USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 803 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 2 GLN : amide:sc= 0.649 K(o=1.2,f=-0.38) USER MOD Set 1.2: A 86 THR OG1 : rot 90:sc= 0.58 USER MOD Set 2.1: A 57 SER OG : rot -101:sc= 1.41 USER MOD Set 2.2: A 61 SER OG : rot 3:sc= 1.5 USER MOD Set 3.1: A 41 LYS NZ :NH3+ 156:sc= 1.26 (180deg=0.509) USER MOD Set 3.2: A 78 TYR OH : rot 23:sc= 1.13 USER MOD Set 4.1: A 13 HIS : no HD1:sc= 0 X(o=0.66,f=0.66) USER MOD Set 4.2: A 21 ASN : amide:sc= 0.659 K(o=0.66,f=-3.7!) USER MOD Set 5.1: A 8 GLN : amide:sc= -0.231 X(o=-0.14,f=0.13) USER MOD Set 5.2: A 28 SER OG : rot 180:sc= 0.0882 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -167:sc=-0.00933 (180deg=-0.189) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00138) USER MOD Single : A 10 TYR OH : rot 15:sc=-0.00143 USER MOD Single : A 11 SER OG : rot 179:sc= 1.63 USER MOD Single : A 17 ASN : amide:sc= -0.473 X(o=-0.47,f=0.00024) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 28:sc= 0.097 USER MOD Single : A 24 ASN : amide:sc= -0.0193 X(o=-0.019,f=-0.13) USER MOD Single : A 26 TYR OH : rot 18:sc= 1.01 USER MOD Single : A 31 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-0.45) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00335 USER MOD Single : A 42 ASN : amide:sc= -0.668 X(o=-0.67,f=-0.27) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.14) USER MOD Single : A 51 HIS : no HD1:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 52 SER OG : rot -32:sc= 0.192 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 174:sc=-0.00412 (180deg=-0.0535) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 TYR OH : rot 173:sc= -1.01 USER MOD Single : A 67 TYR OH : rot 55:sc= 0.0243 USER MOD Single : A 68 THR OG1 : rot 73:sc= 0.642 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 44:sc= 0.168 USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0586) USER MOD Single : A 83 ASN : amide:sc= 0.0534 K(o=0.053,f=-1.7) USER MOD Single : A 84 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-6.5!) USER MOD Single : A 88 SER OG : rot -38:sc= 0.417 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 91 LYS NZ :NH3+ 138:sc= 0.223 (180deg=-0.268) USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= -0.0201 (180deg=-0.26) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -6.038 -24.842 -2.378 1.00 0.00 N ATOM 2 CA MET A 0 -5.901 -23.411 -2.698 1.00 0.00 C ATOM 3 C MET A 0 -4.687 -22.811 -1.985 1.00 0.00 C ATOM 4 O MET A 0 -4.508 -23.050 -0.792 1.00 0.00 O ATOM 5 CB MET A 0 -7.166 -22.635 -2.301 1.00 0.00 C ATOM 6 CG MET A 0 -8.416 -23.074 -3.074 1.00 0.00 C ATOM 7 SD MET A 0 -9.921 -22.189 -2.582 1.00 0.00 S ATOM 8 CE MET A 0 -11.081 -22.843 -3.808 1.00 0.00 C ATOM 0 H1 MET A 0 -6.720 -25.280 -3.030 1.00 0.00 H new ATOM 0 H2 MET A 0 -5.115 -25.310 -2.477 1.00 0.00 H new ATOM 0 H3 MET A 0 -6.377 -24.948 -1.400 1.00 0.00 H new ATOM 0 HA MET A 0 -5.760 -23.326 -3.775 1.00 0.00 H new ATOM 0 HB2 MET A 0 -7.343 -22.765 -1.233 1.00 0.00 H new ATOM 0 HB3 MET A 0 -6.999 -21.571 -2.469 1.00 0.00 H new ATOM 0 HG2 MET A 0 -8.246 -22.921 -4.140 1.00 0.00 H new ATOM 0 HG3 MET A 0 -8.568 -24.143 -2.926 1.00 0.00 H new ATOM 0 HE1 MET A 0 -12.065 -22.401 -3.650 1.00 0.00 H new ATOM 0 HE2 MET A 0 -10.729 -22.597 -4.810 1.00 0.00 H new ATOM 0 HE3 MET A 0 -11.149 -23.926 -3.703 1.00 0.00 H new ATOM 20 N ILE A 1 -3.876 -22.029 -2.710 1.00 0.00 N ATOM 21 CA ILE A 1 -2.790 -21.225 -2.156 1.00 0.00 C ATOM 22 C ILE A 1 -3.069 -19.768 -2.544 1.00 0.00 C ATOM 23 O ILE A 1 -2.204 -19.058 -3.054 1.00 0.00 O ATOM 24 CB ILE A 1 -1.403 -21.729 -2.615 1.00 0.00 C ATOM 25 CG1 ILE A 1 -1.237 -23.258 -2.508 1.00 0.00 C ATOM 26 CG2 ILE A 1 -0.303 -21.101 -1.741 1.00 0.00 C ATOM 27 CD1 ILE A 1 -1.730 -24.023 -3.742 1.00 0.00 C ATOM 0 H ILE A 1 -3.963 -21.939 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 1 -2.757 -21.311 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.319 -21.440 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.184 -23.489 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.780 -23.612 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 1 0.672 -21.460 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.340 -20.016 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.461 -21.382 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -1.580 -25.092 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -2.791 -23.823 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -1.170 -23.698 -4.619 1.00 0.00 H new ATOM 39 N GLN A 2 -4.315 -19.338 -2.316 1.00 0.00 N ATOM 40 CA GLN A 2 -4.804 -18.014 -2.666 1.00 0.00 C ATOM 41 C GLN A 2 -4.652 -17.120 -1.434 1.00 0.00 C ATOM 42 O GLN A 2 -5.643 -16.620 -0.903 1.00 0.00 O ATOM 43 CB GLN A 2 -6.264 -18.123 -3.139 1.00 0.00 C ATOM 44 CG GLN A 2 -6.393 -19.011 -4.389 1.00 0.00 C ATOM 45 CD GLN A 2 -7.826 -19.075 -4.913 1.00 0.00 C ATOM 46 OE1 GLN A 2 -8.476 -20.113 -4.821 1.00 0.00 O ATOM 47 NE2 GLN A 2 -8.319 -17.973 -5.481 1.00 0.00 N ATOM 0 H GLN A 2 -5.024 -19.922 -1.871 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.235 -17.574 -3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.877 -18.533 -2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.651 -17.128 -3.358 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.739 -18.628 -5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.050 -20.018 -4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.748 -17.130 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.267 -17.974 -5.858 1.00 0.00 H new ATOM 56 N ARG A 3 -3.410 -16.957 -0.955 1.00 0.00 N ATOM 57 CA ARG A 3 -3.139 -16.268 0.297 1.00 0.00 C ATOM 58 C ARG A 3 -3.562 -14.801 0.164 1.00 0.00 C ATOM 59 O ARG A 3 -3.103 -14.097 -0.735 1.00 0.00 O ATOM 60 CB ARG A 3 -1.666 -16.415 0.705 1.00 0.00 C ATOM 61 CG ARG A 3 -1.295 -17.850 1.105 1.00 0.00 C ATOM 62 CD ARG A 3 0.202 -17.978 1.442 1.00 0.00 C ATOM 63 NE ARG A 3 0.427 -18.748 2.671 1.00 0.00 N ATOM 64 CZ ARG A 3 0.359 -18.257 3.920 1.00 0.00 C ATOM 65 NH1 ARG A 3 0.172 -16.949 4.147 1.00 0.00 N ATOM 66 NH2 ARG A 3 0.466 -19.093 4.959 1.00 0.00 N ATOM 0 H ARG A 3 -2.574 -17.301 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.722 -16.723 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.032 -16.099 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.457 -15.746 1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.889 -18.153 1.967 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.544 -18.531 0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.720 -18.460 0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.634 -16.984 1.553 1.00 0.00 H new ATOM 0 HE ARG A 3 0.654 -19.737 2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.078 -16.304 3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.124 -16.599 5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.598 -20.092 4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.416 -18.732 5.912 1.00 0.00 H new ATOM 80 N THR A 4 -4.476 -14.367 1.038 1.00 0.00 N ATOM 81 CA THR A 4 -5.104 -13.056 0.985 1.00 0.00 C ATOM 82 C THR A 4 -4.131 -11.989 1.509 1.00 0.00 C ATOM 83 O THR A 4 -3.442 -12.239 2.498 1.00 0.00 O ATOM 84 CB THR A 4 -6.382 -13.106 1.837 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.180 -14.199 1.428 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.220 -11.828 1.740 1.00 0.00 C ATOM 0 H THR A 4 -4.803 -14.937 1.818 1.00 0.00 H new ATOM 0 HA THR A 4 -5.361 -12.793 -0.041 1.00 0.00 H new ATOM 0 HB THR A 4 -6.062 -13.213 2.873 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.994 -14.232 1.973 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.108 -11.927 2.364 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.629 -10.978 2.082 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.520 -11.668 0.705 1.00 0.00 H new ATOM 94 N PRO A 5 -4.064 -10.803 0.881 1.00 0.00 N ATOM 95 CA PRO A 5 -3.213 -9.709 1.322 1.00 0.00 C ATOM 96 C PRO A 5 -3.721 -9.096 2.631 1.00 0.00 C ATOM 97 O PRO A 5 -4.768 -8.451 2.655 1.00 0.00 O ATOM 98 CB PRO A 5 -3.219 -8.698 0.169 1.00 0.00 C ATOM 99 CG PRO A 5 -4.550 -8.949 -0.532 1.00 0.00 C ATOM 100 CD PRO A 5 -4.746 -10.452 -0.354 1.00 0.00 C ATOM 0 HA PRO A 5 -2.200 -10.047 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.147 -7.674 0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.377 -8.855 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.360 -8.379 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.513 -8.668 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.805 -10.703 -0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.331 -11.002 -1.199 1.00 0.00 H new ATOM 108 N LYS A 6 -2.952 -9.272 3.713 1.00 0.00 N ATOM 109 CA LYS A 6 -3.132 -8.565 4.967 1.00 0.00 C ATOM 110 C LYS A 6 -2.479 -7.190 4.829 1.00 0.00 C ATOM 111 O LYS A 6 -1.263 -7.093 4.673 1.00 0.00 O ATOM 112 CB LYS A 6 -2.503 -9.363 6.114 1.00 0.00 C ATOM 113 CG LYS A 6 -2.917 -8.726 7.444 1.00 0.00 C ATOM 114 CD LYS A 6 -2.076 -9.261 8.607 1.00 0.00 C ATOM 115 CE LYS A 6 -2.323 -8.447 9.883 1.00 0.00 C ATOM 116 NZ LYS A 6 -3.704 -8.592 10.379 1.00 0.00 N ATOM 0 H LYS A 6 -2.171 -9.928 3.731 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.191 -8.446 5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.831 -10.402 6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.417 -9.367 6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.806 -7.644 7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.971 -8.928 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.321 -10.308 8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.019 -9.221 8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.626 -8.768 10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.118 -7.395 9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.819 -8.038 11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.370 -8.246 9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.898 -9.594 10.577 1.00 0.00 H new ATOM 130 N ILE A 7 -3.299 -6.138 4.869 1.00 0.00 N ATOM 131 CA ILE A 7 -2.889 -4.761 4.644 1.00 0.00 C ATOM 132 C ILE A 7 -2.721 -4.065 5.998 1.00 0.00 C ATOM 133 O ILE A 7 -3.613 -4.170 6.839 1.00 0.00 O ATOM 134 CB ILE A 7 -3.965 -4.080 3.782 1.00 0.00 C ATOM 135 CG1 ILE A 7 -4.205 -4.838 2.459 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.572 -2.630 3.480 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.696 -5.074 2.200 1.00 0.00 C ATOM 0 H ILE A 7 -4.296 -6.229 5.065 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.934 -4.707 4.121 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.893 -4.094 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.778 -4.270 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.686 -5.796 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.345 -2.163 2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.467 -2.079 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.625 -2.614 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.821 -5.610 1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.118 -5.665 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.212 -4.115 2.143 1.00 0.00 H new ATOM 149 N GLN A 8 -1.603 -3.354 6.217 1.00 0.00 N ATOM 150 CA GLN A 8 -1.370 -2.588 7.421 1.00 0.00 C ATOM 151 C GLN A 8 -0.711 -1.253 7.053 1.00 0.00 C ATOM 152 O GLN A 8 0.512 -1.133 7.029 1.00 0.00 O ATOM 153 CB GLN A 8 -0.556 -3.425 8.413 1.00 0.00 C ATOM 154 CG GLN A 8 0.656 -4.183 7.850 1.00 0.00 C ATOM 155 CD GLN A 8 0.321 -5.487 7.128 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.567 -6.227 7.543 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.060 -5.782 6.058 1.00 0.00 N ATOM 0 H GLN A 8 -0.836 -3.304 5.547 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.309 -2.347 7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.205 -2.765 9.206 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.226 -4.151 8.875 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.187 -3.528 7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.340 -4.404 8.669 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.788 -5.138 5.748 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.898 -6.651 5.550 1.00 0.00 H new ATOM 166 N VAL A 9 -1.539 -0.243 6.763 1.00 0.00 N ATOM 167 CA VAL A 9 -1.077 1.077 6.356 1.00 0.00 C ATOM 168 C VAL A 9 -0.654 1.887 7.581 1.00 0.00 C ATOM 169 O VAL A 9 -1.412 1.972 8.546 1.00 0.00 O ATOM 170 CB VAL A 9 -2.170 1.824 5.574 1.00 0.00 C ATOM 171 CG1 VAL A 9 -1.599 3.134 5.013 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.747 0.981 4.429 1.00 0.00 C ATOM 0 H VAL A 9 -2.555 -0.325 6.806 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.216 0.951 5.700 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.984 2.033 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.375 3.662 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.250 3.760 5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.765 2.912 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.515 1.553 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.951 0.722 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.186 0.069 4.834 1.00 0.00 H new ATOM 182 N TYR A 10 0.537 2.497 7.526 1.00 0.00 N ATOM 183 CA TYR A 10 1.051 3.373 8.573 1.00 0.00 C ATOM 184 C TYR A 10 1.153 4.814 8.072 1.00 0.00 C ATOM 185 O TYR A 10 1.228 5.065 6.868 1.00 0.00 O ATOM 186 CB TYR A 10 2.416 2.878 9.063 1.00 0.00 C ATOM 187 CG TYR A 10 2.515 1.375 9.218 1.00 0.00 C ATOM 188 CD1 TYR A 10 1.730 0.717 10.180 1.00 0.00 C ATOM 189 CD2 TYR A 10 3.351 0.631 8.364 1.00 0.00 C ATOM 190 CE1 TYR A 10 1.834 -0.675 10.335 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.474 -0.758 8.536 1.00 0.00 C ATOM 192 CZ TYR A 10 2.742 -1.404 9.549 1.00 0.00 C ATOM 193 OH TYR A 10 2.921 -2.735 9.781 1.00 0.00 O ATOM 0 H TYR A 10 1.176 2.391 6.738 1.00 0.00 H new ATOM 0 HA TYR A 10 0.353 3.351 9.410 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.183 3.211 8.363 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.636 3.346 10.023 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.048 1.281 10.799 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.898 1.128 7.576 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.216 -1.185 11.059 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.128 -1.328 7.893 1.00 0.00 H new ATOM 0 HH TYR A 10 2.192 -3.070 10.344 1.00 0.00 H new ATOM 203 N SER A 11 1.195 5.742 9.033 1.00 0.00 N ATOM 204 CA SER A 11 1.371 7.175 8.839 1.00 0.00 C ATOM 205 C SER A 11 2.532 7.598 9.739 1.00 0.00 C ATOM 206 O SER A 11 2.410 7.506 10.960 1.00 0.00 O ATOM 207 CB SER A 11 0.089 7.949 9.210 1.00 0.00 C ATOM 208 OG SER A 11 -1.042 7.103 9.272 1.00 0.00 O ATOM 0 H SER A 11 1.102 5.495 10.018 1.00 0.00 H new ATOM 0 HA SER A 11 1.580 7.398 7.793 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.228 8.440 10.173 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.086 8.734 8.475 1.00 0.00 H new ATOM 0 HG SER A 11 -1.828 7.627 9.533 1.00 0.00 H new ATOM 214 N ARG A 12 3.657 8.046 9.166 1.00 0.00 N ATOM 215 CA ARG A 12 4.772 8.548 9.968 1.00 0.00 C ATOM 216 C ARG A 12 4.330 9.771 10.770 1.00 0.00 C ATOM 217 O ARG A 12 4.627 9.868 11.960 1.00 0.00 O ATOM 218 CB ARG A 12 5.974 8.883 9.077 1.00 0.00 C ATOM 219 CG ARG A 12 6.700 7.629 8.573 1.00 0.00 C ATOM 220 CD ARG A 12 7.514 6.937 9.674 1.00 0.00 C ATOM 221 NE ARG A 12 8.336 5.855 9.116 1.00 0.00 N ATOM 222 CZ ARG A 12 9.383 5.283 9.736 1.00 0.00 C ATOM 223 NH1 ARG A 12 9.723 5.642 10.983 1.00 0.00 N ATOM 224 NH2 ARG A 12 10.097 4.345 9.099 1.00 0.00 N ATOM 0 H ARG A 12 3.815 8.070 8.159 1.00 0.00 H new ATOM 0 HA ARG A 12 5.081 7.769 10.665 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.637 9.471 8.224 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.674 9.504 9.636 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.969 6.927 8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.364 7.903 7.753 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.154 7.666 10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.841 6.535 10.431 1.00 0.00 H new ATOM 0 HE ARG A 12 8.094 5.511 8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.185 6.357 11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.520 5.200 11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.845 4.069 8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.893 3.907 9.563 1.00 0.00 H new ATOM 238 N HIS A 13 3.593 10.675 10.115 1.00 0.00 N ATOM 239 CA HIS A 13 2.899 11.786 10.743 1.00 0.00 C ATOM 240 C HIS A 13 1.413 11.662 10.405 1.00 0.00 C ATOM 241 O HIS A 13 1.080 11.126 9.346 1.00 0.00 O ATOM 242 CB HIS A 13 3.451 13.103 10.202 1.00 0.00 C ATOM 243 CG HIS A 13 4.938 13.235 10.368 1.00 0.00 C ATOM 244 ND1 HIS A 13 5.515 13.688 11.554 1.00 0.00 N ATOM 245 CD2 HIS A 13 5.927 12.907 9.486 1.00 0.00 C ATOM 246 CE1 HIS A 13 6.831 13.621 11.335 1.00 0.00 C ATOM 247 NE2 HIS A 13 7.132 13.148 10.113 1.00 0.00 N ATOM 0 H HIS A 13 3.464 10.646 9.104 1.00 0.00 H new ATOM 0 HA HIS A 13 3.041 11.768 11.824 1.00 0.00 H new ATOM 0 HB2 HIS A 13 3.201 13.187 9.144 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.960 13.932 10.712 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.791 12.529 8.483 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.574 13.915 12.062 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.064 12.998 9.727 1.00 0.00 H new ATOM 255 N PRO A 14 0.509 12.161 11.263 1.00 0.00 N ATOM 256 CA PRO A 14 -0.927 12.068 11.060 1.00 0.00 C ATOM 257 C PRO A 14 -1.397 13.226 10.168 1.00 0.00 C ATOM 258 O PRO A 14 -2.295 13.976 10.545 1.00 0.00 O ATOM 259 CB PRO A 14 -1.493 12.135 12.479 1.00 0.00 C ATOM 260 CG PRO A 14 -0.555 13.126 13.167 1.00 0.00 C ATOM 261 CD PRO A 14 0.802 12.799 12.538 1.00 0.00 C ATOM 0 HA PRO A 14 -1.255 11.163 10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.526 12.482 12.487 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.481 11.160 12.967 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.849 14.159 12.980 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.544 12.989 14.248 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.394 13.703 12.395 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.381 12.137 13.182 1.00 0.00 H new ATOM 269 N ALA A 15 -0.761 13.360 8.995 1.00 0.00 N ATOM 270 CA ALA A 15 -0.928 14.425 8.012 1.00 0.00 C ATOM 271 C ALA A 15 -0.382 15.770 8.493 1.00 0.00 C ATOM 272 O ALA A 15 -0.691 16.224 9.594 1.00 0.00 O ATOM 273 CB ALA A 15 -2.380 14.564 7.562 1.00 0.00 C ATOM 0 H ALA A 15 -0.068 12.675 8.693 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.332 14.126 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.459 15.368 6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.712 13.629 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.007 14.794 8.423 1.00 0.00 H new ATOM 279 N GLU A 16 0.396 16.413 7.618 1.00 0.00 N ATOM 280 CA GLU A 16 0.907 17.769 7.768 1.00 0.00 C ATOM 281 C GLU A 16 0.935 18.395 6.373 1.00 0.00 C ATOM 282 O GLU A 16 1.743 17.993 5.541 1.00 0.00 O ATOM 283 CB GLU A 16 2.317 17.774 8.383 1.00 0.00 C ATOM 284 CG GLU A 16 2.431 16.981 9.694 1.00 0.00 C ATOM 285 CD GLU A 16 3.799 17.136 10.360 1.00 0.00 C ATOM 286 OE1 GLU A 16 4.734 17.617 9.681 1.00 0.00 O ATOM 287 OE2 GLU A 16 3.886 16.769 11.552 1.00 0.00 O ATOM 0 H GLU A 16 0.698 15.978 6.746 1.00 0.00 H new ATOM 0 HA GLU A 16 0.267 18.337 8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.019 17.361 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.618 18.805 8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.656 17.314 10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.247 15.926 9.493 1.00 0.00 H new ATOM 294 N ASN A 17 0.038 19.345 6.091 1.00 0.00 N ATOM 295 CA ASN A 17 -0.089 19.957 4.777 1.00 0.00 C ATOM 296 C ASN A 17 1.170 20.730 4.374 1.00 0.00 C ATOM 297 O ASN A 17 1.881 21.258 5.228 1.00 0.00 O ATOM 298 CB ASN A 17 -1.337 20.845 4.741 1.00 0.00 C ATOM 299 CG ASN A 17 -1.215 22.081 5.633 1.00 0.00 C ATOM 300 OD1 ASN A 17 -0.909 23.167 5.148 1.00 0.00 O ATOM 301 ND2 ASN A 17 -1.465 21.928 6.935 1.00 0.00 N ATOM 0 H ASN A 17 -0.622 19.709 6.778 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.203 19.163 4.039 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.522 21.161 3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.202 20.260 5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.405 22.729 7.563 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.716 21.010 7.302 1.00 0.00 H new ATOM 308 N GLY A 18 1.443 20.783 3.063 1.00 0.00 N ATOM 309 CA GLY A 18 2.560 21.523 2.492 1.00 0.00 C ATOM 310 C GLY A 18 3.875 20.749 2.598 1.00 0.00 C ATOM 311 O GLY A 18 4.515 20.483 1.583 1.00 0.00 O ATOM 0 H GLY A 18 0.879 20.301 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.352 21.742 1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.660 22.480 3.004 1.00 0.00 H new ATOM 315 N LYS A 19 4.284 20.398 3.823 1.00 0.00 N ATOM 316 CA LYS A 19 5.518 19.668 4.077 1.00 0.00 C ATOM 317 C LYS A 19 5.285 18.169 3.947 1.00 0.00 C ATOM 318 O LYS A 19 4.424 17.594 4.608 1.00 0.00 O ATOM 319 CB LYS A 19 6.063 19.965 5.459 1.00 0.00 C ATOM 320 CG LYS A 19 7.534 19.547 5.522 1.00 0.00 C ATOM 321 CD LYS A 19 8.163 19.895 6.864 1.00 0.00 C ATOM 322 CE LYS A 19 7.597 19.050 8.014 1.00 0.00 C ATOM 323 NZ LYS A 19 8.340 19.263 9.268 1.00 0.00 N ATOM 0 H LYS A 19 3.758 20.618 4.669 1.00 0.00 H new ATOM 0 HA LYS A 19 6.247 19.995 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.965 21.028 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.488 19.428 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.615 18.474 5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.087 20.040 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.241 19.748 6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.997 20.951 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.547 19.301 8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.636 17.995 7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.927 18.675 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.337 19.000 9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.281 20.265 9.540 1.00 0.00 H new ATOM 337 N SER A 20 6.102 17.560 3.099 1.00 0.00 N ATOM 338 CA SER A 20 6.074 16.135 2.795 1.00 0.00 C ATOM 339 C SER A 20 6.194 15.289 4.065 1.00 0.00 C ATOM 340 O SER A 20 7.025 15.583 4.924 1.00 0.00 O ATOM 341 CB SER A 20 7.262 15.806 1.893 1.00 0.00 C ATOM 342 OG SER A 20 8.452 16.361 2.418 1.00 0.00 O ATOM 0 H SER A 20 6.827 18.061 2.586 1.00 0.00 H new ATOM 0 HA SER A 20 5.125 15.908 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.368 14.725 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.084 16.195 0.891 1.00 0.00 H new ATOM 0 HG SER A 20 8.377 16.434 3.392 1.00 0.00 H new ATOM 348 N ASN A 21 5.395 14.225 4.152 1.00 0.00 N ATOM 349 CA ASN A 21 5.383 13.280 5.270 1.00 0.00 C ATOM 350 C ASN A 21 5.930 11.932 4.786 1.00 0.00 C ATOM 351 O ASN A 21 6.858 11.918 3.979 1.00 0.00 O ATOM 352 CB ASN A 21 3.956 13.193 5.821 1.00 0.00 C ATOM 353 CG ASN A 21 3.482 14.552 6.319 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.799 14.947 7.436 1.00 0.00 O ATOM 355 ND2 ASN A 21 2.739 15.273 5.480 1.00 0.00 N ATOM 0 H ASN A 21 4.719 13.990 3.426 1.00 0.00 H new ATOM 0 HA ASN A 21 6.026 13.610 6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.283 12.831 5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.920 12.470 6.636 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.408 16.197 5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.501 14.901 4.561 1.00 0.00 H new ATOM 362 N PHE A 22 5.364 10.802 5.239 1.00 0.00 N ATOM 363 CA PHE A 22 5.622 9.500 4.642 1.00 0.00 C ATOM 364 C PHE A 22 4.485 8.526 4.954 1.00 0.00 C ATOM 365 O PHE A 22 4.192 8.242 6.116 1.00 0.00 O ATOM 366 CB PHE A 22 6.994 8.937 5.043 1.00 0.00 C ATOM 367 CG PHE A 22 7.930 8.697 3.872 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.653 7.670 2.950 1.00 0.00 C ATOM 369 CD2 PHE A 22 9.061 9.514 3.684 1.00 0.00 C ATOM 370 CE1 PHE A 22 8.504 7.463 1.849 1.00 0.00 C ATOM 371 CE2 PHE A 22 9.932 9.279 2.604 1.00 0.00 C ATOM 372 CZ PHE A 22 9.641 8.267 1.674 1.00 0.00 C ATOM 0 H PHE A 22 4.718 10.775 6.028 1.00 0.00 H new ATOM 0 HA PHE A 22 5.656 9.634 3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.469 9.628 5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.848 7.998 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.786 7.040 3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.261 10.323 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.282 6.683 1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.824 9.877 2.490 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.291 8.108 0.826 1.00 0.00 H new ATOM 382 N LEU A 23 3.854 8.037 3.883 1.00 0.00 N ATOM 383 CA LEU A 23 2.765 7.080 3.865 1.00 0.00 C ATOM 384 C LEU A 23 3.358 5.720 3.534 1.00 0.00 C ATOM 385 O LEU A 23 4.197 5.623 2.639 1.00 0.00 O ATOM 386 CB LEU A 23 1.776 7.515 2.779 1.00 0.00 C ATOM 387 CG LEU A 23 0.535 6.640 2.614 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.318 6.683 3.882 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.281 7.215 1.449 1.00 0.00 C ATOM 0 H LEU A 23 4.117 8.326 2.941 1.00 0.00 H new ATOM 0 HA LEU A 23 2.246 7.028 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.452 8.533 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.304 7.546 1.826 1.00 0.00 H new ATOM 0 HG LEU A 23 0.829 5.607 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.199 6.055 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.266 6.316 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.630 7.709 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.178 6.614 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.566 8.242 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.321 7.198 0.540 1.00 0.00 H new ATOM 401 N ASN A 24 2.948 4.684 4.273 1.00 0.00 N ATOM 402 CA ASN A 24 3.561 3.370 4.189 1.00 0.00 C ATOM 403 C ASN A 24 2.478 2.301 4.125 1.00 0.00 C ATOM 404 O ASN A 24 2.069 1.770 5.155 1.00 0.00 O ATOM 405 CB ASN A 24 4.467 3.158 5.399 1.00 0.00 C ATOM 406 CG ASN A 24 5.695 4.066 5.400 1.00 0.00 C ATOM 407 OD1 ASN A 24 6.780 3.649 5.005 1.00 0.00 O ATOM 408 ND2 ASN A 24 5.540 5.308 5.866 1.00 0.00 N ATOM 0 H ASN A 24 2.182 4.741 4.944 1.00 0.00 H new ATOM 0 HA ASN A 24 4.165 3.298 3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.893 3.333 6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.793 2.118 5.423 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.338 5.943 5.902 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.624 5.622 6.186 1.00 0.00 H new ATOM 415 N CYS A 25 2.036 1.973 2.907 1.00 0.00 N ATOM 416 CA CYS A 25 1.014 0.961 2.676 1.00 0.00 C ATOM 417 C CYS A 25 1.690 -0.397 2.598 1.00 0.00 C ATOM 418 O CYS A 25 1.922 -0.918 1.510 1.00 0.00 O ATOM 419 CB CYS A 25 0.194 1.267 1.419 1.00 0.00 C ATOM 420 SG CYS A 25 -0.834 2.748 1.592 1.00 0.00 S ATOM 0 H CYS A 25 2.383 2.408 2.052 1.00 0.00 H new ATOM 0 HA CYS A 25 0.305 0.960 3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.869 1.396 0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.443 0.413 1.190 1.00 0.00 H new ATOM 425 N TYR A 26 2.011 -0.961 3.766 1.00 0.00 N ATOM 426 CA TYR A 26 2.648 -2.258 3.848 1.00 0.00 C ATOM 427 C TYR A 26 1.581 -3.319 3.607 1.00 0.00 C ATOM 428 O TYR A 26 0.548 -3.295 4.274 1.00 0.00 O ATOM 429 CB TYR A 26 3.305 -2.422 5.225 1.00 0.00 C ATOM 430 CG TYR A 26 3.995 -3.755 5.473 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.637 -4.441 4.426 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.990 -4.318 6.762 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.184 -5.714 4.645 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.545 -5.589 6.986 1.00 0.00 C ATOM 435 CZ TYR A 26 5.137 -6.292 5.924 1.00 0.00 C ATOM 436 OH TYR A 26 5.657 -7.537 6.128 1.00 0.00 O ATOM 0 H TYR A 26 1.834 -0.526 4.671 1.00 0.00 H new ATOM 0 HA TYR A 26 3.431 -2.360 3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.037 -1.625 5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.542 -2.281 5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.709 -3.986 3.449 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.557 -3.769 7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.643 -6.251 3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.516 -6.025 7.974 1.00 0.00 H new ATOM 0 HH TYR A 26 6.261 -7.764 5.390 1.00 0.00 H new ATOM 446 N VAL A 27 1.825 -4.236 2.662 1.00 0.00 N ATOM 447 CA VAL A 27 0.938 -5.359 2.393 1.00 0.00 C ATOM 448 C VAL A 27 1.761 -6.625 2.567 1.00 0.00 C ATOM 449 O VAL A 27 2.906 -6.657 2.119 1.00 0.00 O ATOM 450 CB VAL A 27 0.362 -5.298 0.966 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.861 -6.211 0.872 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.068 -3.892 0.562 1.00 0.00 C ATOM 0 H VAL A 27 2.650 -4.213 2.063 1.00 0.00 H new ATOM 0 HA VAL A 27 0.090 -5.335 3.078 1.00 0.00 H new ATOM 0 HB VAL A 27 1.157 -5.618 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.270 -6.169 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.569 -7.235 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.617 -5.880 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.466 -3.911 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.838 -3.536 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.791 -3.223 0.603 1.00 0.00 H new ATOM 462 N SER A 28 1.197 -7.658 3.204 1.00 0.00 N ATOM 463 CA SER A 28 1.911 -8.903 3.429 1.00 0.00 C ATOM 464 C SER A 28 0.976 -10.099 3.605 1.00 0.00 C ATOM 465 O SER A 28 -0.234 -9.975 3.437 1.00 0.00 O ATOM 466 CB SER A 28 2.868 -8.726 4.618 1.00 0.00 C ATOM 467 OG SER A 28 2.132 -8.494 5.800 1.00 0.00 O ATOM 0 H SER A 28 0.245 -7.648 3.571 1.00 0.00 H new ATOM 0 HA SER A 28 2.494 -9.133 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.486 -9.616 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.543 -7.891 4.431 1.00 0.00 H new ATOM 0 HG SER A 28 2.749 -8.384 6.553 1.00 0.00 H new ATOM 473 N GLY A 29 1.548 -11.272 3.909 1.00 0.00 N ATOM 474 CA GLY A 29 0.810 -12.514 4.102 1.00 0.00 C ATOM 475 C GLY A 29 0.476 -13.226 2.789 1.00 0.00 C ATOM 476 O GLY A 29 0.421 -14.455 2.769 1.00 0.00 O ATOM 0 H GLY A 29 2.555 -11.379 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.396 -13.183 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.115 -12.300 4.638 1.00 0.00 H new ATOM 480 N PHE A 30 0.247 -12.475 1.702 1.00 0.00 N ATOM 481 CA PHE A 30 -0.158 -13.016 0.412 1.00 0.00 C ATOM 482 C PHE A 30 0.958 -13.851 -0.227 1.00 0.00 C ATOM 483 O PHE A 30 2.071 -13.910 0.288 1.00 0.00 O ATOM 484 CB PHE A 30 -0.641 -11.882 -0.505 1.00 0.00 C ATOM 485 CG PHE A 30 0.421 -10.866 -0.871 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.288 -11.124 -1.949 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.553 -9.668 -0.140 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.304 -10.218 -2.277 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.577 -8.769 -0.462 1.00 0.00 C ATOM 490 CZ PHE A 30 2.447 -9.048 -1.524 1.00 0.00 C ATOM 0 H PHE A 30 0.342 -11.459 1.702 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.994 -13.699 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.037 -12.319 -1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.466 -11.364 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.169 -12.028 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.132 -9.445 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.970 -10.420 -3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.696 -7.860 0.109 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.237 -8.352 -1.764 1.00 0.00 H new ATOM 500 N HIS A 31 0.639 -14.502 -1.350 1.00 0.00 N ATOM 501 CA HIS A 31 1.527 -15.336 -2.158 1.00 0.00 C ATOM 502 C HIS A 31 0.610 -15.761 -3.316 1.00 0.00 C ATOM 503 O HIS A 31 -0.568 -16.023 -3.066 1.00 0.00 O ATOM 504 CB HIS A 31 2.010 -16.547 -1.333 1.00 0.00 C ATOM 505 CG HIS A 31 2.387 -17.813 -2.072 1.00 0.00 C ATOM 506 ND1 HIS A 31 3.611 -18.441 -1.834 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.702 -18.550 -3.002 1.00 0.00 C ATOM 508 CE1 HIS A 31 3.617 -19.511 -2.635 1.00 0.00 C ATOM 509 NE2 HIS A 31 2.498 -19.613 -3.367 1.00 0.00 N ATOM 0 H HIS A 31 -0.302 -14.457 -1.740 1.00 0.00 H new ATOM 0 HA HIS A 31 2.434 -14.836 -2.498 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.877 -16.230 -0.753 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.224 -16.799 -0.621 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.714 -18.336 -3.381 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.433 -20.216 -2.687 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.280 -20.333 -4.056 1.00 0.00 H new ATOM 517 N PRO A 32 1.086 -15.852 -4.568 1.00 0.00 N ATOM 518 CA PRO A 32 2.476 -15.764 -4.971 1.00 0.00 C ATOM 519 C PRO A 32 2.840 -14.292 -5.247 1.00 0.00 C ATOM 520 O PRO A 32 2.368 -13.397 -4.546 1.00 0.00 O ATOM 521 CB PRO A 32 2.554 -16.693 -6.191 1.00 0.00 C ATOM 522 CG PRO A 32 1.218 -16.429 -6.879 1.00 0.00 C ATOM 523 CD PRO A 32 0.267 -16.283 -5.691 1.00 0.00 C ATOM 0 HA PRO A 32 3.201 -16.076 -4.220 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.399 -16.450 -6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.664 -17.738 -5.901 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.246 -15.528 -7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.928 -17.250 -7.534 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.515 -15.554 -5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.230 -17.228 -5.471 1.00 0.00 H new ATOM 531 N SER A 33 3.694 -14.033 -6.242 1.00 0.00 N ATOM 532 CA SER A 33 4.435 -12.790 -6.376 1.00 0.00 C ATOM 533 C SER A 33 3.658 -11.632 -7.000 1.00 0.00 C ATOM 534 O SER A 33 3.874 -10.486 -6.608 1.00 0.00 O ATOM 535 CB SER A 33 5.716 -13.084 -7.160 1.00 0.00 C ATOM 536 OG SER A 33 5.401 -13.595 -8.441 1.00 0.00 O ATOM 0 H SER A 33 3.888 -14.700 -6.989 1.00 0.00 H new ATOM 0 HA SER A 33 4.656 -12.438 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.307 -12.173 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.328 -13.803 -6.615 1.00 0.00 H new ATOM 0 HG SER A 33 6.229 -13.777 -8.933 1.00 0.00 H new ATOM 542 N ASP A 34 2.811 -11.903 -7.998 1.00 0.00 N ATOM 543 CA ASP A 34 2.246 -10.857 -8.838 1.00 0.00 C ATOM 544 C ASP A 34 1.164 -10.063 -8.101 1.00 0.00 C ATOM 545 O ASP A 34 0.030 -10.521 -7.982 1.00 0.00 O ATOM 546 CB ASP A 34 1.723 -11.470 -10.142 1.00 0.00 C ATOM 547 CG ASP A 34 1.003 -10.433 -11.003 1.00 0.00 C ATOM 548 OD1 ASP A 34 1.582 -9.337 -11.175 1.00 0.00 O ATOM 549 OD2 ASP A 34 -0.112 -10.751 -11.467 1.00 0.00 O ATOM 0 H ASP A 34 2.504 -12.845 -8.240 1.00 0.00 H new ATOM 0 HA ASP A 34 3.031 -10.143 -9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.555 -11.896 -10.704 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.041 -12.289 -9.912 1.00 0.00 H new ATOM 554 N ILE A 35 1.521 -8.867 -7.617 1.00 0.00 N ATOM 555 CA ILE A 35 0.599 -7.913 -7.012 1.00 0.00 C ATOM 556 C ILE A 35 0.856 -6.503 -7.536 1.00 0.00 C ATOM 557 O ILE A 35 1.987 -6.152 -7.870 1.00 0.00 O ATOM 558 CB ILE A 35 0.683 -7.987 -5.477 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.301 -7.046 -4.763 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.082 -7.680 -4.967 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.461 -7.396 -3.281 1.00 0.00 C ATOM 0 H ILE A 35 2.484 -8.533 -7.638 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.420 -8.177 -7.297 1.00 0.00 H new ATOM 0 HB ILE A 35 0.414 -9.017 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.049 -6.018 -4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.273 -7.098 -5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.095 -7.744 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.787 -8.401 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.369 -6.675 -5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.165 -6.705 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.837 -8.415 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.505 -7.318 -2.782 1.00 0.00 H new ATOM 573 N GLU A 36 -0.214 -5.705 -7.577 1.00 0.00 N ATOM 574 CA GLU A 36 -0.224 -4.321 -8.017 1.00 0.00 C ATOM 575 C GLU A 36 -0.717 -3.424 -6.885 1.00 0.00 C ATOM 576 O GLU A 36 -1.753 -3.716 -6.284 1.00 0.00 O ATOM 577 CB GLU A 36 -1.150 -4.143 -9.217 1.00 0.00 C ATOM 578 CG GLU A 36 -1.092 -5.292 -10.220 1.00 0.00 C ATOM 579 CD GLU A 36 -1.933 -4.952 -11.451 1.00 0.00 C ATOM 580 OE1 GLU A 36 -1.637 -3.911 -12.078 1.00 0.00 O ATOM 581 OE2 GLU A 36 -2.913 -5.685 -11.704 1.00 0.00 O ATOM 0 H GLU A 36 -1.137 -6.029 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 36 0.792 -4.047 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.174 -4.037 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.893 -3.215 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.059 -5.477 -10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.461 -6.208 -9.759 1.00 0.00 H new ATOM 588 N VAL A 37 0.010 -2.333 -6.615 1.00 0.00 N ATOM 589 CA VAL A 37 -0.322 -1.356 -5.586 1.00 0.00 C ATOM 590 C VAL A 37 0.045 0.030 -6.108 1.00 0.00 C ATOM 591 O VAL A 37 1.164 0.497 -5.908 1.00 0.00 O ATOM 592 CB VAL A 37 0.392 -1.716 -4.265 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.139 -0.740 -3.108 1.00 0.00 C ATOM 594 CG2 VAL A 37 -0.063 -3.104 -3.805 1.00 0.00 C ATOM 0 H VAL A 37 0.865 -2.105 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.389 -1.361 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 37 1.457 -1.673 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.681 -1.075 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.484 0.255 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.928 -0.705 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.439 -3.361 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.141 -3.099 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.189 -3.841 -4.568 1.00 0.00 H new ATOM 604 N ASP A 38 -0.912 0.680 -6.781 1.00 0.00 N ATOM 605 CA ASP A 38 -0.818 2.072 -7.189 1.00 0.00 C ATOM 606 C ASP A 38 -1.245 2.956 -6.020 1.00 0.00 C ATOM 607 O ASP A 38 -2.354 2.806 -5.504 1.00 0.00 O ATOM 608 CB ASP A 38 -1.712 2.345 -8.406 1.00 0.00 C ATOM 609 CG ASP A 38 -1.388 1.433 -9.583 1.00 0.00 C ATOM 610 OD1 ASP A 38 -0.284 1.599 -10.145 1.00 0.00 O ATOM 611 OD2 ASP A 38 -2.257 0.600 -9.918 1.00 0.00 O ATOM 0 H ASP A 38 -1.788 0.237 -7.059 1.00 0.00 H new ATOM 0 HA ASP A 38 0.211 2.295 -7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.756 2.211 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.595 3.384 -8.713 1.00 0.00 H new ATOM 616 N LEU A 39 -0.370 3.885 -5.617 1.00 0.00 N ATOM 617 CA LEU A 39 -0.679 4.902 -4.632 1.00 0.00 C ATOM 618 C LEU A 39 -1.270 6.096 -5.377 1.00 0.00 C ATOM 619 O LEU A 39 -0.781 6.469 -6.443 1.00 0.00 O ATOM 620 CB LEU A 39 0.564 5.262 -3.815 1.00 0.00 C ATOM 621 CG LEU A 39 0.998 4.091 -2.917 1.00 0.00 C ATOM 622 CD1 LEU A 39 1.810 3.019 -3.649 1.00 0.00 C ATOM 623 CD2 LEU A 39 1.806 4.635 -1.738 1.00 0.00 C ATOM 0 H LEU A 39 0.583 3.943 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.409 4.541 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.379 5.530 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.357 6.138 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 39 0.086 3.601 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.080 2.227 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.213 2.601 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.716 3.465 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.116 3.809 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.688 5.156 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.191 5.328 -1.164 1.00 0.00 H new ATOM 635 N LEU A 40 -2.389 6.610 -4.858 1.00 0.00 N ATOM 636 CA LEU A 40 -3.401 7.256 -5.677 1.00 0.00 C ATOM 637 C LEU A 40 -4.139 8.282 -4.819 1.00 0.00 C ATOM 638 O LEU A 40 -4.757 7.898 -3.828 1.00 0.00 O ATOM 639 CB LEU A 40 -4.339 6.144 -6.178 1.00 0.00 C ATOM 640 CG LEU A 40 -5.101 6.428 -7.480 1.00 0.00 C ATOM 641 CD1 LEU A 40 -5.966 7.687 -7.402 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.143 6.517 -8.669 1.00 0.00 C ATOM 0 H LEU A 40 -2.612 6.587 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.978 7.785 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.750 5.238 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.067 5.933 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.776 5.585 -7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.480 7.835 -8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.701 7.574 -6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.334 8.550 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.709 6.719 -9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.428 7.322 -8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.608 5.573 -8.777 1.00 0.00 H new ATOM 654 N LYS A 41 -4.070 9.575 -5.167 1.00 0.00 N ATOM 655 CA LYS A 41 -4.750 10.611 -4.398 1.00 0.00 C ATOM 656 C LYS A 41 -6.236 10.711 -4.768 1.00 0.00 C ATOM 657 O LYS A 41 -6.909 9.699 -4.947 1.00 0.00 O ATOM 658 CB LYS A 41 -4.000 11.939 -4.541 1.00 0.00 C ATOM 659 CG LYS A 41 -2.548 11.823 -4.091 1.00 0.00 C ATOM 660 CD LYS A 41 -1.589 12.275 -5.193 1.00 0.00 C ATOM 661 CE LYS A 41 -1.716 13.769 -5.519 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.567 14.626 -4.327 1.00 0.00 N ATOM 0 H LYS A 41 -3.551 9.921 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.735 10.339 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.033 12.264 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.503 12.705 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.392 12.429 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.331 10.790 -3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.565 12.061 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.780 11.694 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.959 14.042 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.687 13.956 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.257 15.575 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.480 14.696 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.859 14.212 -3.688 1.00 0.00 H new ATOM 676 N ASN A 42 -6.741 11.943 -4.891 1.00 0.00 N ATOM 677 CA ASN A 42 -8.071 12.257 -5.395 1.00 0.00 C ATOM 678 C ASN A 42 -8.265 11.701 -6.811 1.00 0.00 C ATOM 679 O ASN A 42 -9.318 11.146 -7.117 1.00 0.00 O ATOM 680 CB ASN A 42 -8.310 13.776 -5.337 1.00 0.00 C ATOM 681 CG ASN A 42 -7.531 14.547 -6.409 1.00 0.00 C ATOM 682 OD1 ASN A 42 -8.118 15.008 -7.385 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.210 14.671 -6.256 1.00 0.00 N ATOM 0 H ASN A 42 -6.211 12.775 -4.631 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.814 11.775 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.375 13.975 -5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.025 14.146 -4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.659 15.160 -6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.753 14.277 -5.434 1.00 0.00 H new ATOM 690 N GLY A 43 -7.243 11.834 -7.664 1.00 0.00 N ATOM 691 CA GLY A 43 -7.257 11.309 -9.019 1.00 0.00 C ATOM 692 C GLY A 43 -5.917 11.543 -9.712 1.00 0.00 C ATOM 693 O GLY A 43 -5.890 11.874 -10.895 1.00 0.00 O ATOM 0 H GLY A 43 -6.377 12.316 -7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.477 10.242 -8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.053 11.787 -9.589 1.00 0.00 H new ATOM 697 N GLU A 44 -4.813 11.358 -8.976 1.00 0.00 N ATOM 698 CA GLU A 44 -3.456 11.433 -9.497 1.00 0.00 C ATOM 699 C GLU A 44 -2.658 10.244 -8.964 1.00 0.00 C ATOM 700 O GLU A 44 -2.705 9.960 -7.767 1.00 0.00 O ATOM 701 CB GLU A 44 -2.836 12.768 -9.079 1.00 0.00 C ATOM 702 CG GLU A 44 -1.403 12.934 -9.602 1.00 0.00 C ATOM 703 CD GLU A 44 -0.838 14.304 -9.238 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.525 15.304 -9.539 1.00 0.00 O ATOM 705 OE2 GLU A 44 0.267 14.328 -8.653 1.00 0.00 O ATOM 0 H GLU A 44 -4.848 11.147 -7.979 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.451 11.385 -10.586 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.453 13.585 -9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.834 12.840 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.768 12.153 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.391 12.809 -10.685 1.00 0.00 H new ATOM 712 N ARG A 45 -1.942 9.553 -9.861 1.00 0.00 N ATOM 713 CA ARG A 45 -1.143 8.377 -9.550 1.00 0.00 C ATOM 714 C ARG A 45 0.305 8.780 -9.298 1.00 0.00 C ATOM 715 O ARG A 45 0.869 9.596 -10.025 1.00 0.00 O ATOM 716 CB ARG A 45 -1.276 7.356 -10.685 1.00 0.00 C ATOM 717 CG ARG A 45 -0.570 6.038 -10.336 1.00 0.00 C ATOM 718 CD ARG A 45 -0.948 4.927 -11.321 1.00 0.00 C ATOM 719 NE ARG A 45 -2.361 4.549 -11.174 1.00 0.00 N ATOM 720 CZ ARG A 45 -2.939 3.458 -11.701 1.00 0.00 C ATOM 721 NH1 ARG A 45 -2.237 2.599 -12.453 1.00 0.00 N ATOM 722 NH2 ARG A 45 -4.237 3.225 -11.465 1.00 0.00 N ATOM 0 H ARG A 45 -1.907 9.810 -10.848 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.507 7.907 -8.637 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.331 7.165 -10.883 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.850 7.768 -11.600 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.510 6.187 -10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.838 5.736 -9.324 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.762 5.262 -12.341 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.315 4.056 -11.152 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.954 5.170 -10.623 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.247 2.769 -12.633 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.692 1.775 -12.846 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.775 3.873 -10.890 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.687 2.399 -11.860 1.00 0.00 H new ATOM 736 N ILE A 46 0.885 8.218 -8.235 1.00 0.00 N ATOM 737 CA ILE A 46 2.136 8.623 -7.657 1.00 0.00 C ATOM 738 C ILE A 46 3.235 7.727 -8.222 1.00 0.00 C ATOM 739 O ILE A 46 3.184 6.508 -8.068 1.00 0.00 O ATOM 740 CB ILE A 46 1.961 8.488 -6.141 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.872 9.464 -5.652 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.292 8.765 -5.463 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.498 9.246 -4.187 1.00 0.00 C ATOM 0 H ILE A 46 0.462 7.432 -7.742 1.00 0.00 H new ATOM 0 HA ILE A 46 2.420 9.649 -7.890 1.00 0.00 H new ATOM 0 HB ILE A 46 1.643 7.477 -5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.222 10.488 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.018 9.348 -6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.177 8.671 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.035 8.048 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.621 9.775 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.272 9.961 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.120 8.232 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.379 9.389 -3.561 1.00 0.00 H new ATOM 755 N GLU A 47 4.220 8.350 -8.878 1.00 0.00 N ATOM 756 CA GLU A 47 5.342 7.666 -9.502 1.00 0.00 C ATOM 757 C GLU A 47 6.450 7.394 -8.480 1.00 0.00 C ATOM 758 O GLU A 47 7.007 6.297 -8.467 1.00 0.00 O ATOM 759 CB GLU A 47 5.881 8.484 -10.683 1.00 0.00 C ATOM 760 CG GLU A 47 4.820 8.712 -11.767 1.00 0.00 C ATOM 761 CD GLU A 47 5.446 9.292 -13.031 1.00 0.00 C ATOM 762 OE1 GLU A 47 5.759 10.503 -13.006 1.00 0.00 O ATOM 763 OE2 GLU A 47 5.613 8.513 -13.995 1.00 0.00 O ATOM 0 H GLU A 47 4.254 9.363 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 47 4.990 6.707 -9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.240 9.447 -10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.737 7.968 -11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.326 7.769 -12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.053 9.390 -11.393 1.00 0.00 H new ATOM 770 N LYS A 48 6.777 8.382 -7.632 1.00 0.00 N ATOM 771 CA LYS A 48 7.849 8.270 -6.648 1.00 0.00 C ATOM 772 C LYS A 48 7.352 7.475 -5.440 1.00 0.00 C ATOM 773 O LYS A 48 7.051 8.037 -4.386 1.00 0.00 O ATOM 774 CB LYS A 48 8.388 9.665 -6.277 1.00 0.00 C ATOM 775 CG LYS A 48 9.805 9.659 -5.665 1.00 0.00 C ATOM 776 CD LYS A 48 9.887 9.053 -4.254 1.00 0.00 C ATOM 777 CE LYS A 48 11.303 9.072 -3.660 1.00 0.00 C ATOM 778 NZ LYS A 48 11.772 10.435 -3.360 1.00 0.00 N ATOM 0 H LYS A 48 6.299 9.283 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 48 8.691 7.722 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.394 10.288 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.702 10.130 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.470 9.102 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.176 10.683 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.217 9.601 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.530 8.024 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.318 8.477 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.993 8.600 -4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.671 10.386 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.914 10.957 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.062 10.927 -2.780 1.00 0.00 H new ATOM 792 N VAL A 49 7.298 6.151 -5.603 1.00 0.00 N ATOM 793 CA VAL A 49 7.035 5.200 -4.539 1.00 0.00 C ATOM 794 C VAL A 49 8.317 4.392 -4.347 1.00 0.00 C ATOM 795 O VAL A 49 8.720 3.652 -5.243 1.00 0.00 O ATOM 796 CB VAL A 49 5.857 4.279 -4.904 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.367 3.567 -3.634 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.695 5.042 -5.554 1.00 0.00 C ATOM 0 H VAL A 49 7.441 5.705 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 49 6.757 5.714 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 49 6.213 3.555 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.532 2.912 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.179 2.975 -3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.041 4.308 -2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.890 4.346 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.326 5.801 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.042 5.522 -6.469 1.00 0.00 H new ATOM 808 N GLU A 50 8.961 4.536 -3.188 1.00 0.00 N ATOM 809 CA GLU A 50 10.124 3.747 -2.822 1.00 0.00 C ATOM 810 C GLU A 50 9.631 2.387 -2.329 1.00 0.00 C ATOM 811 O GLU A 50 8.767 2.332 -1.457 1.00 0.00 O ATOM 812 CB GLU A 50 10.941 4.506 -1.773 1.00 0.00 C ATOM 813 CG GLU A 50 12.304 3.853 -1.528 1.00 0.00 C ATOM 814 CD GLU A 50 13.163 4.676 -0.570 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.260 5.902 -0.797 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.714 4.067 0.371 1.00 0.00 O ATOM 0 H GLU A 50 8.683 5.211 -2.475 1.00 0.00 H new ATOM 0 HA GLU A 50 10.787 3.579 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.085 5.535 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.384 4.545 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.160 2.853 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.827 3.737 -2.477 1.00 0.00 H new ATOM 823 N HIS A 51 10.128 1.300 -2.930 1.00 0.00 N ATOM 824 CA HIS A 51 9.679 -0.060 -2.658 1.00 0.00 C ATOM 825 C HIS A 51 10.720 -0.825 -1.842 1.00 0.00 C ATOM 826 O HIS A 51 11.897 -0.474 -1.821 1.00 0.00 O ATOM 827 CB HIS A 51 9.394 -0.803 -3.972 1.00 0.00 C ATOM 828 CG HIS A 51 8.154 -0.376 -4.718 1.00 0.00 C ATOM 829 ND1 HIS A 51 7.669 -1.125 -5.792 1.00 0.00 N ATOM 830 CD2 HIS A 51 7.326 0.696 -4.526 1.00 0.00 C ATOM 831 CE1 HIS A 51 6.590 -0.462 -6.216 1.00 0.00 C ATOM 832 NE2 HIS A 51 6.346 0.644 -5.496 1.00 0.00 N ATOM 0 H HIS A 51 10.867 1.347 -3.631 1.00 0.00 H new ATOM 0 HA HIS A 51 8.759 -0.001 -2.077 1.00 0.00 H new ATOM 0 HB2 HIS A 51 10.252 -0.676 -4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.314 -1.868 -3.754 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.422 1.447 -3.755 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.980 -0.781 -7.048 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.588 1.312 -5.637 1.00 0.00 H new ATOM 840 N SER A 52 10.265 -1.898 -1.184 1.00 0.00 N ATOM 841 CA SER A 52 11.120 -2.877 -0.518 1.00 0.00 C ATOM 842 C SER A 52 11.744 -3.876 -1.506 1.00 0.00 C ATOM 843 O SER A 52 12.677 -4.585 -1.134 1.00 0.00 O ATOM 844 CB SER A 52 10.297 -3.629 0.528 1.00 0.00 C ATOM 845 OG SER A 52 11.119 -4.448 1.331 1.00 0.00 O ATOM 0 H SER A 52 9.271 -2.111 -1.100 1.00 0.00 H new ATOM 0 HA SER A 52 11.941 -2.338 -0.044 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.764 -2.916 1.157 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.544 -4.241 0.031 1.00 0.00 H new ATOM 0 HG SER A 52 11.876 -4.773 0.800 1.00 0.00 H new ATOM 851 N ASP A 53 11.207 -3.961 -2.732 1.00 0.00 N ATOM 852 CA ASP A 53 11.665 -4.837 -3.808 1.00 0.00 C ATOM 853 C ASP A 53 11.588 -6.321 -3.429 1.00 0.00 C ATOM 854 O ASP A 53 12.479 -7.102 -3.757 1.00 0.00 O ATOM 855 CB ASP A 53 13.054 -4.401 -4.298 1.00 0.00 C ATOM 856 CG ASP A 53 13.076 -2.937 -4.739 1.00 0.00 C ATOM 857 OD1 ASP A 53 12.129 -2.539 -5.452 1.00 0.00 O ATOM 858 OD2 ASP A 53 14.040 -2.240 -4.355 1.00 0.00 O ATOM 0 H ASP A 53 10.406 -3.393 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 53 10.980 -4.730 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.782 -4.550 -3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.359 -5.034 -5.131 1.00 0.00 H new ATOM 863 N LEU A 54 10.482 -6.698 -2.776 1.00 0.00 N ATOM 864 CA LEU A 54 10.106 -8.058 -2.408 1.00 0.00 C ATOM 865 C LEU A 54 11.006 -8.649 -1.319 1.00 0.00 C ATOM 866 O LEU A 54 12.173 -8.959 -1.554 1.00 0.00 O ATOM 867 CB LEU A 54 9.960 -8.977 -3.635 1.00 0.00 C ATOM 868 CG LEU A 54 8.883 -10.072 -3.465 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.043 -10.914 -2.197 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.465 -9.492 -3.560 1.00 0.00 C ATOM 0 H LEU A 54 9.787 -6.015 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 54 9.114 -7.992 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.714 -8.369 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.920 -9.452 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 54 9.039 -10.754 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.249 -11.659 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.011 -11.416 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.984 -10.268 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.735 -10.292 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.323 -8.747 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.328 -9.024 -4.535 1.00 0.00 H new ATOM 882 N SER A 55 10.417 -8.857 -0.138 1.00 0.00 N ATOM 883 CA SER A 55 10.958 -9.667 0.938 1.00 0.00 C ATOM 884 C SER A 55 9.878 -10.673 1.312 1.00 0.00 C ATOM 885 O SER A 55 8.890 -10.310 1.939 1.00 0.00 O ATOM 886 CB SER A 55 11.310 -8.766 2.126 1.00 0.00 C ATOM 887 OG SER A 55 11.793 -9.541 3.204 1.00 0.00 O ATOM 0 H SER A 55 9.514 -8.445 0.096 1.00 0.00 H new ATOM 0 HA SER A 55 11.869 -10.186 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.063 -8.037 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.430 -8.205 2.439 1.00 0.00 H new ATOM 0 HG SER A 55 12.016 -8.953 3.956 1.00 0.00 H new ATOM 893 N PHE A 56 10.043 -11.937 0.919 1.00 0.00 N ATOM 894 CA PHE A 56 9.051 -12.972 1.185 1.00 0.00 C ATOM 895 C PHE A 56 9.209 -13.607 2.571 1.00 0.00 C ATOM 896 O PHE A 56 8.489 -14.553 2.882 1.00 0.00 O ATOM 897 CB PHE A 56 9.071 -14.011 0.051 1.00 0.00 C ATOM 898 CG PHE A 56 10.209 -15.008 0.095 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.511 -14.616 -0.266 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.969 -16.320 0.544 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.587 -15.502 -0.080 1.00 0.00 C ATOM 902 CE2 PHE A 56 11.043 -17.213 0.714 1.00 0.00 C ATOM 903 CZ PHE A 56 12.351 -16.805 0.393 1.00 0.00 C ATOM 0 H PHE A 56 10.863 -12.268 0.411 1.00 0.00 H new ATOM 0 HA PHE A 56 8.067 -12.503 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.130 -14.561 0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.112 -13.482 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.684 -13.636 -0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.960 -16.641 0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.595 -15.182 -0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.864 -18.209 1.090 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.175 -17.494 0.510 1.00 0.00 H new ATOM 913 N SER A 57 10.149 -13.093 3.382 1.00 0.00 N ATOM 914 CA SER A 57 10.669 -13.697 4.603 1.00 0.00 C ATOM 915 C SER A 57 11.207 -15.102 4.325 1.00 0.00 C ATOM 916 O SER A 57 11.263 -15.540 3.180 1.00 0.00 O ATOM 917 CB SER A 57 9.649 -13.677 5.751 1.00 0.00 C ATOM 918 OG SER A 57 8.659 -14.669 5.608 1.00 0.00 O ATOM 0 H SER A 57 10.586 -12.193 3.184 1.00 0.00 H new ATOM 0 HA SER A 57 11.504 -13.084 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.169 -13.821 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.174 -12.697 5.794 1.00 0.00 H new ATOM 0 HG SER A 57 7.836 -14.263 5.264 1.00 0.00 H new ATOM 924 N LYS A 58 11.586 -15.827 5.378 1.00 0.00 N ATOM 925 CA LYS A 58 11.855 -17.254 5.293 1.00 0.00 C ATOM 926 C LYS A 58 10.635 -18.068 5.717 1.00 0.00 C ATOM 927 O LYS A 58 10.652 -19.292 5.610 1.00 0.00 O ATOM 928 CB LYS A 58 13.105 -17.576 6.118 1.00 0.00 C ATOM 929 CG LYS A 58 14.325 -16.886 5.481 1.00 0.00 C ATOM 930 CD LYS A 58 15.555 -16.939 6.399 1.00 0.00 C ATOM 931 CE LYS A 58 16.078 -18.356 6.671 1.00 0.00 C ATOM 932 NZ LYS A 58 16.460 -19.063 5.435 1.00 0.00 N ATOM 0 H LYS A 58 11.714 -15.437 6.312 1.00 0.00 H new ATOM 0 HA LYS A 58 12.054 -17.535 4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.975 -17.235 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.261 -18.654 6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.559 -17.367 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.081 -15.847 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.354 -16.349 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.305 -16.468 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.940 -18.300 7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.311 -18.929 7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.900 -19.973 5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.613 -19.232 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.137 -18.483 4.899 1.00 0.00 H new ATOM 946 N ASP A 59 9.573 -17.394 6.181 1.00 0.00 N ATOM 947 CA ASP A 59 8.432 -18.027 6.812 1.00 0.00 C ATOM 948 C ASP A 59 7.301 -18.268 5.807 1.00 0.00 C ATOM 949 O ASP A 59 6.129 -18.105 6.142 1.00 0.00 O ATOM 950 CB ASP A 59 7.977 -17.151 7.987 1.00 0.00 C ATOM 951 CG ASP A 59 9.125 -16.858 8.951 1.00 0.00 C ATOM 952 OD1 ASP A 59 9.301 -17.667 9.887 1.00 0.00 O ATOM 953 OD2 ASP A 59 9.816 -15.839 8.724 1.00 0.00 O ATOM 0 H ASP A 59 9.492 -16.379 6.122 1.00 0.00 H new ATOM 0 HA ASP A 59 8.718 -19.009 7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.573 -16.213 7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.170 -17.651 8.523 1.00 0.00 H new ATOM 958 N TRP A 60 7.664 -18.674 4.581 1.00 0.00 N ATOM 959 CA TRP A 60 6.771 -18.998 3.473 1.00 0.00 C ATOM 960 C TRP A 60 5.570 -18.048 3.334 1.00 0.00 C ATOM 961 O TRP A 60 4.441 -18.486 3.116 1.00 0.00 O ATOM 962 CB TRP A 60 6.449 -20.494 3.466 1.00 0.00 C ATOM 963 CG TRP A 60 5.608 -21.016 4.580 1.00 0.00 C ATOM 964 CD1 TRP A 60 6.028 -21.293 5.831 1.00 0.00 C ATOM 965 CD2 TRP A 60 4.205 -21.378 4.539 1.00 0.00 C ATOM 966 NE1 TRP A 60 4.975 -21.784 6.580 1.00 0.00 N ATOM 967 CE2 TRP A 60 3.821 -21.861 5.823 1.00 0.00 C ATOM 968 CE3 TRP A 60 3.222 -21.346 3.532 1.00 0.00 C ATOM 969 CZ2 TRP A 60 2.512 -22.287 6.095 1.00 0.00 C ATOM 970 CZ3 TRP A 60 1.917 -21.807 3.782 1.00 0.00 C ATOM 971 CH2 TRP A 60 1.556 -22.262 5.064 1.00 0.00 C ATOM 0 H TRP A 60 8.645 -18.790 4.328 1.00 0.00 H new ATOM 0 HA TRP A 60 7.303 -18.805 2.542 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.948 -20.727 2.527 1.00 0.00 H new ATOM 0 HB3 TRP A 60 7.391 -21.042 3.469 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.036 -21.152 6.193 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.041 -22.054 7.561 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.473 -20.962 2.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 2.242 -22.630 7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 1.188 -21.812 2.986 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.546 -22.592 5.256 1.00 0.00 H new ATOM 982 N SER A 61 5.839 -16.738 3.414 1.00 0.00 N ATOM 983 CA SER A 61 4.907 -15.667 3.079 1.00 0.00 C ATOM 984 C SER A 61 5.345 -15.049 1.743 1.00 0.00 C ATOM 985 O SER A 61 6.123 -15.663 1.017 1.00 0.00 O ATOM 986 CB SER A 61 4.895 -14.652 4.230 1.00 0.00 C ATOM 987 OG SER A 61 6.176 -14.088 4.416 1.00 0.00 O ATOM 0 H SER A 61 6.745 -16.389 3.725 1.00 0.00 H new ATOM 0 HA SER A 61 3.888 -16.034 2.957 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.173 -13.863 4.018 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.571 -15.141 5.149 1.00 0.00 H new ATOM 0 HG SER A 61 6.788 -14.433 3.733 1.00 0.00 H new ATOM 993 N PHE A 62 4.876 -13.837 1.421 1.00 0.00 N ATOM 994 CA PHE A 62 5.302 -13.077 0.252 1.00 0.00 C ATOM 995 C PHE A 62 4.830 -11.642 0.475 1.00 0.00 C ATOM 996 O PHE A 62 3.638 -11.446 0.715 1.00 0.00 O ATOM 997 CB PHE A 62 4.715 -13.671 -1.039 1.00 0.00 C ATOM 998 CG PHE A 62 5.728 -13.827 -2.151 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.556 -14.962 -2.176 1.00 0.00 C ATOM 1000 CD2 PHE A 62 5.915 -12.812 -3.104 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.577 -15.083 -3.127 1.00 0.00 C ATOM 1002 CE2 PHE A 62 6.917 -12.952 -4.079 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.769 -14.068 -4.074 1.00 0.00 C ATOM 0 H PHE A 62 4.175 -13.352 1.981 1.00 0.00 H new ATOM 0 HA PHE A 62 6.385 -13.112 0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.281 -14.645 -0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.903 -13.032 -1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.403 -15.750 -1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.293 -11.930 -3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.214 -15.955 -3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.033 -12.194 -4.840 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.568 -14.144 -4.796 1.00 0.00 H new ATOM 1013 N TYR A 63 5.730 -10.648 0.464 1.00 0.00 N ATOM 1014 CA TYR A 63 5.302 -9.291 0.791 1.00 0.00 C ATOM 1015 C TYR A 63 6.314 -8.255 0.318 1.00 0.00 C ATOM 1016 O TYR A 63 7.412 -8.593 -0.118 1.00 0.00 O ATOM 1017 CB TYR A 63 5.134 -9.117 2.299 1.00 0.00 C ATOM 1018 CG TYR A 63 6.307 -9.461 3.172 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.266 -8.466 3.433 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.314 -10.657 3.905 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.236 -8.663 4.423 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.260 -10.838 4.922 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.219 -9.841 5.189 1.00 0.00 C ATOM 1024 OH TYR A 63 9.121 -10.005 6.199 1.00 0.00 O ATOM 0 H TYR A 63 6.720 -10.755 0.241 1.00 0.00 H new ATOM 0 HA TYR A 63 4.350 -9.139 0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.866 -8.078 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.288 -9.728 2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.254 -7.546 2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.595 -11.433 3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.994 -7.913 4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.254 -11.747 5.505 1.00 0.00 H new ATOM 0 HH TYR A 63 8.834 -10.742 6.777 1.00 0.00 H new ATOM 1034 N LEU A 64 5.935 -6.982 0.466 1.00 0.00 N ATOM 1035 CA LEU A 64 6.752 -5.828 0.133 1.00 0.00 C ATOM 1036 C LEU A 64 6.097 -4.591 0.740 1.00 0.00 C ATOM 1037 O LEU A 64 4.887 -4.563 0.958 1.00 0.00 O ATOM 1038 CB LEU A 64 7.026 -5.698 -1.386 1.00 0.00 C ATOM 1039 CG LEU A 64 5.829 -5.438 -2.314 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.218 -5.485 -3.800 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.750 -6.504 -2.169 1.00 0.00 C ATOM 0 H LEU A 64 5.019 -6.726 0.834 1.00 0.00 H new ATOM 0 HA LEU A 64 7.746 -5.950 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.741 -4.888 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.513 -6.615 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 64 5.473 -4.451 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.337 -5.295 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.972 -4.724 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.621 -6.469 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.924 -6.279 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.167 -7.480 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.386 -6.516 -1.141 1.00 0.00 H new ATOM 1053 N LEU A 65 6.923 -3.594 1.057 1.00 0.00 N ATOM 1054 CA LEU A 65 6.547 -2.296 1.579 1.00 0.00 C ATOM 1055 C LEU A 65 6.586 -1.330 0.391 1.00 0.00 C ATOM 1056 O LEU A 65 7.505 -1.420 -0.420 1.00 0.00 O ATOM 1057 CB LEU A 65 7.563 -1.940 2.680 1.00 0.00 C ATOM 1058 CG LEU A 65 6.949 -1.343 3.947 1.00 0.00 C ATOM 1059 CD1 LEU A 65 8.055 -1.183 4.995 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.323 0.026 3.705 1.00 0.00 C ATOM 0 H LEU A 65 7.933 -3.685 0.946 1.00 0.00 H new ATOM 0 HA LEU A 65 5.552 -2.260 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.116 -2.840 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.285 -1.232 2.274 1.00 0.00 H new ATOM 0 HG LEU A 65 6.162 -2.019 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.634 -0.758 5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.490 -2.158 5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.829 -0.520 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.902 0.404 4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.086 0.716 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.533 -0.062 2.959 1.00 0.00 H new ATOM 1072 N TYR A 66 5.581 -0.453 0.254 1.00 0.00 N ATOM 1073 CA TYR A 66 5.403 0.404 -0.914 1.00 0.00 C ATOM 1074 C TYR A 66 5.088 1.827 -0.439 1.00 0.00 C ATOM 1075 O TYR A 66 3.941 2.126 -0.103 1.00 0.00 O ATOM 1076 CB TYR A 66 4.264 -0.119 -1.813 1.00 0.00 C ATOM 1077 CG TYR A 66 4.112 -1.621 -1.992 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.624 -2.391 -0.918 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.066 -2.160 -3.294 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.017 -3.631 -1.149 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.408 -3.380 -3.528 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.818 -4.076 -2.459 1.00 0.00 C ATOM 1083 OH TYR A 66 2.055 -5.182 -2.683 1.00 0.00 O ATOM 0 H TYR A 66 4.862 -0.322 0.965 1.00 0.00 H new ATOM 0 HA TYR A 66 6.320 0.402 -1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.325 0.264 -1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.394 0.321 -2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.719 -2.021 0.092 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.537 -1.635 -4.112 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.703 -4.243 -0.316 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.356 -3.782 -4.529 1.00 0.00 H new ATOM 0 HH TYR A 66 1.919 -5.296 -3.647 1.00 0.00 H new ATOM 1093 N TYR A 67 6.117 2.678 -0.343 1.00 0.00 N ATOM 1094 CA TYR A 67 6.055 3.869 0.497 1.00 0.00 C ATOM 1095 C TYR A 67 6.458 5.133 -0.236 1.00 0.00 C ATOM 1096 O TYR A 67 7.470 5.177 -0.928 1.00 0.00 O ATOM 1097 CB TYR A 67 6.884 3.701 1.770 1.00 0.00 C ATOM 1098 CG TYR A 67 8.219 3.000 1.621 1.00 0.00 C ATOM 1099 CD1 TYR A 67 8.255 1.617 1.378 1.00 0.00 C ATOM 1100 CD2 TYR A 67 9.420 3.714 1.740 1.00 0.00 C ATOM 1101 CE1 TYR A 67 9.475 0.961 1.161 1.00 0.00 C ATOM 1102 CE2 TYR A 67 10.645 3.034 1.643 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.677 1.672 1.297 1.00 0.00 C ATOM 1104 OH TYR A 67 11.871 1.041 1.099 1.00 0.00 O ATOM 0 H TYR A 67 7.000 2.559 -0.839 1.00 0.00 H new ATOM 0 HA TYR A 67 5.007 3.983 0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.063 4.689 2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.287 3.147 2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.334 1.053 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.403 4.781 1.905 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.489 -0.085 0.891 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.568 3.561 1.835 1.00 0.00 H new ATOM 0 HH TYR A 67 11.876 0.621 0.214 1.00 0.00 H new ATOM 1114 N THR A 68 5.645 6.165 -0.023 1.00 0.00 N ATOM 1115 CA THR A 68 5.734 7.452 -0.712 1.00 0.00 C ATOM 1116 C THR A 68 5.730 8.608 0.287 1.00 0.00 C ATOM 1117 O THR A 68 5.097 8.518 1.338 1.00 0.00 O ATOM 1118 CB THR A 68 4.601 7.607 -1.739 1.00 0.00 C ATOM 1119 OG1 THR A 68 4.877 8.723 -2.562 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.222 7.808 -1.100 1.00 0.00 C ATOM 0 H THR A 68 4.883 6.129 0.654 1.00 0.00 H new ATOM 0 HA THR A 68 6.680 7.479 -1.252 1.00 0.00 H new ATOM 0 HB THR A 68 4.564 6.678 -2.309 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.607 8.503 -3.177 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.470 7.910 -1.882 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.981 6.948 -0.476 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.233 8.709 -0.487 1.00 0.00 H new ATOM 1128 N GLU A 69 6.403 9.706 -0.067 1.00 0.00 N ATOM 1129 CA GLU A 69 6.480 10.925 0.718 1.00 0.00 C ATOM 1130 C GLU A 69 5.230 11.784 0.487 1.00 0.00 C ATOM 1131 O GLU A 69 5.287 12.829 -0.161 1.00 0.00 O ATOM 1132 CB GLU A 69 7.799 11.650 0.408 1.00 0.00 C ATOM 1133 CG GLU A 69 8.114 11.804 -1.089 1.00 0.00 C ATOM 1134 CD GLU A 69 9.316 12.717 -1.302 1.00 0.00 C ATOM 1135 OE1 GLU A 69 9.238 13.881 -0.852 1.00 0.00 O ATOM 1136 OE2 GLU A 69 10.296 12.235 -1.909 1.00 0.00 O ATOM 0 H GLU A 69 6.926 9.765 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 69 6.491 10.696 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.768 12.640 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.616 11.107 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.314 10.825 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.246 12.212 -1.607 1.00 0.00 H new ATOM 1143 N PHE A 70 4.085 11.331 1.016 1.00 0.00 N ATOM 1144 CA PHE A 70 2.798 11.956 0.745 1.00 0.00 C ATOM 1145 C PHE A 70 2.696 13.352 1.362 1.00 0.00 C ATOM 1146 O PHE A 70 3.075 13.577 2.511 1.00 0.00 O ATOM 1147 CB PHE A 70 1.627 11.078 1.201 1.00 0.00 C ATOM 1148 CG PHE A 70 1.204 11.284 2.638 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.018 10.796 3.668 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.102 12.099 2.952 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.618 10.913 5.007 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.158 12.408 4.297 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.538 11.746 5.327 1.00 0.00 C ATOM 0 H PHE A 70 4.032 10.525 1.639 1.00 0.00 H new ATOM 0 HA PHE A 70 2.733 12.065 -0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.772 11.272 0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.900 10.032 1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.961 10.326 3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.536 12.482 2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.136 10.368 5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.896 13.157 4.543 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.241 11.880 6.357 1.00 0.00 H new ATOM 1163 N THR A 71 2.157 14.277 0.567 1.00 0.00 N ATOM 1164 CA THR A 71 1.995 15.676 0.920 1.00 0.00 C ATOM 1165 C THR A 71 0.499 15.999 0.825 1.00 0.00 C ATOM 1166 O THR A 71 -0.016 16.137 -0.286 1.00 0.00 O ATOM 1167 CB THR A 71 2.830 16.554 -0.026 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.134 16.028 -0.174 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.946 17.973 0.545 1.00 0.00 C ATOM 0 H THR A 71 1.812 14.060 -0.368 1.00 0.00 H new ATOM 0 HA THR A 71 2.348 15.876 1.932 1.00 0.00 H new ATOM 0 HB THR A 71 2.331 16.574 -0.995 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.650 16.599 -0.781 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.539 18.590 -0.130 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.951 18.405 0.651 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.431 17.934 1.521 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.221 16.075 1.955 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.658 16.291 1.992 1.00 0.00 C ATOM 1179 C PRO A 72 -1.959 17.777 1.795 1.00 0.00 C ATOM 1180 O PRO A 72 -2.294 18.489 2.739 1.00 0.00 O ATOM 1181 CB PRO A 72 -2.104 15.763 3.355 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.884 16.024 4.239 1.00 0.00 C ATOM 1183 CD PRO A 72 0.304 15.874 3.290 1.00 0.00 C ATOM 0 HA PRO A 72 -2.197 15.776 1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.987 16.286 3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.355 14.703 3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.918 17.020 4.681 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.829 15.312 5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.080 16.605 3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.758 14.888 3.386 1.00 0.00 H new ATOM 1191 N THR A 73 -1.828 18.235 0.547 1.00 0.00 N ATOM 1192 CA THR A 73 -2.076 19.610 0.144 1.00 0.00 C ATOM 1193 C THR A 73 -3.545 19.955 0.390 1.00 0.00 C ATOM 1194 O THR A 73 -4.418 19.517 -0.357 1.00 0.00 O ATOM 1195 CB THR A 73 -1.682 19.793 -1.328 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.190 18.729 -2.109 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.159 19.846 -1.485 1.00 0.00 C ATOM 0 H THR A 73 -1.538 17.638 -0.228 1.00 0.00 H new ATOM 0 HA THR A 73 -1.469 20.294 0.737 1.00 0.00 H new ATOM 0 HB THR A 73 -2.108 20.736 -1.671 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.117 18.547 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.094 19.976 -2.537 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.237 20.683 -0.910 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.277 18.916 -1.119 1.00 0.00 H new ATOM 1205 N GLU A 74 -3.797 20.723 1.459 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.119 21.045 1.982 1.00 0.00 C ATOM 1207 C GLU A 74 -5.981 19.776 2.095 1.00 0.00 C ATOM 1208 O GLU A 74 -5.589 18.839 2.790 1.00 0.00 O ATOM 1209 CB GLU A 74 -5.750 22.185 1.166 1.00 0.00 C ATOM 1210 CG GLU A 74 -6.975 22.781 1.882 1.00 0.00 C ATOM 1211 CD GLU A 74 -8.115 23.071 0.911 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -8.613 22.088 0.321 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -8.471 24.262 0.779 1.00 0.00 O ATOM 0 H GLU A 74 -3.048 21.152 2.002 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.039 21.425 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.009 22.967 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.046 21.811 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.319 22.088 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.687 23.702 2.389 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.137 19.731 1.417 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.091 18.634 1.483 1.00 0.00 C ATOM 1222 C LYS A 75 -7.745 17.564 0.437 1.00 0.00 C ATOM 1223 O LYS A 75 -8.591 17.165 -0.362 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.517 19.205 1.348 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.598 18.189 1.745 1.00 0.00 C ATOM 1226 CD LYS A 75 -11.997 18.821 1.744 1.00 0.00 C ATOM 1227 CE LYS A 75 -13.088 17.774 2.009 1.00 0.00 C ATOM 1228 NZ LYS A 75 -12.933 17.118 3.320 1.00 0.00 N ATOM 0 H LYS A 75 -7.435 20.481 0.793 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.039 18.128 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.610 20.093 1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.682 19.522 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.578 17.347 1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.378 17.792 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.046 19.600 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.179 19.303 0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.066 18.252 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.062 17.019 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.748 16.496 3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.059 16.554 3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.883 17.841 4.066 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.499 17.074 0.474 1.00 0.00 N ATOM 1243 CA ASP A 76 -6.074 15.869 -0.235 1.00 0.00 C ATOM 1244 C ASP A 76 -6.318 14.654 0.665 1.00 0.00 C ATOM 1245 O ASP A 76 -6.061 14.714 1.868 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.580 15.944 -0.609 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.330 15.942 -2.118 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -4.583 16.996 -2.739 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -3.864 14.895 -2.624 1.00 0.00 O ATOM 0 H ASP A 76 -5.749 17.514 1.007 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.650 15.780 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.150 16.848 -0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.058 15.099 -0.161 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.760 13.544 0.062 1.00 0.00 N ATOM 1255 CA GLU A 77 -6.736 12.210 0.650 1.00 0.00 C ATOM 1256 C GLU A 77 -5.854 11.353 -0.254 1.00 0.00 C ATOM 1257 O GLU A 77 -5.901 11.507 -1.474 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.160 11.639 0.750 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.186 10.250 1.410 1.00 0.00 C ATOM 1260 CD GLU A 77 -9.602 9.689 1.518 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -10.052 9.083 0.521 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -10.210 9.859 2.598 1.00 0.00 O ATOM 0 H GLU A 77 -7.156 13.556 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.338 12.230 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.784 12.324 1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.594 11.573 -0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.568 9.563 0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.746 10.314 2.405 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.055 10.465 0.347 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.260 9.470 -0.360 1.00 0.00 C ATOM 1271 C TYR A 78 -4.851 8.088 -0.086 1.00 0.00 C ATOM 1272 O TYR A 78 -5.435 7.848 0.972 1.00 0.00 O ATOM 1273 CB TYR A 78 -2.778 9.535 0.045 1.00 0.00 C ATOM 1274 CG TYR A 78 -1.975 10.679 -0.548 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.290 12.009 -0.216 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -0.841 10.413 -1.338 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.528 13.065 -0.739 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.061 11.475 -1.835 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.400 12.803 -1.531 1.00 0.00 C ATOM 1280 OH TYR A 78 0.355 13.831 -2.016 1.00 0.00 O ATOM 0 H TYR A 78 -4.945 10.422 1.360 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.296 9.677 -1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.722 9.603 1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.302 8.597 -0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.120 12.218 0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.568 9.393 -1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.812 14.086 -0.530 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.801 11.267 -2.452 1.00 0.00 H new ATOM 0 HH TYR A 78 0.229 14.623 -1.453 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.704 7.187 -1.061 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.202 5.826 -1.003 1.00 0.00 C ATOM 1292 C ALA A 79 -4.203 4.876 -1.653 1.00 0.00 C ATOM 1293 O ALA A 79 -3.241 5.310 -2.289 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.560 5.750 -1.707 1.00 0.00 C ATOM 0 H ALA A 79 -4.220 7.398 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.328 5.528 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.935 4.728 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.265 6.417 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.447 6.052 -2.748 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.445 3.575 -1.467 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.580 2.495 -1.904 1.00 0.00 C ATOM 1302 C CYS A 80 -4.434 1.380 -2.498 1.00 0.00 C ATOM 1303 O CYS A 80 -5.191 0.723 -1.787 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.736 2.014 -0.720 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.427 3.198 -0.306 1.00 0.00 S ATOM 0 H CYS A 80 -5.282 3.241 -0.989 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.894 2.836 -2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.378 1.863 0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.291 1.048 -0.959 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.298 1.172 -3.811 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.886 0.043 -4.520 1.00 0.00 C ATOM 1312 C ARG A 81 -4.289 -1.253 -3.966 1.00 0.00 C ATOM 1313 O ARG A 81 -3.109 -1.273 -3.635 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.554 0.203 -6.009 1.00 0.00 C ATOM 1315 CG ARG A 81 -5.069 -0.946 -6.883 1.00 0.00 C ATOM 1316 CD ARG A 81 -4.460 -0.878 -8.286 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.925 -1.999 -9.112 1.00 0.00 N ATOM 1318 CZ ARG A 81 -4.282 -2.529 -10.166 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -3.148 -1.987 -10.634 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -4.777 -3.632 -10.745 1.00 0.00 N ATOM 0 H ARG A 81 -3.766 1.797 -4.417 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.968 0.008 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.980 1.140 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.473 0.279 -6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.820 -1.901 -6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.156 -0.898 -6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.731 0.065 -8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.372 -0.898 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.822 -2.415 -8.862 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.758 -1.157 -10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.676 -2.405 -11.435 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.631 -4.058 -10.385 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.300 -4.046 -11.546 1.00 0.00 H new ATOM 1334 N VAL A 82 -5.071 -2.337 -3.875 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.552 -3.652 -3.547 1.00 0.00 C ATOM 1336 C VAL A 82 -5.145 -4.641 -4.546 1.00 0.00 C ATOM 1337 O VAL A 82 -6.335 -4.941 -4.481 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.892 -4.023 -2.095 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.126 -5.292 -1.722 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.518 -2.912 -1.105 1.00 0.00 C ATOM 0 H VAL A 82 -6.079 -2.317 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.465 -3.670 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.970 -4.174 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.358 -5.568 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.418 -6.103 -2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.055 -5.112 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.778 -3.223 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.446 -2.720 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.063 -2.002 -1.356 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.318 -5.125 -5.479 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.724 -6.077 -6.499 1.00 0.00 C ATOM 1352 C ASN A 83 -3.651 -7.162 -6.590 1.00 0.00 C ATOM 1353 O ASN A 83 -2.802 -7.128 -7.478 1.00 0.00 O ATOM 1354 CB ASN A 83 -4.924 -5.336 -7.825 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.641 -6.191 -8.869 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.792 -5.921 -9.201 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -4.962 -7.205 -9.407 1.00 0.00 N ATOM 0 H ASN A 83 -3.336 -4.858 -5.541 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.672 -6.555 -6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.499 -4.427 -7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.954 -5.028 -8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.398 -7.788 -10.121 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.007 -7.397 -9.104 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.693 -8.133 -5.671 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.893 -9.345 -5.775 1.00 0.00 C ATOM 1366 C HIS A 84 -3.486 -10.169 -6.925 1.00 0.00 C ATOM 1367 O HIS A 84 -4.660 -10.005 -7.252 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.992 -10.096 -4.448 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.229 -11.388 -4.435 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.898 -12.608 -4.459 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.878 -11.614 -4.431 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.931 -13.524 -4.430 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.701 -12.981 -4.423 1.00 0.00 N ATOM 0 H HIS A 84 -4.282 -8.095 -4.839 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.841 -9.139 -5.975 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.621 -9.455 -3.648 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.041 -10.300 -4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.100 -10.865 -4.434 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.115 -14.588 -4.414 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.188 -13.482 -4.414 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.700 -11.052 -7.545 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.164 -11.872 -8.661 1.00 0.00 C ATOM 1383 C VAL A 85 -4.447 -12.646 -8.325 1.00 0.00 C ATOM 1384 O VAL A 85 -5.313 -12.787 -9.187 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.029 -12.776 -9.173 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.510 -13.765 -8.121 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.431 -13.529 -10.446 1.00 0.00 C ATOM 0 H VAL A 85 -1.727 -11.217 -7.287 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.440 -11.206 -9.478 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.209 -12.097 -9.406 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.712 -14.369 -8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.125 -13.214 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.324 -14.415 -7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.602 -14.156 -10.775 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.300 -14.154 -10.240 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.678 -12.813 -11.230 1.00 0.00 H new ATOM 1397 N THR A 86 -4.588 -13.121 -7.079 1.00 0.00 N ATOM 1398 CA THR A 86 -5.759 -13.884 -6.666 1.00 0.00 C ATOM 1399 C THR A 86 -6.971 -12.989 -6.370 1.00 0.00 C ATOM 1400 O THR A 86 -8.101 -13.471 -6.433 1.00 0.00 O ATOM 1401 CB THR A 86 -5.403 -14.870 -5.540 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.107 -16.078 -5.739 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.726 -14.354 -4.139 1.00 0.00 C ATOM 0 H THR A 86 -3.897 -12.985 -6.341 1.00 0.00 H new ATOM 0 HA THR A 86 -6.082 -14.496 -7.509 1.00 0.00 H new ATOM 0 HB THR A 86 -4.323 -15.011 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.570 -16.682 -6.292 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.446 -15.106 -3.401 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.168 -13.436 -3.952 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.794 -14.151 -4.063 1.00 0.00 H new ATOM 1411 N LEU A 87 -6.764 -11.692 -6.088 1.00 0.00 N ATOM 1412 CA LEU A 87 -7.860 -10.734 -6.021 1.00 0.00 C ATOM 1413 C LEU A 87 -8.409 -10.516 -7.431 1.00 0.00 C ATOM 1414 O LEU A 87 -7.714 -9.991 -8.300 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.394 -9.400 -5.416 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.653 -9.281 -3.910 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -6.974 -10.386 -3.099 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.155 -7.911 -3.435 1.00 0.00 C ATOM 0 H LEU A 87 -5.844 -11.291 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.643 -11.131 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.327 -9.280 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.901 -8.582 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.725 -9.388 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.194 -10.248 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.347 -11.357 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.896 -10.341 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.332 -7.811 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.087 -7.822 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.691 -7.125 -3.967 1.00 0.00 H new ATOM 1430 N SER A 88 -9.676 -10.896 -7.637 1.00 0.00 N ATOM 1431 CA SER A 88 -10.393 -10.705 -8.890 1.00 0.00 C ATOM 1432 C SER A 88 -10.778 -9.236 -9.127 1.00 0.00 C ATOM 1433 O SER A 88 -11.358 -8.931 -10.168 1.00 0.00 O ATOM 1434 CB SER A 88 -11.638 -11.602 -8.878 1.00 0.00 C ATOM 1435 OG SER A 88 -12.258 -11.622 -10.147 1.00 0.00 O ATOM 0 H SER A 88 -10.237 -11.354 -6.918 1.00 0.00 H new ATOM 0 HA SER A 88 -9.736 -10.982 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.358 -12.615 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.344 -11.241 -8.130 1.00 0.00 H new ATOM 0 HG SER A 88 -12.209 -10.730 -10.549 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.490 -8.333 -8.175 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.843 -6.925 -8.247 1.00 0.00 C ATOM 1443 C GLN A 89 -9.784 -6.087 -7.523 1.00 0.00 C ATOM 1444 O GLN A 89 -9.201 -6.561 -6.549 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.234 -6.710 -7.638 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.319 -7.113 -6.158 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.696 -6.837 -5.556 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -14.612 -6.392 -6.243 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -13.845 -7.095 -4.255 1.00 0.00 N ATOM 0 H GLN A 89 -9.994 -8.578 -7.318 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.874 -6.606 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.508 -5.660 -7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.965 -7.285 -8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.089 -8.174 -6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.563 -6.569 -5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.062 -7.464 -3.715 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.742 -6.923 -3.800 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.537 -4.840 -7.956 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.618 -3.940 -7.284 1.00 0.00 C ATOM 1460 C PRO A 90 -9.290 -3.390 -6.022 1.00 0.00 C ATOM 1461 O PRO A 90 -10.062 -2.435 -6.086 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.322 -2.855 -8.323 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.613 -2.768 -9.135 1.00 0.00 C ATOM 1464 CD PRO A 90 -10.092 -4.219 -9.151 1.00 0.00 C ATOM 0 HA PRO A 90 -7.694 -4.411 -6.950 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.082 -1.903 -7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.472 -3.123 -8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.342 -2.105 -8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.435 -2.388 -10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.181 -4.270 -9.147 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.752 -4.732 -10.051 1.00 0.00 H new ATOM 1472 N LYS A 91 -9.005 -4.008 -4.870 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.598 -3.641 -3.595 1.00 0.00 C ATOM 1474 C LYS A 91 -8.857 -2.402 -3.086 1.00 0.00 C ATOM 1475 O LYS A 91 -7.744 -2.511 -2.575 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.507 -4.841 -2.633 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.463 -4.765 -1.432 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.277 -3.488 -0.606 1.00 0.00 C ATOM 1479 CE LYS A 91 -11.103 -3.519 0.679 1.00 0.00 C ATOM 1480 NZ LYS A 91 -11.016 -2.227 1.382 1.00 0.00 N ATOM 0 H LYS A 91 -8.348 -4.785 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.656 -3.394 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.715 -5.754 -3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.484 -4.919 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.492 -4.815 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.305 -5.633 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.223 -3.366 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.566 -2.623 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.144 -3.742 0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.745 -4.318 1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.956 -1.963 1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.352 -2.309 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.678 -1.496 0.724 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.461 -1.217 -3.234 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.829 0.032 -2.842 1.00 0.00 C ATOM 1496 C ILE A 92 -8.946 0.223 -1.328 1.00 0.00 C ATOM 1497 O ILE A 92 -9.978 -0.095 -0.734 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.426 1.224 -3.612 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.660 0.954 -5.111 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.514 2.446 -3.434 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.420 0.463 -5.863 1.00 0.00 C ATOM 0 H ILE A 92 -10.396 -1.105 -3.627 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.771 -0.015 -3.100 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.413 1.407 -3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.452 0.212 -5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.017 1.870 -5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.932 3.294 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.441 2.694 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.521 2.219 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.672 0.297 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.632 1.213 -5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.073 -0.471 -5.421 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.876 0.743 -0.715 1.00 0.00 N ATOM 1514 CA VAL A 93 -7.784 1.034 0.706 1.00 0.00 C ATOM 1515 C VAL A 93 -7.407 2.505 0.850 1.00 0.00 C ATOM 1516 O VAL A 93 -6.242 2.860 0.676 1.00 0.00 O ATOM 1517 CB VAL A 93 -6.733 0.114 1.357 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -6.544 0.451 2.844 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.148 -1.355 1.224 1.00 0.00 C ATOM 0 H VAL A 93 -7.022 0.979 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.733 0.851 1.211 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.790 0.276 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.797 -0.215 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.211 1.484 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.491 0.323 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.394 -1.990 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.107 -1.508 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.239 -1.613 0.169 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.383 3.359 1.179 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.098 4.745 1.517 1.00 0.00 C ATOM 1531 C LYS A 94 -7.335 4.787 2.842 1.00 0.00 C ATOM 1532 O LYS A 94 -7.660 4.038 3.763 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.381 5.587 1.544 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.213 5.392 2.817 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.511 6.202 2.733 1.00 0.00 C ATOM 1536 CE LYS A 94 -12.217 6.254 4.093 1.00 0.00 C ATOM 1537 NZ LYS A 94 -11.455 7.046 5.077 1.00 0.00 N ATOM 0 H LYS A 94 -9.371 3.109 1.216 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.468 5.190 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.117 6.640 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.992 5.333 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.444 4.335 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.637 5.705 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.290 7.215 2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.174 5.756 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.210 6.686 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.354 5.241 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.075 7.301 5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.654 6.484 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.098 7.912 4.624 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.321 5.650 2.934 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.563 5.833 4.161 1.00 0.00 C ATOM 1553 C TRP A 95 -6.277 6.868 5.037 1.00 0.00 C ATOM 1554 O TRP A 95 -6.423 8.022 4.637 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.127 6.247 3.817 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.403 7.005 4.882 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.938 6.532 6.058 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.142 8.430 4.897 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.422 7.578 6.802 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.609 8.789 6.167 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.311 9.453 3.949 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.373 10.128 6.518 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.997 10.784 4.257 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.619 11.125 5.564 1.00 0.00 C ATOM 0 H TRP A 95 -6.008 6.237 2.160 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.505 4.902 4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.555 5.349 3.582 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.150 6.856 2.913 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.965 5.498 6.369 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.962 7.468 7.706 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.689 9.210 2.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.010 10.384 7.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.046 11.544 3.491 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.517 12.165 5.838 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.702 6.450 6.237 1.00 0.00 N ATOM 1576 CA ASP A 96 -7.236 7.335 7.264 1.00 0.00 C ATOM 1577 C ASP A 96 -6.077 7.982 8.022 1.00 0.00 C ATOM 1578 O ASP A 96 -4.958 7.486 7.966 1.00 0.00 O ATOM 1579 CB ASP A 96 -8.135 6.545 8.223 1.00 0.00 C ATOM 1580 CG ASP A 96 -7.351 5.485 8.994 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -6.800 5.846 10.057 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -7.305 4.341 8.492 1.00 0.00 O ATOM 0 H ASP A 96 -6.681 5.470 6.519 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.838 8.116 6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.607 7.231 8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.935 6.066 7.659 1.00 0.00 H new ATOM 1587 N ARG A 97 -6.348 9.081 8.732 1.00 0.00 N ATOM 1588 CA ARG A 97 -5.341 9.891 9.411 1.00 0.00 C ATOM 1589 C ARG A 97 -4.464 9.056 10.355 1.00 0.00 C ATOM 1590 O ARG A 97 -3.351 8.676 9.991 1.00 0.00 O ATOM 1591 CB ARG A 97 -6.034 11.046 10.158 1.00 0.00 C ATOM 1592 CG ARG A 97 -6.655 12.099 9.226 1.00 0.00 C ATOM 1593 CD ARG A 97 -5.637 13.125 8.714 1.00 0.00 C ATOM 1594 NE ARG A 97 -5.092 13.939 9.815 1.00 0.00 N ATOM 1595 CZ ARG A 97 -5.230 15.265 10.004 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -5.878 16.043 9.124 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -4.696 15.824 11.099 1.00 0.00 N ATOM 0 H ARG A 97 -7.296 9.438 8.851 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.668 10.304 8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.814 10.636 10.800 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.308 11.533 10.810 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.115 11.596 8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.452 12.620 9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.823 12.609 8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.112 13.775 7.979 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.546 13.439 10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.283 15.633 8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.965 17.045 9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.194 15.246 11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.791 16.827 11.258 1.00 0.00 H new ATOM 1611 N ASP A 98 -4.958 8.823 11.575 1.00 0.00 N ATOM 1612 CA ASP A 98 -4.257 8.168 12.669 1.00 0.00 C ATOM 1613 C ASP A 98 -5.263 7.943 13.802 1.00 0.00 C ATOM 1614 O ASP A 98 -5.180 8.582 14.851 1.00 0.00 O ATOM 1615 CB ASP A 98 -3.084 9.057 13.111 1.00 0.00 C ATOM 1616 CG ASP A 98 -2.248 8.454 14.238 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -2.065 7.218 14.223 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -1.789 9.248 15.088 1.00 0.00 O ATOM 0 H ASP A 98 -5.905 9.102 11.833 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.847 7.204 12.368 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.439 9.246 12.253 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.473 10.022 13.435 1.00 0.00 H new ATOM 1623 N MET A 99 -6.250 7.071 13.566 1.00 0.00 N ATOM 1624 CA MET A 99 -7.355 6.848 14.487 1.00 0.00 C ATOM 1625 C MET A 99 -7.938 5.455 14.243 1.00 0.00 C ATOM 1626 O MET A 99 -7.964 4.668 15.214 1.00 0.00 O ATOM 1627 CB MET A 99 -8.405 7.953 14.286 1.00 0.00 C ATOM 1628 CG MET A 99 -9.591 7.844 15.251 1.00 0.00 C ATOM 1629 SD MET A 99 -9.186 8.092 17.004 1.00 0.00 S ATOM 1630 CE MET A 99 -10.847 7.946 17.717 1.00 0.00 C ATOM 1631 OXT MET A 99 -8.355 5.204 13.091 1.00 0.00 O ATOM 0 H MET A 99 -6.299 6.499 12.723 1.00 0.00 H new ATOM 0 HA MET A 99 -7.013 6.891 15.521 1.00 0.00 H new ATOM 0 HB2 MET A 99 -7.929 8.925 14.415 1.00 0.00 H new ATOM 0 HB3 MET A 99 -8.774 7.912 13.261 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.343 8.577 14.961 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.044 6.859 15.135 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.791 8.073 18.798 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.493 8.715 17.294 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.256 6.962 17.488 1.00 0.00 H new TER 1641 MET A 99