6.391 1.00 0.00 C ATOM 194 C ALA A 13 -10.683 -2.806 6.768 1.00 0.00 C ATOM 195 O ALA A 13 -10.114 -2.355 7.764 1.00 0.00 O ATOM 196 CB ALA A 13 -13.128 -3.094 7.184 1.00 0.00 C ATOM 0 H ALA A 13 -13.125 -3.058 4.733 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.143 -1.264 6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.924 -2.993 8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.118 -2.694 6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.093 -4.147 6.906 1.00 0.00 H new ATOM 202 N GLU A 14 -10.126 -3.717 5.974 1.00 0.00 N ATOM 203 CA GLU A 14 -8.814 -4.281 6.271 1.00 0.00 C ATOM 204 C GLU A 14 -7.712 -3.454 5.621 1.00 0.00 C ATOM 205 O GLU A 14 -6.531 -3.793 5.698 1.00 0.00 O ATOM 206 CB GLU A 14 -8.737 -5.740 5.805 1.00 0.00 C ATOM 207 CG GLU A 14 -9.851 -6.613 6.362 1.00 0.00 C ATOM 208 CD GLU A 14 -9.560 -8.095 6.246 1.00 0.00 C ATOM 209 OE1 GLU A 14 -9.846 -8.690 5.186 1.00 0.00 O ATOM 210 OE2 GLU A 14 -9.060 -8.680 7.226 1.00 0.00 O ATOM 0 H GLU A 14 -10.561 -4.078 5.125 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.668 -4.256 7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.774 -5.768 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.775 -6.158 6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.012 -6.361 7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.778 -6.389 5.835 1.00 0.00 H new ATOM 217 N ILE A 15 -8.107 -2.360 4.993 1.00 0.00 N ATOM 218 CA ILE A 15 -7.167 -1.463 4.345 1.00 0.00 C ATOM 219 C ILE A 15 -7.225 -0.086 5.002 1.00 0.00 C ATOM 220 O ILE A 15 -8.246 0.605 4.941 1.00 0.00 O ATOM 221 CB ILE A 15 -7.462 -1.321 2.836 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.673 -2.699 2.197 1.00 0.00 C ATOM 223 CG2 ILE A 15 -6.319 -0.591 2.143 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.070 -2.643 0.736 1.00 0.00 C ATOM 0 H ILE A 15 -9.082 -2.070 4.918 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.171 -1.890 4.459 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.376 -0.740 2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.754 -3.277 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.444 -3.232 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.539 -0.497 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.204 0.401 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.395 -1.154 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.201 -3.656 0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.006 -2.093 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.289 -2.139 0.166 1.00 0.00 H new ATOM 236 N GLU A 16 -6.132 0.311 5.637 1.00 0.00 N ATOM 237 CA GLU A 16 -6.082 1.570 6.358 1.00 0.00 C ATOM 238 C GLU A 16 -5.544 2.686 5.463 1.00 0.00 C ATOM 239 O GLU A 16 -4.336 2.809 5.258 1.00 0.00 O ATOM 240 CB GLU A 16 -5.214 1.414 7.609 1.00 0.00 C ATOM 241 CG GLU A 16 -5.094 2.668 8.456 1.00 0.00 C ATOM 242 CD GLU A 16 -4.213 2.461 9.674 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.903 1.294 10.004 1.00 0.00 O ATOM 244 OE2 GLU A 16 -3.833 3.468 10.312 1.00 0.00 O ATOM 0 H GLU A 16 -5.265 -0.225 5.666 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.093 1.843 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.627 0.614 8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.215 1.100 7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.686 3.476 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.087 2.982 8.778 1.00 0.00 H new ATOM 251 N LEU A 17 -6.451 3.476 4.900 1.00 0.00 N ATOM 252 CA LEU A 17 -6.063 4.621 4.094 1.00 0.00 C ATOM 253 C LEU A 17 -6.072 5.881 4.944 1.00 0.00 C ATOM 254 O LEU A 17 -7.110 6.275 5.477 1.00 0.00 O ATOM 255 CB LEU A 17 -6.991 4.807 2.886 1.00 0.00 C ATOM 256 CG LEU A 17 -6.983 3.676 1.852 1.00 0.00 C ATOM 257 CD1 LEU A 17 -7.912 2.550 2.271 1.00 0.00 C ATOM 258 CD2 LEU A 17 -7.367 4.207 0.481 1.00 0.00 C ATOM 0 H LEU A 17 -7.458 3.343 4.988 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.056 4.435 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.010 4.931 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.718 5.735 2.383 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.972 3.274 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.888 1.760 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.587 2.148 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.929 2.932 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.356 3.391 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.367 4.639 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.654 4.972 0.174 1.00 0.00 H new ATOM 270 N THR A 18 -4.917 6.507 5.072 1.00 0.00 N ATOM 271 CA THR A 18 -4.783 7.702 5.883 1.00 0.00 C ATOM 272 C THR A 18 -4.352 8.895 5.038 1.00 0.00 C ATOM 273 O THR A 18 -3.863 8.733 3.922 1.00 0.00 O ATOM 274 CB THR A 18 -3.763 7.478 7.012 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.062 6.242 6.796 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.451 7.450 8.366 1.00 0.00 C ATOM 0 H THR A 18 -4.053 6.205 4.621 1.00 0.00 H new ATOM 0 HA THR A 18 -5.760 7.916 6.317 1.00 0.00 H new ATOM 0 HB THR A 18 -3.053 8.305 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.125 6.346 7.063 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.709 7.290 9.148 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.959 8.400 8.536 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.180 6.640 8.387 1.00 0.00 H new ATOM 284 N ALA A 19 -4.544 10.089 5.574 1.00 0.00 N ATOM 285 CA ALA A 19 -4.151 11.315 4.904 1.00 0.00 C ATOM 286 C ALA A 19 -3.319 12.165 5.850 1.00 0.00 C ATOM 287 O ALA A 19 -3.712 12.389 6.993 1.00 0.00 O ATOM 288 CB ALA A 19 -5.382 12.079 4.436 1.00 0.00 C ATOM 0 H ALA A 19 -4.977 10.234 6.486 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.551 11.071 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.072 12.996 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.952 11.461 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.005 12.327 5.295 1.00 0.00 H new ATOM 294 N ILE A 20 -2.170 12.622 5.383 1.00 0.00 N ATOM 295 CA ILE A 20 -1.265 13.389 6.220 1.00 0.00 C ATOM 296 C ILE A 20 -1.539 14.881 6.081 1.00 0.00 C ATOM 297 O ILE A 20 -1.446 15.450 4.991 1.00 0.00 O ATOM 298 CB ILE A 20 0.213 13.095 5.874 1.00 0.00 C ATOM 299 CG1 ILE A 20 0.488 11.589 5.962 1.00 0.00 C ATOM 300 CG2 ILE A 20 1.140 13.865 6.806 1.00 0.00 C ATOM 301 CD1 ILE A 20 1.898 11.200 5.571 1.00 0.00 C ATOM 0 H ILE A 20 -1.842 12.475 4.428 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.442 13.087 7.252 1.00 0.00 H new ATOM 0 HB ILE A 20 0.405 13.423 4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.298 11.254 6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.216 11.063 5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.177 13.647 6.549 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.957 14.934 6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.951 13.565 7.837 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.015 10.120 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.087 11.503 4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.609 11.697 6.231 1.00 0.00 H new ATOM 313 N ARG A 21 -1.914 15.497 7.189 1.00 0.00 N ATOM 314 CA ARG A 21 -2.120 16.932 7.241 1.00 0.00 C ATOM 315 C ARG A 21 -0.848 17.604 7.733 1.00 0.00 C ATOM 316 O ARG A 21 0.027 16.947 8.295 1.00 0.00 O ATOM 317 CB ARG A 21 -3.286 17.288 8.176 1.00 0.00 C ATOM 318 CG ARG A 21 -4.674 17.138 7.561 1.00 0.00 C ATOM 319 CD ARG A 21 -4.960 15.719 7.090 1.00 0.00 C ATOM 320 NE ARG A 21 -6.397 15.464 6.981 1.00 0.00 N ATOM 321 CZ ARG A 21 -7.066 15.335 5.834 1.00 0.00 C ATOM 322 NH1 ARG A 21 -6.449 15.496 4.667 1.00 0.00 N ATOM 323 NH2 ARG A 21 -8.362 15.054 5.859 1.00 0.00 N ATOM 0 H ARG A 21 -2.083 15.018 8.074 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.366 17.285 6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.227 16.656 9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.163 18.318 8.510 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.425 17.431 8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.769 17.822 6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.487 15.555 6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.516 15.008 7.787 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.927 15.378 7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.454 15.720 4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.970 15.395 3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.842 14.938 6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.879 14.954 4.986 1.00 0.00 H new ATOM 337 N ALA A 22 -0.740 18.905 7.518 1.00 0.00 N ATOM 338 CA ALA A 22 0.405 19.654 8.006 1.00 0.00 C ATOM 339 C ALA A 22 0.274 19.868 9.509 1.00 0.00 C ATOM 340 O ALA A 22 -0.436 20.773 9.953 1.00 0.00 O ATOM 341 CB ALA A 22 0.526 20.984 7.276 1.00 0.00 C ATOM 0 H ALA A 22 -1.428 19.462 7.011 1.00 0.00 H new ATOM 0 HA ALA A 22 1.313 19.084 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.389 21.530 7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.652 20.803 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.377 21.573 7.440 1.00 0.00 H new ATOM 347 N GLN A 23 0.925 19.010 10.283 1.00 0.00 N ATOM 348 CA GLN A 23 0.841 19.065 11.729 1.00 0.00 C ATOM 349 C GLN A 23 1.305 20.415 12.248 1.00 0.00 C ATOM 350 O GLN A 23 2.316 20.959 11.793 1.00 0.00 O ATOM 351 CB GLN A 23 1.647 17.932 12.381 1.00 0.00 C ATOM 352 CG GLN A 23 3.155 17.967 12.120 1.00 0.00 C ATOM 353 CD GLN A 23 3.574 17.300 10.815 1.00 0.00 C ATOM 354 OE1 GLN A 23 2.836 17.287 9.834 1.00 0.00 O ATOM 355 NE2 GLN A 23 4.769 16.732 10.802 1.00 0.00 N ATOM 0 H GLN A 23 1.521 18.263 9.926 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.206 18.932 12.002 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.481 17.963 13.458 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.256 16.979 12.025 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.487 19.005 12.109 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.668 17.477 12.948 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.357 16.761 11.635 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.102 16.265 9.959 1.00 0.00 H new ATOM 364 N GLY A 24 0.547 20.956 13.183 1.00 0.00 N ATOM 365 CA GLY A 24 0.844 22.267 13.723 1.00 0.00 C ATOM 366 C GLY A 24 0.008 23.341 13.067 1.00 0.00 C ATOM 367 O GLY A 24 0.078 24.512 13.436 1.00 0.00 O ATOM 0 H GLY A 24 -0.277 20.508 13.583 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.661 22.268 14.798 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.901 22.489 13.579 1.00 0.00 H new ATOM 371 N ALA A 25 -0.790 22.932 12.094 1.00 0.00 N ATOM 372 CA ALA A 25 -1.644 23.850 11.363 1.00 0.00 C ATOM 373 C ALA A 25 -2.974 23.189 11.024 1.00 0.00 C ATOM 374 O ALA A 25 -3.137 21.979 11.205 1.00 0.00 O ATOM 375 CB ALA A 25 -0.946 24.320 10.097 1.00 0.00 C ATOM 0 H ALA A 25 -0.863 21.961 11.791 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.844 24.716 11.994 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.596 25.008 9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.018 24.828 10.360 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.722 23.461 9.465 1.00 0.00 H new ATOM 381 N GLY A 26 -3.920 23.977 10.535 1.00 0.00 N ATOM 382 CA GLY A 26 -5.210 23.433 10.153 1.00 0.00 C ATOM 383 C GLY A 26 -6.336 23.954 11.022 1.00 0.00 C ATOM 384 O GLY A 26 -7.509 23.844 10.664 1.00 0.00 O ATOM 0 H GLY A 26 -3.819 24.982 10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.413 23.683 9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.177 22.346 10.219 1.00 0.00 H new ATOM 388 N GLY A 27 -5.978 24.518 12.163 1.00 0.00 N ATOM 389 CA GLY A 27 -6.963 25.092 13.055 1.00 0.00 C ATOM 390 C GLY A 27 -6.646 26.538 13.343 1.00 0.00 C ATOM 391 O GLY A 27 -6.197 26.873 14.441 1.00 0.00 O ATOM 0 H GLY A 27 -5.015 24.589 12.490 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.954 25.014 12.608 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.989 24.528 13.987 1.00 0.00 H new ATOM 395 N GLN A 28 -6.888 27.385 12.344 1.00 0.00 N ATOM 396 CA GLN A 28 -6.490 28.792 12.361 1.00 0.00 C ATOM 397 C GLN A 28 -4.970 28.912 12.259 1.00 0.00 C ATOM 398 O GLN A 28 -4.232 28.212 12.959 1.00 0.00 O ATOM 399 CB GLN A 28 -7.017 29.515 13.607 1.00 0.00 C ATOM 400 CG GLN A 28 -6.668 30.996 13.645 1.00 0.00 C ATOM 401 CD GLN A 28 -7.233 31.696 14.861 1.00 0.00 C ATOM 402 OE1 GLN A 28 -6.597 31.746 15.912 1.00 0.00 O ATOM 403 NE2 GLN A 28 -8.427 32.253 14.728 1.00 0.00 N ATOM 0 H GLN A 28 -7.372 27.110 11.489 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.937 29.279 11.494 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.101 29.404 13.650 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.612 29.032 14.496 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.584 31.110 13.636 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.047 31.478 12.744 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.923 32.190 13.839 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.850 32.745 15.514 1.00 0.00 H new ATOM 412 N ASN A 29 -4.526 29.802 11.371 1.00 0.00 N ATOM 413 CA ASN A 29 -3.109 29.989 11.050 1.00 0.00 C ATOM 414 C ASN A 29 -2.602 28.839 10.187 1.00 0.00 C ATOM 415 O ASN A 29 -2.795 27.669 10.521 1.00 0.00 O ATOM 416 CB ASN A 29 -2.241 30.134 12.307 1.00 0.00 C ATOM 417 CG ASN A 29 -2.577 31.368 13.125 1.00 0.00 C ATOM 418 OD1 ASN A 29 -3.026 32.384 12.592 1.00 0.00 O ATOM 419 ND2 ASN A 29 -2.353 31.293 14.428 1.00 0.00 N ATOM 0 H ASN A 29 -5.146 30.421 10.848 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.027 30.921 10.491 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.364 29.248 12.930 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.192 30.175 12.014 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.553 32.094 15.027 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.980 30.434 14.833 1.00 0.00 H new ATOM 426 N VAL A 30 -1.951 29.192 9.078 1.00 0.00 N ATOM 427 CA VAL A 30 -1.468 28.223 8.091 1.00 0.00 C ATOM 428 C VAL A 30 -2.591 27.292 7.647 1.00 0.00 C ATOM 429 O VAL A 30 -2.788 26.212 8.207 1.00 0.00 O ATOM 430 CB VAL A 30 -0.306 27.364 8.619 1.00 0.00 C ATOM 431 CG1 VAL A 30 0.380 26.628 7.474 1.00 0.00 C ATOM 432 CG2 VAL A 30 0.692 28.199 9.403 1.00 0.00 C ATOM 0 H VAL A 30 -1.743 30.161 8.837 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.107 28.812 7.248 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.722 26.624 9.303 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.199 26.026 7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.340 25.979 6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.772 27.352 6.760 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.499 27.560 9.761 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.103 28.976 8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.191 28.661 10.253 1.00 0.00 H new ATOM 442 N ASN A 31 -3.344 27.714 6.654 1.00 0.00 N ATOM 443 CA ASN A 31 -4.459 26.916 6.164 1.00 0.00 C ATOM 444 C ASN A 31 -4.212 26.444 4.747 1.00 0.00 C ATOM 445 O ASN A 31 -4.732 27.005 3.783 1.00 0.00 O ATOM 446 CB ASN A 31 -5.766 27.705 6.218 1.00 0.00 C ATOM 447 CG ASN A 31 -6.429 27.681 7.585 1.00 0.00 C ATOM 448 OD1 ASN A 31 -7.652 27.780 7.687 1.00 0.00 O ATOM 449 ND2 ASN A 31 -5.643 27.544 8.643 1.00 0.00 N ATOM 0 H ASN A 31 -3.209 28.601 6.168 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.544 26.046 6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.569 28.739 5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.458 27.299 5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.048 27.518 9.579 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.633 27.465 8.521 1.00 0.00 H new ATOM 456 N LYS A 32 -3.424 25.393 4.656 1.00 0.00 N ATOM 457 CA LYS A 32 -3.155 24.696 3.413 1.00 0.00 C ATOM 458 C LYS A 32 -2.727 23.277 3.730 1.00 0.00 C ATOM 459 O LYS A 32 -1.750 23.056 4.448 1.00 0.00 O ATOM 460 CB LYS A 32 -2.064 25.397 2.606 1.00 0.00 C ATOM 461 CG LYS A 32 -2.558 26.595 1.813 1.00 0.00 C ATOM 462 CD LYS A 32 -1.415 27.365 1.180 1.00 0.00 C ATOM 463 CE LYS A 32 -1.929 28.521 0.335 1.00 0.00 C ATOM 464 NZ LYS A 32 -2.807 29.439 1.111 1.00 0.00 N ATOM 0 H LYS A 32 -2.942 24.990 5.460 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.063 24.692 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.276 25.723 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.616 24.679 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.243 26.258 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.122 27.257 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.755 27.746 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.821 26.694 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.083 29.081 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.482 28.127 -0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.968 30.309 0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.718 28.973 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.349 29.676 2.014 1.00 0.00 H new ATOM 478 N VAL A 33 -3.464 22.324 3.199 1.00 0.00 N ATOM 479 CA VAL A 33 -3.243 20.921 3.516 1.00 0.00 C ATOM 480 C VAL A 33 -2.164 20.325 2.612 1.00 0.00 C ATOM 481 O VAL A 33 -2.051 20.684 1.441 1.00 0.00 O ATOM 482 CB VAL A 33 -4.557 20.106 3.398 1.00 0.00 C ATOM 483 CG1 VAL A 33 -5.094 20.139 1.975 1.00 0.00 C ATOM 484 CG2 VAL A 33 -4.358 18.673 3.872 1.00 0.00 C ATOM 0 H VAL A 33 -4.226 22.493 2.542 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.901 20.864 4.549 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.298 20.573 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.016 19.560 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.296 21.170 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.356 19.710 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.296 18.125 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.593 18.191 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.042 18.675 4.915 1.00 0.00 H new ATOM 494 N SER A 34 -1.352 19.441 3.176 1.00 0.00 N ATOM 495 CA SER A 34 -0.310 18.775 2.431 1.00 0.00 C ATOM 496 C SER A 34 -0.903 17.674 1.553 1.00 0.00 C ATOM 497 O SER A 34 -1.908 17.058 1.906 1.00 0.00 O ATOM 498 CB SER A 34 0.703 18.193 3.412 1.00 0.00 C ATOM 499 OG SER A 34 1.240 19.209 4.247 1.00 0.00 O ATOM 0 H SER A 34 -1.402 19.171 4.158 1.00 0.00 H new ATOM 0 HA SER A 34 0.188 19.491 1.778 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.225 17.428 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.508 17.704 2.863 1.00 0.00 H new ATOM 0 HG SER A 34 1.886 18.814 4.869 1.00 0.00 H new ATOM 505 N SER A 35 -0.270 17.429 0.417 1.00 0.00 N ATOM 506 CA SER A 35 -0.747 16.435 -0.534 1.00 0.00 C ATOM 507 C SER A 35 -0.261 15.032 -0.163 1.00 0.00 C ATOM 508 O SER A 35 -0.381 14.093 -0.950 1.00 0.00 O ATOM 509 CB SER A 35 -0.252 16.803 -1.929 1.00 0.00 C ATOM 510 OG SER A 35 -0.455 18.180 -2.189 1.00 0.00 O ATOM 0 H SER A 35 0.583 17.909 0.129 1.00 0.00 H new ATOM 0 HA SER A 35 -1.837 16.427 -0.513 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.808 16.564 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.777 16.206 -2.675 1.00 0.00 H new ATOM 0 HG SER A 35 -0.809 18.293 -3.096 1.00 0.00 H new ATOM 516 N ALA A 36 0.275 14.893 1.039 1.00 0.00 N ATOM 517 CA ALA A 36 0.839 13.631 1.484 1.00 0.00 C ATOM 518 C ALA A 36 -0.253 12.674 1.938 1.00 0.00 C ATOM 519 O ALA A 36 -0.946 12.917 2.923 1.00 0.00 O ATOM 520 CB ALA A 36 1.838 13.868 2.605 1.00 0.00 C ATOM 0 H ALA A 36 0.331 15.644 1.727 1.00 0.00 H new ATOM 0 HA ALA A 36 1.358 13.174 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.254 12.914 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.642 14.511 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.336 14.349 3.444 1.00 0.00 H new ATOM 526 N MET A 37 -0.419 11.603 1.194 1.00 0.00 N ATOM 527 CA MET A 37 -1.349 10.549 1.557 1.00 0.00 C ATOM 528 C MET A 37 -0.575 9.431 2.237 1.00 0.00 C ATOM 529 O MET A 37 0.651 9.366 2.132 1.00 0.00 O ATOM 530 CB MET A 37 -2.058 10.016 0.309 1.00 0.00 C ATOM 531 CG MET A 37 -3.340 9.248 0.589 1.00 0.00 C ATOM 532 SD MET A 37 -4.665 10.304 1.213 1.00 0.00 S ATOM 533 CE MET A 37 -5.977 9.105 1.438 1.00 0.00 C ATOM 0 H MET A 37 0.084 11.435 0.322 1.00 0.00 H new ATOM 0 HA MET A 37 -2.105 10.942 2.237 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.288 10.855 -0.348 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.371 9.366 -0.233 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.672 8.758 -0.326 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.136 8.461 1.315 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.855 9.600 1.854 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.233 8.661 0.476 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.643 8.324 2.121 1.00 0.00 H new ATOM 543 N HIS A 38 -1.276 8.558 2.925 1.00 0.00 N ATOM 544 CA HIS A 38 -0.631 7.500 3.692 1.00 0.00 C ATOM 545 C HIS A 38 -1.375 6.189 3.522 1.00 0.00 C ATOM 546 O HIS A 38 -2.602 6.136 3.592 1.00 0.00 O ATOM 547 CB HIS A 38 -0.575 7.899 5.170 1.00 0.00 C ATOM 548 CG HIS A 38 0.240 6.988 6.036 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.312 6.083 6.913 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.580 6.876 6.180 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.652 5.457 7.560 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.813 5.919 7.135 1.00 0.00 N ATOM 0 H HIS A 38 -2.295 8.554 2.973 1.00 0.00 H new ATOM 0 HA HIS A 38 0.385 7.361 3.322 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.169 8.908 5.244 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.592 7.935 5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.329 7.437 5.642 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.514 4.694 8.312 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.730 5.615 7.462 1.00 0.00 H new ATOM 561 N LEU A 39 -0.622 5.135 3.296 1.00 0.00 N ATOM 562 CA LEU A 39 -1.198 3.820 3.087 1.00 0.00 C ATOM 563 C LEU A 39 -0.680 2.858 4.140 1.00 0.00 C ATOM 564 O LEU A 39 0.528 2.785 4.380 1.00 0.00 O ATOM 565 CB LEU A 39 -0.856 3.297 1.690 1.00 0.00 C ATOM 566 CG LEU A 39 -1.446 1.926 1.343 1.00 0.00 C ATOM 567 CD1 LEU A 39 -2.966 1.986 1.309 1.00 0.00 C ATOM 568 CD2 LEU A 39 -0.901 1.431 0.011 1.00 0.00 C ATOM 0 H LEU A 39 0.397 5.161 3.252 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.282 3.898 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.204 4.021 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.229 3.242 1.596 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.150 1.221 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.364 1.002 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.340 2.293 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.285 2.707 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.331 0.456 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.165 2.138 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.184 1.344 0.072 1.00 0.00 H new ATOM 580 N ARG A 40 -1.590 2.148 4.782 1.00 0.00 N ATOM 581 CA ARG A 40 -1.212 1.148 5.758 1.00 0.00 C ATOM 582 C ARG A 40 -2.098 -0.086 5.616 1.00 0.00 C ATOM 583 O ARG A 40 -3.286 -0.053 5.913 1.00 0.00 O ATOM 584 CB ARG A 40 -1.307 1.730 7.168 1.00 0.00 C ATOM 585 CG ARG A 40 -0.647 0.864 8.218 1.00 0.00 C ATOM 586 CD ARG A 40 -0.735 1.488 9.598 1.00 0.00 C ATOM 587 NE ARG A 40 -0.088 0.646 10.597 1.00 0.00 N ATOM 588 CZ ARG A 40 -0.666 -0.421 11.151 1.00 0.00 C ATOM 589 NH1 ARG A 40 -1.925 -0.726 10.854 1.00 0.00 N ATOM 590 NH2 ARG A 40 0.011 -1.173 12.007 1.00 0.00 N ATOM 0 H ARG A 40 -2.596 2.247 4.644 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.179 0.848 5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.845 2.717 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.357 1.867 7.427 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.122 -0.117 8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.399 0.708 7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.264 2.471 9.587 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.781 1.638 9.867 1.00 0.00 H new ATOM 0 HE ARG A 40 0.859 0.886 10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.450 -0.144 10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.366 -1.542 11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.975 -0.936 12.243 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.432 -1.989 12.430 1.00 0.00 H new ATOM 604 N PHE A 41 -1.521 -1.171 5.133 1.00 0.00 N ATOM 605 CA PHE A 41 -2.275 -2.394 4.920 1.00 0.00 C ATOM 606 C PHE A 41 -1.758 -3.512 5.815 1.00 0.00 C ATOM 607 O PHE A 41 -0.624 -3.970 5.662 1.00 0.00 O ATOM 608 CB PHE A 41 -2.203 -2.814 3.449 1.00 0.00 C ATOM 609 CG PHE A 41 -2.950 -4.079 3.142 1.00 0.00 C ATOM 610 CD1 PHE A 41 -4.335 -4.087 3.084 1.00 0.00 C ATOM 611 CD2 PHE A 41 -2.268 -5.263 2.915 1.00 0.00 C ATOM 612 CE1 PHE A 41 -5.023 -5.251 2.806 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.952 -6.429 2.636 1.00 0.00 C ATOM 614 CZ PHE A 41 -4.330 -6.425 2.582 1.00 0.00 C ATOM 0 H PHE A 41 -0.534 -1.231 4.881 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.316 -2.203 5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.601 -2.009 2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.158 -2.943 3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.882 -3.172 3.258 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.189 -5.274 2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.102 -5.244 2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.408 -7.345 2.460 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.866 -7.337 2.365 1.00 0.00 H new ATOM 624 N ASP A 42 -2.588 -3.940 6.754 1.00 0.00 N ATOM 625 CA ASP A 42 -2.226 -5.027 7.655 1.00 0.00 C ATOM 626 C ASP A 42 -2.331 -6.371 6.953 1.00 0.00 C ATOM 627 O ASP A 42 -3.401 -6.972 6.909 1.00 0.00 O ATOM 628 CB ASP A 42 -3.120 -5.042 8.897 1.00 0.00 C ATOM 629 CG ASP A 42 -2.784 -3.957 9.898 1.00 0.00 C ATOM 630 OD1 ASP A 42 -1.907 -4.189 10.758 1.00 0.00 O ATOM 631 OD2 ASP A 42 -3.413 -2.886 9.850 1.00 0.00 O ATOM 0 H ASP A 42 -3.518 -3.552 6.913 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.194 -4.857 7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.159 -4.930 8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.035 -6.013 9.384 1.00 0.00 H new ATOM 636 N ILE A 43 -1.222 -6.839 6.401 1.00 0.00 N ATOM 637 CA ILE A 43 -1.162 -8.175 5.818 1.00 0.00 C ATOM 638 C ILE A 43 -1.420 -9.202 6.911 1.00 0.00 C ATOM 639 O ILE A 43 -2.008 -10.255 6.678 1.00 0.00 O ATOM 640 CB ILE A 43 0.221 -8.455 5.187 1.00 0.00 C ATOM 641 CG1 ILE A 43 0.631 -7.312 4.259 1.00 0.00 C ATOM 642 CG2 ILE A 43 0.203 -9.774 4.427 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.052 -7.428 3.755 1.00 0.00 C ATOM 0 H ILE A 43 -0.349 -6.314 6.343 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.917 -8.241 5.035 1.00 0.00 H new ATOM 0 HB ILE A 43 0.955 -8.527 5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.048 -7.285 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.517 -6.366 4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.185 -9.955 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.044 -10.585 5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.544 -9.727 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.276 -6.585 3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.739 -7.425 4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.166 -8.358 3.198 1.00 0.00 H new ATOM 655 N ASN A 44 -0.979 -8.856 8.112 1.00 0.00 N ATOM 656 CA ASN A 44 -1.159 -9.688 9.292 1.00 0.00 C ATOM 657 C ASN A 44 -2.633 -9.992 9.543 1.00 0.00 C ATOM 658 O ASN A 44 -3.026 -11.148 9.691 1.00 0.00 O ATOM 659 CB ASN A 44 -0.582 -8.963 10.508 1.00 0.00 C ATOM 660 CG ASN A 44 -0.438 -9.862 11.716 1.00 0.00 C ATOM 661 OD1 ASN A 44 -1.380 -10.044 12.492 1.00 0.00 O ATOM 662 ND2 ASN A 44 0.749 -10.414 11.895 1.00 0.00 N ATOM 0 H ASN A 44 -0.483 -7.984 8.296 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.641 -10.632 9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.393 -8.551 10.250 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.226 -8.121 10.762 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.914 -11.018 12.700 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.500 -10.236 11.228 1.00 0.00 H new ATOM 669 N ALA A 45 -3.445 -8.943 9.583 1.00 0.00 N ATOM 670 CA ALA A 45 -4.843 -9.070 9.983 1.00 0.00 C ATOM 671 C ALA A 45 -5.764 -9.387 8.807 1.00 0.00 C ATOM 672 O ALA A 45 -6.835 -9.963 8.997 1.00 0.00 O ATOM 673 CB ALA A 45 -5.297 -7.796 10.678 1.00 0.00 C ATOM 0 H ALA A 45 -3.160 -7.993 9.343 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.909 -9.912 10.672 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.341 -7.896 10.975 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.683 -7.625 11.562 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.193 -6.952 9.996 1.00 0.00 H new ATOM 679 N SER A 46 -5.348 -9.019 7.600 1.00 0.00 N ATOM 680 CA SER A 46 -6.198 -9.174 6.424 1.00 0.00 C ATOM 681 C SER A 46 -6.487 -10.641 6.110 1.00 0.00 C ATOM 682 O SER A 46 -5.817 -11.550 6.613 1.00 0.00 O ATOM 683 CB SER A 46 -5.566 -8.484 5.216 1.00 0.00 C ATOM 684 OG SER A 46 -4.202 -8.830 5.084 1.00 0.00 O ATOM 0 H SER A 46 -4.432 -8.613 7.410 1.00 0.00 H new ATOM 0 HA SER A 46 -7.152 -8.698 6.649 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.104 -8.765 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.661 -7.403 5.321 1.00 0.00 H new ATOM 0 HG SER A 46 -3.664 -8.277 5.689 1.00 0.00 H new ATOM 690 N SER A 47 -7.485 -10.852 5.264 1.00 0.00 N ATOM 691 CA SER A 47 -7.956 -12.187 4.919 1.00 0.00 C ATOM 692 C SER A 47 -7.121 -12.825 3.805 1.00 0.00 C ATOM 693 O SER A 47 -7.528 -13.825 3.206 1.00 0.00 O ATOM 694 CB SER A 47 -9.426 -12.102 4.510 1.00 0.00 C ATOM 695 OG SER A 47 -9.663 -10.949 3.715 1.00 0.00 O ATOM 0 H SER A 47 -7.993 -10.101 4.796 1.00 0.00 H new ATOM 0 HA SER A 47 -7.848 -12.828 5.794 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.705 -12.997 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.054 -12.071 5.400 1.00 0.00 H new ATOM 0 HG SER A 47 -9.865 -10.187 4.297 1.00 0.00 H new ATOM 701 N LEU A 48 -5.950 -12.251 3.540 1.00 0.00 N ATOM 702 CA LEU A 48 -5.044 -12.784 2.530 1.00 0.00 C ATOM 703 C LEU A 48 -4.645 -14.219 2.847 1.00 0.00 C ATOM 704 O LEU A 48 -4.302 -14.541 3.988 1.00 0.00 O ATOM 705 CB LEU A 48 -3.785 -11.920 2.424 1.00 0.00 C ATOM 706 CG LEU A 48 -3.940 -10.622 1.632 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.653 -9.817 1.686 1.00 0.00 C ATOM 708 CD2 LEU A 48 -4.314 -10.927 0.186 1.00 0.00 C ATOM 0 H LEU A 48 -5.607 -11.415 4.013 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.574 -12.770 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.450 -11.672 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.996 -12.514 1.963 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.739 -10.032 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.777 -8.895 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.418 -9.576 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.840 -10.402 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.421 -9.994 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.532 -11.532 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.257 -11.474 0.162 1.00 0.00 H new ATOM 720 N PRO A 49 -4.699 -15.101 1.839 1.00 0.00 N ATOM 721 CA PRO A 49 -4.255 -16.489 1.976 1.00 0.00 C ATOM 722 C PRO A 49 -2.785 -16.573 2.377 1.00 0.00 C ATOM 723 O PRO A 49 -1.989 -15.692 2.029 1.00 0.00 O ATOM 724 CB PRO A 49 -4.466 -17.080 0.579 1.00 0.00 C ATOM 725 CG PRO A 49 -5.464 -16.189 -0.071 1.00 0.00 C ATOM 726 CD PRO A 49 -5.221 -14.818 0.491 1.00 0.00 C ATOM 0 HA PRO A 49 -4.802 -17.021 2.755 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.533 -17.104 0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.831 -18.106 0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.344 -16.194 -1.154 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.480 -16.522 0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.505 -14.257 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.137 -14.229 0.528 1.00 0.00 H new ATOM 734 N PRO A 50 -2.406 -17.638 3.109 1.00 0.00 N ATOM 735 CA PRO A 50 -1.030 -17.838 3.590 1.00 0.00 C ATOM 736 C PRO A 50 0.012 -17.647 2.491 1.00 0.00 C ATOM 737 O PRO A 50 1.088 -17.103 2.731 1.00 0.00 O ATOM 738 CB PRO A 50 -1.036 -19.289 4.071 1.00 0.00 C ATOM 739 CG PRO A 50 -2.447 -19.552 4.468 1.00 0.00 C ATOM 740 CD PRO A 50 -3.302 -18.731 3.542 1.00 0.00 C ATOM 0 HA PRO A 50 -0.760 -17.115 4.360 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.714 -19.969 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.356 -19.430 4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.685 -20.612 4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.618 -19.271 5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.653 -19.320 2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.186 -18.346 4.050 1.00 0.00 H new ATOM 748 N PHE A 51 -0.333 -18.084 1.282 1.00 0.00 N ATOM 749 CA PHE A 51 0.554 -17.967 0.131 1.00 0.00 C ATOM 750 C PHE A 51 0.969 -16.517 -0.098 1.00 0.00 C ATOM 751 O PHE A 51 2.156 -16.202 -0.138 1.00 0.00 O ATOM 752 CB PHE A 51 -0.138 -18.512 -1.121 1.00 0.00 C ATOM 753 CG PHE A 51 0.683 -18.391 -2.375 1.00 0.00 C ATOM 754 CD1 PHE A 51 1.738 -19.255 -2.618 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.403 -17.405 -3.314 1.00 0.00 C ATOM 756 CE1 PHE A 51 2.494 -19.143 -3.769 1.00 0.00 C ATOM 757 CE2 PHE A 51 1.154 -17.289 -4.465 1.00 0.00 C ATOM 758 CZ PHE A 51 2.203 -18.158 -4.692 1.00 0.00 C ATOM 0 H PHE A 51 -1.229 -18.526 1.075 1.00 0.00 H new ATOM 0 HA PHE A 51 1.451 -18.552 0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.384 -19.562 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.080 -17.982 -1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.973 -20.026 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.414 -16.720 -3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.312 -19.825 -3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.922 -16.520 -5.187 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.795 -18.067 -5.591 1.00 0.00 H new ATOM 768 N TYR A 52 -0.017 -15.636 -0.231 1.00 0.00 N ATOM 769 CA TYR A 52 0.244 -14.231 -0.494 1.00 0.00 C ATOM 770 C TYR A 52 0.984 -13.583 0.671 1.00 0.00 C ATOM 771 O TYR A 52 1.884 -12.765 0.466 1.00 0.00 O ATOM 772 CB TYR A 52 -1.065 -13.496 -0.766 1.00 0.00 C ATOM 773 CG TYR A 52 -1.672 -13.800 -2.120 1.00 0.00 C ATOM 774 CD1 TYR A 52 -1.201 -13.173 -3.267 1.00 0.00 C ATOM 775 CD2 TYR A 52 -2.722 -14.701 -2.252 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.753 -13.441 -4.508 1.00 0.00 C ATOM 777 CE2 TYR A 52 -3.278 -14.974 -3.489 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.793 -14.339 -4.613 1.00 0.00 C ATOM 779 OH TYR A 52 -3.348 -14.603 -5.844 1.00 0.00 O ATOM 0 H TYR A 52 -1.006 -15.874 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 52 0.880 -14.162 -1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.784 -13.757 0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.890 -12.423 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.390 -12.464 -3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.110 -15.196 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.370 -12.949 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.089 -15.682 -3.574 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.231 -14.182 -5.902 1.00 0.00 H new ATOM 789 N LYS A 53 0.614 -13.963 1.891 1.00 0.00 N ATOM 790 CA LYS A 53 1.262 -13.438 3.089 1.00 0.00 C ATOM 791 C LYS A 53 2.754 -13.766 3.093 1.00 0.00 C ATOM 792 O LYS A 53 3.588 -12.901 3.360 1.00 0.00 O ATOM 793 CB LYS A 53 0.594 -13.988 4.356 1.00 0.00 C ATOM 794 CG LYS A 53 -0.793 -13.417 4.615 1.00 0.00 C ATOM 795 CD LYS A 53 -1.365 -13.896 5.942 1.00 0.00 C ATOM 796 CE LYS A 53 -2.660 -13.174 6.278 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.202 -13.582 7.600 1.00 0.00 N ATOM 0 H LYS A 53 -0.132 -14.633 2.076 1.00 0.00 H new ATOM 0 HA LYS A 53 1.149 -12.354 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.521 -15.073 4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.231 -13.774 5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.744 -12.328 4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.462 -13.707 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.546 -14.970 5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.637 -13.729 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.486 -12.098 6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.400 -13.379 5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.197 -13.865 7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.651 -14.383 7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.138 -12.783 8.263 1.00 0.00 H new ATOM 811 N GLU A 54 3.085 -15.013 2.775 1.00 0.00 N ATOM 812 CA GLU A 54 4.474 -15.455 2.748 1.00 0.00 C ATOM 813 C GLU A 54 5.256 -14.778 1.629 1.00 0.00 C ATOM 814 O GLU A 54 6.416 -14.413 1.813 1.00 0.00 O ATOM 815 CB GLU A 54 4.549 -16.970 2.591 1.00 0.00 C ATOM 816 CG GLU A 54 4.183 -17.727 3.856 1.00 0.00 C ATOM 817 CD GLU A 54 4.275 -19.224 3.680 1.00 0.00 C ATOM 818 OE1 GLU A 54 5.398 -19.736 3.483 1.00 0.00 O ATOM 819 OE2 GLU A 54 3.231 -19.899 3.747 1.00 0.00 O ATOM 0 H GLU A 54 2.408 -15.737 2.532 1.00 0.00 H new ATOM 0 HA GLU A 54 4.927 -15.170 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.881 -17.278 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.559 -17.247 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.845 -17.418 4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.169 -17.461 4.154 1.00 0.00 H new ATOM 826 N ARG A 55 4.624 -14.618 0.475 1.00 0.00 N ATOM 827 CA ARG A 55 5.268 -13.969 -0.666 1.00 0.00 C ATOM 828 C ARG A 55 5.664 -12.537 -0.327 1.00 0.00 C ATOM 829 O ARG A 55 6.752 -12.086 -0.679 1.00 0.00 O ATOM 830 CB ARG A 55 4.338 -13.974 -1.885 1.00 0.00 C ATOM 831 CG ARG A 55 3.992 -15.364 -2.393 1.00 0.00 C ATOM 832 CD ARG A 55 5.228 -16.128 -2.845 1.00 0.00 C ATOM 833 NE ARG A 55 5.878 -15.496 -3.992 1.00 0.00 N ATOM 834 CZ ARG A 55 6.520 -16.166 -4.949 1.00 0.00 C ATOM 835 NH1 ARG A 55 6.603 -17.490 -4.906 1.00 0.00 N ATOM 836 NH2 ARG A 55 7.074 -15.506 -5.955 1.00 0.00 N ATOM 0 H ARG A 55 3.668 -14.927 0.301 1.00 0.00 H new ATOM 0 HA ARG A 55 6.170 -14.533 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.416 -13.452 -1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.809 -13.411 -2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.488 -15.923 -1.605 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.292 -15.283 -3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.936 -16.193 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.947 -17.149 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 55 5.838 -14.479 -4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.173 -18.003 -4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.096 -17.994 -5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.008 -14.489 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.566 -16.015 -6.689 1.00 0.00 H new ATOM 850 N LEU A 56 4.774 -11.832 0.356 1.00 0.00 N ATOM 851 CA LEU A 56 5.020 -10.448 0.741 1.00 0.00 C ATOM 852 C LEU A 56 6.038 -10.357 1.874 1.00 0.00 C ATOM 853 O LEU A 56 6.974 -9.564 1.816 1.00 0.00 O ATOM 854 CB LEU A 56 3.707 -9.789 1.163 1.00 0.00 C ATOM 855 CG LEU A 56 2.671 -9.638 0.046 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.384 -9.031 0.583 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.231 -8.789 -1.089 1.00 0.00 C ATOM 0 H LEU A 56 3.870 -12.197 0.657 1.00 0.00 H new ATOM 0 HA LEU A 56 5.432 -9.924 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.267 -10.375 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.927 -8.802 1.570 1.00 0.00 H new ATOM 0 HG LEU A 56 2.442 -10.629 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.662 -8.933 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.973 -9.677 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.593 -8.047 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.482 -8.692 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.490 -7.800 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.122 -9.267 -1.495 1.00 0.00 H new ATOM 869 N LEU A 57 5.841 -11.173 2.900 1.00 0.00 N ATOM 870 CA LEU A 57 6.714 -11.172 4.071 1.00 0.00 C ATOM 871 C LEU A 57 8.155 -11.509 3.683 1.00 0.00 C ATOM 872 O LEU A 57 9.102 -10.896 4.177 1.00 0.00 O ATOM 873 CB LEU A 57 6.190 -12.183 5.099 1.00 0.00 C ATOM 874 CG LEU A 57 6.346 -11.772 6.566 1.00 0.00 C ATOM 875 CD1 LEU A 57 5.561 -12.717 7.464 1.00 0.00 C ATOM 876 CD2 LEU A 57 7.809 -11.752 6.987 1.00 0.00 C ATOM 0 H LEU A 57 5.079 -11.850 2.947 1.00 0.00 H new ATOM 0 HA LEU A 57 6.711 -10.173 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.133 -12.362 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.708 -13.130 4.948 1.00 0.00 H new ATOM 0 HG LEU A 57 5.950 -10.762 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.680 -12.414 8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.505 -12.682 7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.934 -13.733 7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.882 -11.456 8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.238 -12.746 6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.356 -11.039 6.369 1.00 0.00 H new ATOM 888 N ALA A 58 8.316 -12.470 2.786 1.00 0.00 N ATOM 889 CA ALA A 58 9.642 -12.922 2.384 1.00 0.00 C ATOM 890 C ALA A 58 10.167 -12.130 1.187 1.00 0.00 C ATOM 891 O ALA A 58 10.993 -12.628 0.418 1.00 0.00 O ATOM 892 CB ALA A 58 9.608 -14.409 2.064 1.00 0.00 C ATOM 0 H ALA A 58 7.546 -12.952 2.322 1.00 0.00 H new ATOM 0 HA ALA A 58 10.324 -12.749 3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.603 -14.740 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.292 -14.964 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.905 -14.590 1.251 1.00 0.00 H new ATOM 898 N LEU A 59 9.707 -10.890 1.042 1.00 0.00 N ATOM 899 CA LEU A 59 10.125 -10.049 -0.057 1.00 0.00 C ATOM 900 C LEU A 59 11.456 -9.378 0.257 1.00 0.00 C ATOM 901 O LEU A 59 11.880 -9.316 1.410 1.00 0.00 O ATOM 902 CB LEU A 59 9.067 -8.987 -0.332 1.00 0.00 C ATOM 903 CG LEU A 59 8.438 -9.017 -1.727 1.00 0.00 C ATOM 904 CD1 LEU A 59 7.455 -7.869 -1.888 1.00 0.00 C ATOM 905 CD2 LEU A 59 9.509 -8.958 -2.805 1.00 0.00 C ATOM 0 H LEU A 59 9.042 -10.451 1.679 1.00 0.00 H new ATOM 0 HA LEU A 59 10.248 -10.674 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.272 -9.094 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.516 -8.006 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 59 7.897 -9.957 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.016 -7.903 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.666 -7.958 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.977 -6.922 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.038 -8.981 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.082 -8.037 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.176 -9.814 -2.703 1.00 0.00 H new ATOM 917 N ASN A 60 12.096 -8.867 -0.782 1.00 0.00 N ATOM 918 CA ASN A 60 13.385 -8.195 -0.653 1.00 0.00 C ATOM 919 C ASN A 60 13.173 -6.686 -0.574 1.00 0.00 C ATOM 920 O ASN A 60 14.099 -5.895 -0.750 1.00 0.00 O ATOM 921 CB ASN A 60 14.249 -8.545 -1.867 1.00 0.00 C ATOM 922 CG ASN A 60 15.749 -8.486 -1.609 1.00 0.00 C ATOM 923 OD1 ASN A 60 16.507 -9.263 -2.184 1.00 0.00 O ATOM 924 ND2 ASN A 60 16.192 -7.559 -0.775 1.00 0.00 N ATOM 0 H ASN A 60 11.741 -8.904 -1.737 1.00 0.00 H new ATOM 0 HA ASN A 60 13.887 -8.524 0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.990 -9.548 -2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.005 -7.862 -2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.192 -7.473 -0.592 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.534 -6.930 -0.315 1.00 0.00 H new ATOM 931 N ASP A 61 11.942 -6.292 -0.304 1.00 0.00 N ATOM 932 CA ASP A 61 11.578 -4.886 -0.306 1.00 0.00 C ATOM 933 C ASP A 61 11.591 -4.335 1.113 1.00 0.00 C ATOM 934 O ASP A 61 11.247 -5.033 2.067 1.00 0.00 O ATOM 935 CB ASP A 61 10.201 -4.692 -0.943 1.00 0.00 C ATOM 936 CG ASP A 61 9.956 -3.258 -1.357 1.00 0.00 C ATOM 937 OD1 ASP A 61 9.568 -2.445 -0.501 1.00 0.00 O ATOM 938 OD2 ASP A 61 10.165 -2.938 -2.546 1.00 0.00 O ATOM 0 H ASP A 61 11.176 -6.927 -0.080 1.00 0.00 H new ATOM 0 HA ASP A 61 12.311 -4.338 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.112 -5.340 -1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.430 -5.001 -0.237 1.00 0.00 H new ATOM 943 N SER A 62 11.999 -3.086 1.243 1.00 0.00 N ATOM 944 CA SER A 62 12.140 -2.449 2.548 1.00 0.00 C ATOM 945 C SER A 62 10.847 -1.765 2.998 1.00 0.00 C ATOM 946 O SER A 62 10.800 -1.151 4.061 1.00 0.00 O ATOM 947 CB SER A 62 13.283 -1.436 2.513 1.00 0.00 C ATOM 948 OG SER A 62 14.487 -2.048 2.072 1.00 0.00 O ATOM 0 H SER A 62 12.241 -2.485 0.456 1.00 0.00 H new ATOM 0 HA SER A 62 12.365 -3.232 3.273 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.024 -0.612 1.848 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.429 -1.011 3.506 1.00 0.00 H new ATOM 0 HG SER A 62 15.206 -1.382 2.055 1.00 0.00 H new ATOM 954 N ARG A 63 9.806 -1.859 2.185 1.00 0.00 N ATOM 955 CA ARG A 63 8.498 -1.358 2.574 1.00 0.00 C ATOM 956 C ARG A 63 7.680 -2.484 3.190 1.00 0.00 C ATOM 957 O ARG A 63 6.496 -2.329 3.492 1.00 0.00 O ATOM 958 CB ARG A 63 7.789 -0.746 1.371 1.00 0.00 C ATOM 959 CG ARG A 63 8.402 0.578 0.944 1.00 0.00 C ATOM 960 CD ARG A 63 8.044 0.931 -0.486 1.00 0.00 C ATOM 961 NE ARG A 63 8.676 0.025 -1.443 1.00 0.00 N ATOM 962 CZ ARG A 63 9.029 0.376 -2.678 1.00 0.00 C ATOM 963 NH1 ARG A 63 8.852 1.626 -3.095 1.00 0.00 N ATOM 964 NH2 ARG A 63 9.571 -0.523 -3.486 1.00 0.00 N ATOM 0 H ARG A 63 9.842 -2.276 1.255 1.00 0.00 H new ATOM 0 HA ARG A 63 8.616 -0.574 3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.827 -1.446 0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.737 -0.594 1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.058 1.369 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.486 0.525 1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.962 0.893 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.353 1.955 -0.696 1.00 0.00 H new ATOM 0 HE ARG A 63 8.858 -0.934 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.445 2.320 -2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.124 1.891 -4.042 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.716 -1.479 -3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.843 -0.259 -4.433 1.00 0.00 H new ATOM 978 N ILE A 64 8.344 -3.617 3.377 1.00 0.00 N ATOM 979 CA ILE A 64 7.762 -4.754 4.062 1.00 0.00 C ATOM 980 C ILE A 64 8.222 -4.753 5.516 1.00 0.00 C ATOM 981 O ILE A 64 9.410 -4.586 5.795 1.00 0.00 O ATOM 982 CB ILE A 64 8.182 -6.092 3.406 1.00 0.00 C ATOM 983 CG1 ILE A 64 7.813 -6.109 1.918 1.00 0.00 C ATOM 984 CG2 ILE A 64 7.548 -7.272 4.130 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.325 -6.024 1.650 1.00 0.00 C ATOM 0 H ILE A 64 9.300 -3.770 3.057 1.00 0.00 H new ATOM 0 HA ILE A 64 6.677 -4.666 3.998 1.00 0.00 H new ATOM 0 HB ILE A 64 9.265 -6.183 3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.309 -5.275 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.201 -7.023 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.857 -8.201 3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.870 -7.275 5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.462 -7.185 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.147 -6.042 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.823 -6.872 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.933 -5.097 2.067 1.00 0.00 H new ATOM 997 N THR A 65 7.289 -4.899 6.435 1.00 0.00 N ATOM 998 CA THR A 65 7.622 -4.965 7.845 1.00 0.00 C ATOM 999 C THR A 65 7.567 -6.409 8.338 1.00 0.00 C ATOM 1000 O THR A 65 6.878 -7.244 7.750 1.00 0.00 O ATOM 1001 CB THR A 65 6.666 -4.093 8.675 1.00 0.00 C ATOM 1002 OG1 THR A 65 5.317 -4.387 8.312 1.00 0.00 O ATOM 1003 CG2 THR A 65 6.940 -2.610 8.460 1.00 0.00 C ATOM 0 H THR A 65 6.292 -4.974 6.231 1.00 0.00 H new ATOM 0 HA THR A 65 8.636 -4.585 7.970 1.00 0.00 H new ATOM 0 HB THR A 65 6.827 -4.319 9.729 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.089 -3.910 7.487 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.247 -2.021 9.061 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.963 -2.382 8.758 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.806 -2.364 7.407 1.00 0.00 H new ATOM 1011 N SER A 66 8.282 -6.696 9.420 1.00 0.00 N ATOM 1012 CA SER A 66 8.363 -8.051 9.958 1.00 0.00 C ATOM 1013 C SER A 66 7.004 -8.529 10.469 1.00 0.00 C ATOM 1014 O SER A 66 6.735 -9.729 10.509 1.00 0.00 O ATOM 1015 CB SER A 66 9.403 -8.108 11.082 1.00 0.00 C ATOM 1016 OG SER A 66 9.532 -9.417 11.614 1.00 0.00 O ATOM 0 H SER A 66 8.817 -6.005 9.945 1.00 0.00 H new ATOM 0 HA SER A 66 8.670 -8.717 9.152 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.368 -7.773 10.702 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.117 -7.419 11.877 1.00 0.00 H new ATOM 0 HG SER A 66 10.204 -9.416 12.327 1.00 0.00 H new ATOM 1022 N ASP A 67 6.149 -7.585 10.848 1.00 0.00 N ATOM 1023 CA ASP A 67 4.823 -7.920 11.359 1.00 0.00 C ATOM 1024 C ASP A 67 3.835 -8.131 10.220 1.00 0.00 C ATOM 1025 O ASP A 67 2.712 -8.590 10.432 1.00 0.00 O ATOM 1026 CB ASP A 67 4.307 -6.829 12.301 1.00 0.00 C ATOM 1027 CG ASP A 67 5.039 -6.823 13.627 1.00 0.00 C ATOM 1028 OD1 ASP A 67 4.750 -7.698 14.473 1.00 0.00 O ATOM 1029 OD2 ASP A 67 5.903 -5.943 13.836 1.00 0.00 O ATOM 0 H ASP A 67 6.349 -6.585 10.812 1.00 0.00 H new ATOM 0 HA ASP A 67 4.913 -8.851 11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.418 -5.856 11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.242 -6.978 12.477 1.00 0.00 H new ATOM 1034 N GLY A 68 4.265 -7.804 9.009 1.00 0.00 N ATOM 1035 CA GLY A 68 3.409 -7.966 7.858 1.00 0.00 C ATOM 1036 C GLY A 68 2.438 -6.819 7.700 1.00 0.00 C ATOM 1037 O GLY A 68 1.227 -7.019 7.669 1.00 0.00 O ATOM 0 H GLY A 68 5.192 -7.430 8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.022 -8.046 6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.854 -8.899 7.949 1.00 0.00 H new ATOM 1041 N VAL A 69 2.965 -5.607 7.627 1.00 0.00 N ATOM 1042 CA VAL A 69 2.143 -4.426 7.412 1.00 0.00 C ATOM 1043 C VAL A 69 2.760 -3.554 6.320 1.00 0.00 C ATOM 1044 O VAL A 69 3.947 -3.226 6.377 1.00 0.00 O ATOM 1045 CB VAL A 69 1.991 -3.585 8.702 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.005 -2.451 8.491 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.564 -4.450 9.879 1.00 0.00 C ATOM 0 H VAL A 69 3.963 -5.415 7.714 1.00 0.00 H new ATOM 0 HA VAL A 69 1.154 -4.770 7.109 1.00 0.00 H new ATOM 0 HB VAL A 69 2.966 -3.158 8.936 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.913 -1.873 9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.361 -1.804 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.032 -2.861 8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.466 -3.830 10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.606 -4.920 9.657 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.314 -5.221 10.055 1.00 0.00 H new ATOM 1057 N ILE A 70 1.958 -3.202 5.331 1.00 0.00 N ATOM 1058 CA ILE A 70 2.399 -2.331 4.249 1.00 0.00 C ATOM 1059 C ILE A 70 2.217 -0.874 4.653 1.00 0.00 C ATOM 1060 O ILE A 70 1.091 -0.413 4.820 1.00 0.00 O ATOM 1061 CB ILE A 70 1.604 -2.600 2.953 1.00 0.00 C ATOM 1062 CG1 ILE A 70 1.815 -4.040 2.473 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.003 -1.615 1.865 1.00 0.00 C ATOM 1064 CD1 ILE A 70 3.249 -4.354 2.111 1.00 0.00 C ATOM 0 H ILE A 70 0.988 -3.508 5.252 1.00 0.00 H new ATOM 0 HA ILE A 70 3.452 -2.539 4.060 1.00 0.00 H new ATOM 0 HB ILE A 70 0.545 -2.464 3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.488 -4.726 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.182 -4.221 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.432 -1.821 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.797 -0.599 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.067 -1.718 1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.322 -5.390 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.575 -3.693 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.885 -4.206 2.983 1.00 0.00 H new ATOM 1076 N VAL A 71 3.316 -0.158 4.822 1.00 0.00 N ATOM 1077 CA VAL A 71 3.251 1.242 5.225 1.00 0.00 C ATOM 1078 C VAL A 71 3.999 2.118 4.231 1.00 0.00 C ATOM 1079 O VAL A 71 5.206 1.961 4.040 1.00 0.00 O ATOM 1080 CB VAL A 71 3.854 1.467 6.625 1.00 0.00 C ATOM 1081 CG1 VAL A 71 3.617 2.893 7.093 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.294 0.472 7.630 1.00 0.00 C ATOM 0 H VAL A 71 4.261 -0.518 4.688 1.00 0.00 H new ATOM 0 HA VAL A 71 2.196 1.513 5.249 1.00 0.00 H new ATOM 0 HB VAL A 71 4.929 1.304 6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.052 3.028 8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.084 3.588 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.546 3.088 7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.737 0.655 8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.212 0.589 7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.530 -0.542 7.308 1.00 0.00 H new ATOM 1092 N LEU A 72 3.282 3.035 3.600 1.00 0.00 N ATOM 1093 CA LEU A 72 3.881 3.961 2.648 1.00 0.00 C ATOM 1094 C LEU A 72 3.280 5.342 2.818 1.00 0.00 C ATOM 1095 O LEU A 72 2.266 5.515 3.503 1.00 0.00 O ATOM 1096 CB LEU A 72 3.676 3.528 1.187 1.00 0.00 C ATOM 1097 CG LEU A 72 4.546 2.371 0.675 1.00 0.00 C ATOM 1098 CD1 LEU A 72 4.009 1.026 1.130 1.00 0.00 C ATOM 1099 CD2 LEU A 72 4.638 2.419 -0.843 1.00 0.00 C ATOM 0 H LEU A 72 2.278 3.159 3.730 1.00 0.00 H new ATOM 0 HA LEU A 72 4.951 3.968 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.630 3.248 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.854 4.394 0.549 1.00 0.00 H new ATOM 0 HG LEU A 72 5.544 2.488 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.650 0.231 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.994 0.990 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.997 0.890 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.257 1.594 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.639 2.332 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.084 3.365 -1.151 1.00 0.00 H new ATOM 1111 N LYS A 73 3.891 6.308 2.164 1.00 0.00 N ATOM 1112 CA LYS A 73 3.407 7.674 2.173 1.00 0.00 C ATOM 1113 C LYS A 73 3.581 8.292 0.795 1.00 0.00 C ATOM 1114 O LYS A 73 4.697 8.541 0.337 1.00 0.00 O ATOM 1115 CB LYS A 73 4.118 8.507 3.245 1.00 0.00 C ATOM 1116 CG LYS A 73 5.624 8.304 3.292 1.00 0.00 C ATOM 1117 CD LYS A 73 6.278 9.237 4.300 1.00 0.00 C ATOM 1118 CE LYS A 73 7.767 8.966 4.420 1.00 0.00 C ATOM 1119 NZ LYS A 73 8.451 9.979 5.268 1.00 0.00 N ATOM 0 H LYS A 73 4.737 6.169 1.611 1.00 0.00 H new ATOM 0 HA LYS A 73 2.346 7.665 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.910 9.562 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.698 8.259 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.845 7.269 3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.047 8.480 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.118 10.272 3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.804 9.113 5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.922 7.974 4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.216 8.962 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.466 9.757 5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.326 10.923 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.041 9.966 6.224 1.00 0.00 H new ATOM 1133 N ALA A 74 2.466 8.516 0.133 1.00 0.00 N ATOM 1134 CA ALA A 74 2.476 9.067 -1.206 1.00 0.00 C ATOM 1135 C ALA A 74 2.366 10.582 -1.146 1.00 0.00 C ATOM 1136 O ALA A 74 1.294 11.132 -0.901 1.00 0.00 O ATOM 1137 CB ALA A 74 1.350 8.468 -2.036 1.00 0.00 C ATOM 0 H ALA A 74 1.535 8.324 0.503 1.00 0.00 H new ATOM 0 HA ALA A 74 3.419 8.811 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.372 8.893 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.478 7.387 -2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.392 8.694 -1.567 1.00 0.00 H new ATOM 1143 N GLN A 75 3.493 11.245 -1.338 1.00 0.00 N ATOM 1144 CA GLN A 75 3.559 12.696 -1.280 1.00 0.00 C ATOM 1145 C GLN A 75 3.974 13.254 -2.637 1.00 0.00 C ATOM 1146 O GLN A 75 4.491 14.366 -2.733 1.00 0.00 O ATOM 1147 CB GLN A 75 4.570 13.120 -0.211 1.00 0.00 C ATOM 1148 CG GLN A 75 5.967 12.566 -0.449 1.00 0.00 C ATOM 1149 CD GLN A 75 6.964 12.993 0.605 1.00 0.00 C ATOM 1150 OE1 GLN A 75 6.621 13.197 1.769 1.00 0.00 O ATOM 1151 NE2 GLN A 75 8.211 13.133 0.199 1.00 0.00 N ATOM 0 H GLN A 75 4.386 10.795 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 75 2.576 13.090 -1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.619 14.208 -0.179 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.217 12.788 0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.920 11.477 -0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.319 12.894 -1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.453 12.954 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.933 13.420 0.859 1.00 0.00 H new ATOM 1160 N GLN A 76 3.732 12.477 -3.681 1.00 0.00 N ATOM 1161 CA GLN A 76 4.226 12.807 -5.008 1.00 0.00 C ATOM 1162 C GLN A 76 3.282 13.750 -5.752 1.00 0.00 C ATOM 1163 O GLN A 76 3.682 14.836 -6.168 1.00 0.00 O ATOM 1164 CB GLN A 76 4.438 11.524 -5.816 1.00 0.00 C ATOM 1165 CG GLN A 76 4.882 11.758 -7.254 1.00 0.00 C ATOM 1166 CD GLN A 76 6.194 12.518 -7.362 1.00 0.00 C ATOM 1167 OE1 GLN A 76 6.409 13.262 -8.318 1.00 0.00 O ATOM 1168 NE2 GLN A 76 7.084 12.325 -6.402 1.00 0.00 N ATOM 0 H GLN A 76 3.195 11.611 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 76 5.177 13.327 -4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.185 10.910 -5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.509 10.954 -5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.985 10.796 -7.756 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.105 12.311 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.869 11.700 -5.625 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.985 12.801 -6.439 1.00 0.00 H new ATOM 1177 N TYR A 77 2.034 13.334 -5.918 1.00 0.00 N ATOM 1178 CA TYR A 77 1.090 14.064 -6.745 1.00 0.00 C ATOM 1179 C TYR A 77 0.534 15.287 -6.025 1.00 0.00 C ATOM 1180 O TYR A 77 0.628 15.398 -4.804 1.00 0.00 O ATOM 1181 CB TYR A 77 -0.042 13.139 -7.157 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.063 12.826 -8.637 1.00 0.00 C ATOM 1183 CD1 TYR A 77 -0.639 13.708 -9.546 1.00 0.00 C ATOM 1184 CD2 TYR A 77 0.481 11.645 -9.125 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -0.663 13.422 -10.896 1.00 0.00 C ATOM 1186 CE2 TYR A 77 0.460 11.355 -10.475 1.00 0.00 C ATOM 1187 CZ TYR A 77 -0.117 12.244 -11.355 1.00 0.00 C ATOM 1188 OH TYR A 77 -0.145 11.958 -12.699 1.00 0.00 O ATOM 0 H TYR A 77 1.653 12.491 -5.488 1.00 0.00 H new ATOM 0 HA TYR A 77 1.618 14.419 -7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.041 12.207 -6.599 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.992 13.595 -6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.074 14.630 -9.190 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.928 10.942 -8.438 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.108 14.120 -11.590 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.894 10.435 -10.839 1.00 0.00 H new ATOM 0 HH TYR A 77 0.282 11.090 -12.858 1.00 0.00 H new ATOM 1198 N ARG A 78 -0.069 16.184 -6.799 1.00 0.00 N ATOM 1199 CA ARG A 78 -0.578 17.449 -6.276 1.00 0.00 C ATOM 1200 C ARG A 78 -1.769 17.226 -5.342 1.00 0.00 C ATOM 1201 O ARG A 78 -1.969 17.977 -4.392 1.00 0.00 O ATOM 1202 CB ARG A 78 -0.970 18.369 -7.444 1.00 0.00 C ATOM 1203 CG ARG A 78 -1.202 19.826 -7.054 1.00 0.00 C ATOM 1204 CD ARG A 78 -2.615 20.079 -6.541 1.00 0.00 C ATOM 1205 NE ARG A 78 -2.739 21.396 -5.917 1.00 0.00 N ATOM 1206 CZ ARG A 78 -3.855 21.861 -5.353 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -4.981 21.158 -5.417 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -3.841 23.040 -4.742 1.00 0.00 N ATOM 0 H ARG A 78 -0.218 16.057 -7.800 1.00 0.00 H new ATOM 0 HA ARG A 78 0.210 17.925 -5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.186 18.329 -8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.878 17.981 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.484 20.111 -6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.014 20.464 -7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.321 20.001 -7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.883 19.308 -5.819 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.917 22.000 -5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.994 20.259 -5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.832 21.517 -4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.980 23.585 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.691 23.400 -4.309 1.00 0.00 H new ATOM 1222 N THR A 79 -2.562 16.202 -5.618 1.00 0.00 N ATOM 1223 CA THR A 79 -3.740 15.919 -4.815 1.00 0.00 C ATOM 1224 C THR A 79 -3.631 14.562 -4.129 1.00 0.00 C ATOM 1225 O THR A 79 -3.096 13.608 -4.701 1.00 0.00 O ATOM 1226 CB THR A 79 -5.021 15.955 -5.670 1.00 0.00 C ATOM 1227 OG1 THR A 79 -4.822 15.217 -6.882 1.00 0.00 O ATOM 1228 CG2 THR A 79 -5.411 17.388 -5.999 1.00 0.00 C ATOM 0 H THR A 79 -2.411 15.554 -6.391 1.00 0.00 H new ATOM 0 HA THR A 79 -3.798 16.697 -4.054 1.00 0.00 H new ATOM 0 HB THR A 79 -5.828 15.499 -5.097 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.598 15.335 -7.468 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.318 17.389 -6.603 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.590 17.938 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.604 17.866 -6.555 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.141 14.480 -2.904 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.157 13.226 -2.156 1.00 0.00 C ATOM 1238 C GLN A 80 -4.995 12.180 -2.878 1.00 0.00 C ATOM 1239 O GLN A 80 -4.790 10.986 -2.702 1.00 0.00 O ATOM 1240 CB GLN A 80 -4.692 13.446 -0.739 1.00 0.00 C ATOM 1241 CG GLN A 80 -3.764 14.274 0.137 1.00 0.00 C ATOM 1242 CD GLN A 80 -4.255 14.403 1.567 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -5.454 14.409 1.831 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -3.324 14.498 2.504 1.00 0.00 N ATOM 0 H GLN A 80 -4.550 15.270 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.132 12.862 -2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.661 13.941 -0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.857 12.478 -0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -2.773 13.819 0.139 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.657 15.269 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.337 14.489 2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.594 14.580 3.484 1.00 0.00 H new ATOM 1253 N GLU A 81 -5.941 12.640 -3.689 1.00 0.00 N ATOM 1254 CA GLU A 81 -6.754 11.754 -4.516 1.00 0.00 C ATOM 1255 C GLU A 81 -5.878 10.948 -5.473 1.00 0.00 C ATOM 1256 O GLU A 81 -5.990 9.724 -5.556 1.00 0.00 O ATOM 1257 CB GLU A 81 -7.775 12.569 -5.313 1.00 0.00 C ATOM 1258 CG GLU A 81 -8.650 11.725 -6.225 1.00 0.00 C ATOM 1259 CD GLU A 81 -9.518 12.566 -7.133 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -9.037 12.977 -8.206 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -10.684 12.830 -6.778 1.00 0.00 O ATOM 0 H GLU A 81 -6.165 13.630 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.279 11.061 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.411 13.117 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.247 13.310 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.018 11.076 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.284 11.078 -5.619 1.00 0.00 H new ATOM 1268 N GLN A 82 -4.993 11.638 -6.181 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.106 10.983 -7.131 1.00 0.00 C ATOM 1270 C GLN A 82 -3.101 10.103 -6.397 1.00 0.00 C ATOM 1271 O GLN A 82 -2.758 9.019 -6.864 1.00 0.00 O ATOM 1272 CB GLN A 82 -3.375 12.016 -7.990 1.00 0.00 C ATOM 1273 CG GLN A 82 -4.306 12.928 -8.772 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.175 12.183 -9.765 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -4.779 11.161 -10.327 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -6.376 12.687 -9.980 1.00 0.00 N ATOM 0 H GLN A 82 -4.871 12.649 -6.115 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.710 10.356 -7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.739 12.625 -7.348 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.719 11.496 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.945 13.469 -8.074 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.713 13.672 -9.304 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.667 13.536 -9.495 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.013 12.228 -10.631 1.00 0.00 H new ATOM 1285 N ASN A 83 -2.645 10.562 -5.234 1.00 0.00 N ATOM 1286 CA ASN A 83 -1.725 9.771 -4.419 1.00 0.00 C ATOM 1287 C ASN A 83 -2.440 8.548 -3.851 1.00 0.00 C ATOM 1288 O ASN A 83 -1.832 7.502 -3.633 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.127 10.605 -3.280 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.121 11.643 -3.757 1.00 0.00 C ATOM 1291 OD1 ASN A 83 1.050 11.334 -3.988 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.561 12.883 -3.891 1.00 0.00 N ATOM 0 H ASN A 83 -2.894 11.468 -4.837 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.908 9.443 -5.062 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.933 11.109 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.641 9.939 -2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.076 13.620 -4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.537 13.102 -3.691 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.741 8.693 -3.619 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.580 7.589 -3.162 1.00 0.00 C ATOM 1301 C ARG A 84 -4.604 6.500 -4.223 1.00 0.00 C ATOM 1302 O ARG A 84 -4.371 5.328 -3.937 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.000 8.102 -2.909 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.908 7.136 -2.165 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.319 7.699 -2.076 1.00 0.00 C ATOM 1306 NE ARG A 84 -9.189 6.931 -1.182 1.00 0.00 N ATOM 1307 CZ ARG A 84 -10.522 6.947 -1.260 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -11.118 7.567 -2.269 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -11.256 6.318 -0.350 1.00 0.00 N ATOM 0 H ARG A 84 -4.242 9.573 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.176 7.178 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.939 9.031 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.459 8.344 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.925 6.174 -2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.517 6.957 -1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.271 8.731 -1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.759 7.719 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.754 6.354 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.558 8.031 -2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.136 7.580 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.802 5.818 0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.274 6.334 -0.416 1.00 0.00 H new ATOM 1323 N ALA A 85 -4.880 6.916 -5.454 1.00 0.00 N ATOM 1324 CA ALA A 85 -4.900 6.002 -6.590 1.00 0.00 C ATOM 1325 C ALA A 85 -3.523 5.388 -6.819 1.00 0.00 C ATOM 1326 O ALA A 85 -3.409 4.191 -7.104 1.00 0.00 O ATOM 1327 CB ALA A 85 -5.375 6.727 -7.838 1.00 0.00 C ATOM 0 H ALA A 85 -5.094 7.885 -5.691 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.596 5.193 -6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.386 6.034 -8.679 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.381 7.114 -7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.700 7.554 -8.058 1.00 0.00 H new ATOM 1333 N ASP A 86 -2.484 6.213 -6.694 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.103 5.741 -6.821 1.00 0.00 C ATOM 1335 C ASP A 86 -0.832 4.641 -5.817 1.00 0.00 C ATOM 1336 O ASP A 86 -0.392 3.558 -6.183 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.108 6.883 -6.593 1.00 0.00 C ATOM 1338 CG ASP A 86 1.345 6.420 -6.660 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.861 6.206 -7.782 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.975 6.264 -5.589 1.00 0.00 O ATOM 0 H ASP A 86 -2.571 7.212 -6.505 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.975 5.357 -7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.273 7.658 -7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.297 7.335 -5.619 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.117 4.930 -4.555 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.906 3.979 -3.470 1.00 0.00 C ATOM 1347 C ALA A 87 -1.629 2.657 -3.720 1.00 0.00 C ATOM 1348 O ALA A 87 -1.078 1.585 -3.473 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.357 4.584 -2.151 1.00 0.00 C ATOM 0 H ALA A 87 -1.500 5.826 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 87 0.161 3.763 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.195 3.866 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.783 5.489 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.417 4.832 -2.208 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.858 2.733 -4.216 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.644 1.535 -4.487 1.00 0.00 C ATOM 1357 C LEU A 88 -3.026 0.713 -5.617 1.00 0.00 C ATOM 1358 O LEU A 88 -2.937 -0.515 -5.527 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.087 1.910 -4.829 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.878 2.559 -3.690 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.283 2.908 -4.151 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.925 1.637 -2.478 1.00 0.00 C ATOM 0 H LEU A 88 -3.331 3.609 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.644 0.922 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.077 2.593 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.613 1.011 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.372 3.480 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.832 3.368 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.229 3.605 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.798 2.001 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.491 2.115 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.407 0.699 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.910 1.436 -2.134 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.593 1.390 -6.673 1.00 0.00 N ATOM 1375 CA LEU A 89 -1.940 0.728 -7.797 1.00 0.00 C ATOM 1376 C LEU A 89 -0.573 0.211 -7.357 1.00 0.00 C ATOM 1377 O LEU A 89 -0.147 -0.875 -7.736 1.00 0.00 O ATOM 1378 CB LEU A 89 -1.804 1.715 -8.970 1.00 0.00 C ATOM 1379 CG LEU A 89 -1.587 1.097 -10.361 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -0.167 0.574 -10.528 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -2.590 -0.019 -10.612 1.00 0.00 C ATOM 0 H LEU A 89 -2.682 2.401 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.541 -0.119 -8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.704 2.330 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.969 2.384 -8.759 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.742 1.886 -11.097 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.052 0.145 -11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.540 1.394 -10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.029 -0.192 -9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.421 -0.444 -11.601 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.467 -0.796 -9.857 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.602 0.382 -10.558 1.00 0.00 H new ATOM 1393 N ARG A 90 0.089 1.005 -6.535 1.00 0.00 N ATOM 1394 CA ARG A 90 1.397 0.675 -5.994 1.00 0.00 C ATOM 1395 C ARG A 90 1.322 -0.604 -5.166 1.00 0.00 C ATOM 1396 O ARG A 90 2.163 -1.490 -5.294 1.00 0.00 O ATOM 1397 CB ARG A 90 1.863 1.837 -5.119 1.00 0.00 C ATOM 1398 CG ARG A 90 3.327 2.205 -5.259 1.00 0.00 C ATOM 1399 CD ARG A 90 3.575 3.573 -4.649 1.00 0.00 C ATOM 1400 NE ARG A 90 4.983 3.954 -4.651 1.00 0.00 N ATOM 1401 CZ ARG A 90 5.403 5.218 -4.549 1.00 0.00 C ATOM 1402 NH1 ARG A 90 4.529 6.220 -4.602 1.00 0.00 N ATOM 1403 NH2 ARG A 90 6.701 5.482 -4.453 1.00 0.00 N ATOM 0 H ARG A 90 -0.269 1.907 -6.220 1.00 0.00 H new ATOM 0 HA ARG A 90 2.103 0.511 -6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.260 2.714 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.666 1.587 -4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.948 1.458 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.611 2.209 -6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.002 4.319 -5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.204 3.580 -3.624 1.00 0.00 H new ATOM 0 HE ARG A 90 5.683 3.217 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.535 6.024 -4.721 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.853 7.184 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.378 4.719 -4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.021 6.447 -4.375 1.00 0.00 H new ATOM 1417 N LEU A 91 0.295 -0.683 -4.327 1.00 0.00 N ATOM 1418 CA LEU A 91 0.071 -1.845 -3.476 1.00 0.00 C ATOM 1419 C LEU A 91 -0.179 -3.088 -4.309 1.00 0.00 C ATOM 1420 O LEU A 91 0.473 -4.113 -4.130 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.135 -1.599 -2.568 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.459 -2.720 -1.578 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -0.289 -2.955 -0.634 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.718 -2.384 -0.789 1.00 0.00 C ATOM 0 H LEU A 91 -0.403 0.053 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 91 0.965 -2.000 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.962 -0.681 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.010 -1.429 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.636 -3.636 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.538 -3.756 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.592 -3.237 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.082 -2.041 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.935 -3.191 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.565 -1.457 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.556 -2.264 -1.475 1.00 0.00 H new ATOM 1436 N SER A 92 -1.121 -2.977 -5.228 1.00 0.00 N ATOM 1437 CA SER A 92 -1.506 -4.099 -6.072 1.00 0.00 C ATOM 1438 C SER A 92 -0.342 -4.569 -6.944 1.00 0.00 C ATOM 1439 O SER A 92 -0.113 -5.771 -7.084 1.00 0.00 O ATOM 1440 CB SER A 92 -2.714 -3.721 -6.928 1.00 0.00 C ATOM 1441 OG SER A 92 -2.553 -2.436 -7.494 1.00 0.00 O ATOM 0 H SER A 92 -1.638 -2.117 -5.411 1.00 0.00 H new ATOM 0 HA SER A 92 -1.782 -4.932 -5.426 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.847 -4.457 -7.721 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.617 -3.743 -6.318 1.00 0.00 H new ATOM 0 HG SER A 92 -2.828 -1.756 -6.845 1.00 0.00 H new ATOM 1447 N GLU A 93 0.392 -3.616 -7.505 1.00 0.00 N ATOM 1448 CA GLU A 93 1.575 -3.928 -8.305 1.00 0.00 C ATOM 1449 C GLU A 93 2.579 -4.689 -7.454 1.00 0.00 C ATOM 1450 O GLU A 93 3.088 -5.720 -7.866 1.00 0.00 O ATOM 1451 CB GLU A 93 2.208 -2.639 -8.845 1.00 0.00 C ATOM 1452 CG GLU A 93 2.842 -2.767 -10.228 1.00 0.00 C ATOM 1453 CD GLU A 93 4.093 -3.631 -10.265 1.00 0.00 C ATOM 1454 OE1 GLU A 93 5.117 -3.236 -9.661 1.00 0.00 O ATOM 1455 OE2 GLU A 93 4.075 -4.688 -10.941 1.00 0.00 O ATOM 0 H GLU A 93 0.191 -2.620 -7.422 1.00 0.00 H new ATOM 0 HA GLU A 93 1.279 -4.548 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.443 -1.863 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.970 -2.303 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.106 -3.184 -10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.091 -1.771 -10.594 1.00 0.00 H new ATOM 1462 N LEU A 94 2.830 -4.184 -6.250 1.00 0.00 N ATOM 1463 CA LEU A 94 3.783 -4.800 -5.330 1.00 0.00 C ATOM 1464 C LEU A 94 3.358 -6.233 -4.986 1.00 0.00 C ATOM 1465 O LEU A 94 4.188 -7.144 -4.964 1.00 0.00 O ATOM 1466 CB LEU A 94 3.901 -3.937 -4.061 1.00 0.00 C ATOM 1467 CG LEU A 94 5.076 -4.241 -3.117 1.00 0.00 C ATOM 1468 CD1 LEU A 94 4.801 -5.468 -2.258 1.00 0.00 C ATOM 1469 CD2 LEU A 94 6.365 -4.420 -3.909 1.00 0.00 C ATOM 0 H LEU A 94 2.383 -3.343 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 94 4.760 -4.855 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.973 -2.893 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.976 -4.040 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 94 5.192 -3.389 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.653 -5.652 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.910 -5.297 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.643 -6.334 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.186 -4.634 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.250 -5.248 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.583 -3.506 -4.461 1.00 0.00 H new ATOM 1481 N ILE A 95 2.066 -6.427 -4.732 1.00 0.00 N ATOM 1482 CA ILE A 95 1.541 -7.746 -4.380 1.00 0.00 C ATOM 1483 C ILE A 95 1.735 -8.732 -5.532 1.00 0.00 C ATOM 1484 O ILE A 95 2.272 -9.825 -5.339 1.00 0.00 O ATOM 1485 CB ILE A 95 0.045 -7.682 -3.991 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.140 -6.805 -2.749 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.508 -9.081 -3.743 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.582 -6.645 -2.324 1.00 0.00 C ATOM 0 H ILE A 95 1.363 -5.689 -4.763 1.00 0.00 H new ATOM 0 HA ILE A 95 2.103 -8.094 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.509 -7.239 -4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.427 -7.236 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.283 -5.820 -2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.561 -9.013 -3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.405 -9.679 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.047 -9.553 -2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.632 -6.011 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.151 -6.185 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.004 -7.623 -2.095 1.00 0.00 H new ATOM 1500 N VAL A 96 1.312 -8.339 -6.729 1.00 0.00 N ATOM 1501 CA VAL A 96 1.465 -9.190 -7.904 1.00 0.00 C ATOM 1502 C VAL A 96 2.942 -9.359 -8.249 1.00 0.00 C ATOM 1503 O VAL A 96 3.372 -10.425 -8.687 1.00 0.00 O ATOM 1504 CB VAL A 96 0.706 -8.614 -9.123 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.862 -9.519 -10.341 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -0.768 -8.423 -8.790 1.00 0.00 C ATOM 0 H VAL A 96 0.863 -7.441 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 96 1.036 -10.163 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 96 1.139 -7.643 -9.363 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.319 -9.091 -11.184 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.918 -9.607 -10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.461 -10.507 -10.114 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.287 -8.017 -9.658 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.207 -9.383 -8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.865 -7.732 -7.953 1.00 0.00 H new ATOM 1516 N ASN A 97 3.712 -8.303 -8.025 1.00 0.00 N ATOM 1517 CA ASN A 97 5.146 -8.298 -8.289 1.00 0.00 C ATOM 1518 C ASN A 97 5.831 -9.431 -7.531 1.00 0.00 C ATOM 1519 O ASN A 97 6.580 -10.219 -8.107 1.00 0.00 O ATOM 1520 CB ASN A 97 5.729 -6.949 -7.869 1.00 0.00 C ATOM 1521 CG ASN A 97 6.982 -6.566 -8.626 1.00 0.00 C ATOM 1522 OD1 ASN A 97 7.799 -7.405 -8.989 1.00 0.00 O ATOM 1523 ND2 ASN A 97 7.126 -5.277 -8.891 1.00 0.00 N ATOM 0 H ASN A 97 3.359 -7.421 -7.653 1.00 0.00 H new ATOM 0 HA ASN A 97 5.317 -8.451 -9.355 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.975 -6.176 -8.017 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.953 -6.976 -6.803 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.939 -4.952 -9.414 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.424 -4.609 -8.572 1.00 0.00 H new ATOM 1530 N ALA A 98 5.530 -9.526 -6.240 1.00 0.00 N ATOM 1531 CA ALA A 98 6.105 -10.555 -5.382 1.00 0.00 C ATOM 1532 C ALA A 98 5.665 -11.953 -5.807 1.00 0.00 C ATOM 1533 O ALA A 98 6.336 -12.944 -5.509 1.00 0.00 O ATOM 1534 CB ALA A 98 5.720 -10.302 -3.935 1.00 0.00 C ATOM 0 H ALA A 98 4.885 -8.897 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 98 7.189 -10.504 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.154 -11.076 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.094 -9.327 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.634 -10.321 -3.839 1.00 0.00 H new ATOM 1540 N ALA A 99 4.537 -12.032 -6.495 1.00 0.00 N ATOM 1541 CA ALA A 99 3.995 -13.311 -6.928 1.00 0.00 C ATOM 1542 C ALA A 99 4.559 -13.743 -8.281 1.00 0.00 C ATOM 1543 O ALA A 99 4.818 -14.926 -8.500 1.00 0.00 O ATOM 1544 CB ALA A 99 2.474 -13.250 -6.983 1.00 0.00 C ATOM 0 H ALA A 99 3.977 -11.223 -6.766 1.00 0.00 H new ATOM 0 HA ALA A 99 4.297 -14.059 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.083 -14.214 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.083 -13.015 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.166 -12.477 -7.687 1.00 0.00 H new ATOM 1550 N LYS A 100 4.745 -12.790 -9.189 1.00 0.00 N ATOM 1551 CA LYS A 100 5.171 -13.102 -10.545 1.00 0.00 C ATOM 1552 C LYS A 100 6.672 -13.317 -10.635 1.00 0.00 C ATOM 1553 O LYS A 100 7.165 -13.955 -11.566 1.00 0.00 O ATOM 1554 CB LYS A 100 4.720 -11.998 -11.494 1.00 0.00 C ATOM 1555 CG LYS A 100 5.262 -10.614 -11.170 1.00 0.00 C ATOM 1556 CD LYS A 100 4.636 -9.563 -12.075 1.00 0.00 C ATOM 1557 CE LYS A 100 5.015 -8.154 -11.650 1.00 0.00 C ATOM 1558 NZ LYS A 100 4.349 -7.115 -12.480 1.00 0.00 N ATOM 0 H LYS A 100 4.607 -11.796 -9.008 1.00 0.00 H new ATOM 0 HA LYS A 100 4.701 -14.040 -10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 100 5.023 -12.263 -12.507 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.631 -11.956 -11.488 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.055 -10.372 -10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.345 -10.605 -11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.957 -9.731 -13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.551 -9.668 -12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.746 -8.008 -10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.096 -8.034 -11.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.247 -6.241 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.925 -6.924 -13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.409 -7.453 -12.771 1.00 0.00 H new ATOM 1572 N LEU A 101 7.390 -12.782 -9.672 1.00 0.00 N ATOM 1573 CA LEU A 101 8.822 -12.997 -9.581 1.00 0.00 C ATOM 1574 C LEU A 101 9.114 -14.333 -8.914 1.00 0.00 C ATOM 1575 O LEU A 101 8.214 -14.980 -8.374 1.00 0.00 O ATOM 1576 CB LEU A 101 9.483 -11.873 -8.784 1.00 0.00 C ATOM 1577 CG LEU A 101 9.446 -10.486 -9.434 1.00 0.00 C ATOM 1578 CD1 LEU A 101 10.197 -9.483 -8.575 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.033 -10.533 -10.840 1.00 0.00 C ATOM 0 H LEU A 101 7.005 -12.191 -8.935 1.00 0.00 H new ATOM 0 HA LEU A 101 9.230 -13.003 -10.592 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.999 -11.810 -7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.524 -12.143 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 101 8.406 -10.169 -9.511 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.163 -8.502 -9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.733 -9.427 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.235 -9.799 -8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.997 -9.538 -11.283 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.068 -10.871 -10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.454 -11.224 -11.453 1.00 0.00 H new ATOM 1591 N GLU A 102 10.369 -14.742 -8.945 1.00 0.00 N ATOM 1592 CA GLU A 102 10.786 -15.973 -8.287 1.00 0.00 C ATOM 1593 C GLU A 102 11.471 -15.658 -6.960 1.00 0.00 C ATOM 1594 O GLU A 102 11.237 -16.323 -5.952 1.00 0.00 O ATOM 1595 CB GLU A 102 11.701 -16.816 -9.196 1.00 0.00 C ATOM 1596 CG GLU A 102 12.290 -16.065 -10.389 1.00 0.00 C ATOM 1597 CD GLU A 102 13.377 -15.081 -10.008 1.00 0.00 C ATOM 1598 OE1 GLU A 102 13.044 -13.978 -9.534 1.00 0.00 O ATOM 1599 OE2 GLU A 102 14.574 -15.402 -10.191 1.00 0.00 O ATOM 0 H GLU A 102 11.121 -14.241 -9.419 1.00 0.00 H new ATOM 0 HA GLU A 102 9.895 -16.567 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.519 -17.213 -8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.134 -17.670 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.697 -16.787 -11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.491 -15.530 -10.902 1.00 0.00 H new ATOM 1606 N HIS A 103 12.309 -14.630 -6.972 1.00 0.00 N ATOM 1607 CA HIS A 103 12.984 -14.154 -5.772 1.00 0.00 C ATOM 1608 C HIS A 103 13.645 -12.807 -6.048 1.00 0.00 C ATOM 1609 O HIS A 103 13.496 -12.264 -7.140 1.00 0.00 O ATOM 1610 CB HIS A 103 14.004 -15.183 -5.245 1.00 0.00 C ATOM 1611 CG HIS A 103 14.839 -15.852 -6.299 1.00 0.00 C ATOM 1612 ND1 HIS A 103 14.609 -17.143 -6.735 1.00 0.00 N ATOM 1613 CD2 HIS A 103 15.918 -15.417 -6.987 1.00 0.00 C ATOM 1614 CE1 HIS A 103 15.508 -17.467 -7.641 1.00 0.00 C ATOM 1615 NE2 HIS A 103 16.313 -16.440 -7.811 1.00 0.00 N ATOM 0 H HIS A 103 12.540 -14.103 -7.814 1.00 0.00 H new ATOM 0 HA HIS A 103 12.238 -14.023 -4.989 1.00 0.00 H new ATOM 0 HB2 HIS A 103 14.669 -14.684 -4.540 1.00 0.00 H new ATOM 0 HB3 HIS A 103 13.467 -15.951 -4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 103 16.382 -14.446 -6.904 1.00 0.00 H new ATOM 0 HE1 HIS A 103 15.573 -18.414 -8.156 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.105 -16.410 -8.453 1.00 0.00 H new ATOM 1624 N HIS A 104 14.372 -12.276 -5.061 1.00 0.00 N ATOM 1625 CA HIS A 104 14.940 -10.927 -5.144 1.00 0.00 C ATOM 1626 C HIS A 104 13.821 -9.884 -5.218 1.00 0.00 C ATOM 1627 O HIS A 104 12.696 -10.119 -4.779 1.00 0.00 O ATOM 1628 CB HIS A 104 15.853 -10.752 -6.375 1.00 0.00 C ATOM 1629 CG HIS A 104 17.085 -11.602 -6.392 1.00 0.00 C ATOM 1630 ND1 HIS A 104 17.394 -12.432 -7.445 1.00 0.00 N ATOM 1631 CD2 HIS A 104 18.112 -11.708 -5.515 1.00 0.00 C ATOM 1632 CE1 HIS A 104 18.555 -13.013 -7.219 1.00 0.00 C ATOM 1633 NE2 HIS A 104 19.013 -12.593 -6.057 1.00 0.00 N ATOM 0 H HIS A 104 14.582 -12.763 -4.190 1.00 0.00 H new ATOM 0 HA HIS A 104 15.539 -10.784 -4.245 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.271 -10.969 -7.271 1.00 0.00 H new ATOM 0 HB3 HIS A 104 16.154 -9.706 -6.436 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.205 -11.195 -4.569 1.00 0.00 H new ATOM 0 HE1 HIS A 104 19.048 -13.715 -7.875 1.00 0.00 H new ATOM 0 HE2 HIS A 104 19.894 -12.879 -5.629 1.00 0.00 H new ATOM 1642 N HIS A 105 14.164 -8.724 -5.755 1.00 0.00 N ATOM 1643 CA HIS A 105 13.194 -7.672 -6.039 1.00 0.00 C ATOM 1644 C HIS A 105 13.804 -6.708 -7.043 1.00 0.00 C ATOM 1645 O HIS A 105 13.117 -6.152 -7.899 1.00 0.00 O ATOM 1646 CB HIS A 105 12.786 -6.919 -4.765 1.00 0.00 C ATOM 1647 CG HIS A 105 11.716 -5.890 -4.994 1.00 0.00 C ATOM 1648 ND1 HIS A 105 11.982 -4.547 -5.149 1.00 0.00 N ATOM 1649 CD2 HIS A 105 10.373 -6.017 -5.095 1.00 0.00 C ATOM 1650 CE1 HIS A 105 10.849 -3.894 -5.338 1.00 0.00 C ATOM 1651 NE2 HIS A 105 9.858 -4.763 -5.309 1.00 0.00 N ATOM 0 H HIS A 105 15.122 -8.483 -6.007 1.00 0.00 H new ATOM 0 HA HIS A 105 12.292 -8.127 -6.449 1.00 0.00 H new ATOM 0 HB2 HIS A 105 12.435 -7.638 -4.024 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.665 -6.430 -4.344 1.00 0.00 H new ATOM 0 HD2 HIS A 105 9.810 -6.936 -5.021 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.751 -2.829 -5.490 1.00 0.00 H new ATOM 0 HE2 HIS A 105 8.870 -4.540 -5.426 1.00 0.00 H new ATOM 1660 N HIS A 106 15.111 -6.520 -6.919 1.00 0.00 N ATOM 1661 CA HIS A 106 15.871 -5.699 -7.846 1.00 0.00 C ATOM 1662 C HIS A 106 16.163 -6.489 -9.123 1.00 0.00 C ATOM 1663 O HIS A 106 17.304 -6.856 -9.401 1.00 0.00 O ATOM 1664 CB HIS A 106 17.167 -5.226 -7.166 1.00 0.00 C ATOM 1665 CG HIS A 106 18.071 -4.397 -8.030 1.00 0.00 C ATOM 1666 ND1 HIS A 106 19.422 -4.633 -8.135 1.00 0.00 N ATOM 1667 CD2 HIS A 106 17.818 -3.323 -8.813 1.00 0.00 C ATOM 1668 CE1 HIS A 106 19.963 -3.746 -8.942 1.00 0.00 C ATOM 1669 NE2 HIS A 106 19.011 -2.937 -9.372 1.00 0.00 N ATOM 0 H HIS A 106 15.672 -6.933 -6.173 1.00 0.00 H new ATOM 0 HA HIS A 106 15.291 -4.819 -8.125 1.00 0.00 H new ATOM 0 HB2 HIS A 106 16.904 -4.647 -6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.719 -6.101 -6.823 1.00 0.00 H new ATOM 0 HD2 HIS A 106 16.857 -2.856 -8.969 1.00 0.00 H new ATOM 0 HE1 HIS A 106 21.008 -3.689 -9.208 1.00 0.00 H new ATOM 0 HE2 HIS A 106 19.141 -2.155 -10.013 1.00 0.00 H new ATOM 1678 N HIS A 107 15.104 -6.782 -9.868 1.00 0.00 N ATOM 1679 CA HIS A 107 15.212 -7.511 -11.125 1.00 0.00 C ATOM 1680 C HIS A 107 13.848 -7.558 -11.804 1.00 0.00 C ATOM 1681 O HIS A 107 12.849 -7.918 -11.185 1.00 0.00 O ATOM 1682 CB HIS A 107 15.731 -8.937 -10.890 1.00 0.00 C ATOM 1683 CG HIS A 107 16.003 -9.696 -12.153 1.00 0.00 C ATOM 1684 ND1 HIS A 107 15.196 -10.714 -12.607 1.00 0.00 N ATOM 1685 CD2 HIS A 107 17.006 -9.584 -13.058 1.00 0.00 C ATOM 1686 CE1 HIS A 107 15.685 -11.197 -13.732 1.00 0.00 C ATOM 1687 NE2 HIS A 107 16.782 -10.530 -14.029 1.00 0.00 N ATOM 0 H HIS A 107 14.150 -6.522 -9.619 1.00 0.00 H new ATOM 0 HA HIS A 107 15.924 -6.993 -11.768 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.647 -8.888 -10.302 1.00 0.00 H new ATOM 0 HB3 HIS A 107 15.000 -9.487 -10.297 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.827 -8.883 -13.022 1.00 0.00 H new ATOM 0 HE1 HIS A 107 15.259 -12.002 -14.312 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.370 -10.690 -14.847 1.00 0.00 H new ATOM 1696 N HIS A 108 13.810 -7.172 -13.066 1.00 0.00 N ATOM 1697 CA HIS A 108 12.580 -7.220 -13.845 1.00 0.00 C ATOM 1698 C HIS A 108 12.839 -7.880 -15.188 1.00 0.00 C ATOM 1699 O HIS A 108 12.531 -9.076 -15.328 1.00 0.00 O ATOM 1700 CB HIS A 108 11.996 -5.817 -14.050 1.00 0.00 C ATOM 1701 CG HIS A 108 11.105 -5.359 -12.932 1.00 0.00 C ATOM 1702 ND1 HIS A 108 10.899 -6.088 -11.779 1.00 0.00 N ATOM 1703 CD2 HIS A 108 10.349 -4.243 -12.807 1.00 0.00 C ATOM 1704 CE1 HIS A 108 10.054 -5.443 -10.998 1.00 0.00 C ATOM 1705 NE2 HIS A 108 9.706 -4.320 -11.596 1.00 0.00 N ATOM 1706 OXT HIS A 108 13.379 -7.202 -16.082 1.00 0.00 O ATOM 0 H HIS A 108 14.619 -6.820 -13.578 1.00 0.00 H new ATOM 0 HA HIS A 108 11.851 -7.810 -13.289 1.00 0.00 H new ATOM 0 HB2 HIS A 108 12.815 -5.106 -14.163 1.00 0.00 H new ATOM 0 HB3 HIS A 108 11.430 -5.802 -14.982 1.00 0.00 H new ATOM 0 HD1 HIS A 108 11.333 -6.986 -11.564 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.267 -3.441 -13.526 1.00 0.00 H new ATOM 0 HE1 HIS A 108 9.706 -5.778 -10.032 1.00 0.00 H new TER 1715 HIS A 108