USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 27 CYS SG : rot 178:sc= 0.964 USER MOD Set 1.2: A 77 CYS SG : rot 173:sc= -4.01! USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.385 K(o=0.39,f=-1.4) USER MOD Single : A 12 HIS : no HE2:sc= -0.352 K(o=-0.35,f=-1.1) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 CYS SG : rot 30:sc= 0.0942 USER MOD Single : A 24 MET CE :methyl 140:sc= -0.354 (180deg=-0.549) USER MOD Single : A 39 TYR OH : rot -87:sc= 0.452 USER MOD Single : A 40 LYS NZ :NH3+ -144:sc= 1.17 (180deg=0.527) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 48 SER OG : rot 180:sc= -0.132 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.165 F(o=-2.7!,f=-0.16) USER MOD Single : A 59 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.0084) USER MOD Single : A 67 THR OG1 : rot 75:sc= 0.294 USER MOD Single : A 68 GLN : amide:sc= 0.0503 X(o=0.05,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.78!) USER MOD Single : A 83 CYS SG : rot 170:sc= -3.3 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -79:sc= 0.282 USER MOD Single : A 89 THR OG1 : rot -153:sc= 0.526 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -15.662 -19.491 -6.713 1.00 35.31 N ATOM 2 CA HIS A 1 -14.616 -18.436 -6.603 1.00 21.50 C ATOM 3 C HIS A 1 -14.892 -17.571 -5.348 1.00 64.01 C ATOM 4 O HIS A 1 -16.001 -17.049 -5.192 1.00 34.23 O ATOM 5 CB HIS A 1 -14.589 -17.557 -7.905 1.00 41.34 C ATOM 6 CG HIS A 1 -13.220 -17.308 -8.500 1.00 41.31 C ATOM 7 ND1 HIS A 1 -12.750 -16.053 -8.834 1.00 51.25 N ATOM 8 CD2 HIS A 1 -12.249 -18.173 -8.883 1.00 74.21 C ATOM 9 CE1 HIS A 1 -11.565 -16.158 -9.400 1.00 42.14 C ATOM 10 NE2 HIS A 1 -11.239 -17.429 -9.439 1.00 13.42 N ATOM 0 H1 HIS A 1 -15.480 -20.074 -7.555 1.00 35.31 H new ATOM 0 H2 HIS A 1 -15.640 -20.092 -5.864 1.00 35.31 H new ATOM 0 H3 HIS A 1 -16.598 -19.045 -6.797 1.00 35.31 H new ATOM 0 HA HIS A 1 -13.636 -18.901 -6.498 1.00 21.50 H new ATOM 0 HB2 HIS A 1 -15.211 -18.039 -8.660 1.00 41.34 H new ATOM 0 HB3 HIS A 1 -15.048 -16.594 -7.681 1.00 41.34 H new ATOM 0 HD2 HIS A 1 -12.267 -19.247 -8.771 1.00 74.21 H new ATOM 0 HE1 HIS A 1 -10.965 -15.339 -9.769 1.00 42.14 H new ATOM 0 HE2 HIS A 1 -10.371 -17.804 -9.822 1.00 13.42 H new ATOM 19 N MET A 2 -13.896 -17.459 -4.452 1.00 1.03 N ATOM 20 CA MET A 2 -13.973 -16.577 -3.260 1.00 2.51 C ATOM 21 C MET A 2 -13.646 -15.111 -3.668 1.00 42.32 C ATOM 22 O MET A 2 -12.740 -14.905 -4.482 1.00 13.03 O ATOM 23 CB MET A 2 -12.986 -17.070 -2.170 1.00 65.34 C ATOM 24 CG MET A 2 -13.234 -18.506 -1.682 1.00 64.34 C ATOM 25 SD MET A 2 -11.985 -19.052 -0.492 1.00 70.41 S ATOM 26 CE MET A 2 -12.492 -20.745 -0.172 1.00 53.31 C ATOM 0 H MET A 2 -13.017 -17.971 -4.527 1.00 1.03 H new ATOM 0 HA MET A 2 -14.983 -16.611 -2.853 1.00 2.51 H new ATOM 0 HB2 MET A 2 -11.971 -17.004 -2.561 1.00 65.34 H new ATOM 0 HB3 MET A 2 -13.043 -16.395 -1.316 1.00 65.34 H new ATOM 0 HG2 MET A 2 -14.221 -18.566 -1.223 1.00 64.34 H new ATOM 0 HG3 MET A 2 -13.238 -19.182 -2.537 1.00 64.34 H new ATOM 0 HE1 MET A 2 -11.809 -21.200 0.545 1.00 53.31 H new ATOM 0 HE2 MET A 2 -13.503 -20.751 0.236 1.00 53.31 H new ATOM 0 HE3 MET A 2 -12.473 -21.313 -1.102 1.00 53.31 H new ATOM 36 N PRO A 3 -14.393 -14.080 -3.127 1.00 63.30 N ATOM 37 CA PRO A 3 -14.208 -12.642 -3.500 1.00 23.25 C ATOM 38 C PRO A 3 -12.750 -12.111 -3.314 1.00 24.34 C ATOM 39 O PRO A 3 -11.975 -12.141 -4.266 1.00 4.24 O ATOM 40 CB PRO A 3 -15.237 -11.906 -2.606 1.00 64.50 C ATOM 41 CG PRO A 3 -16.269 -12.945 -2.290 1.00 35.05 C ATOM 42 CD PRO A 3 -15.494 -14.231 -2.134 1.00 22.42 C ATOM 0 HA PRO A 3 -14.372 -12.478 -4.565 1.00 23.25 H new ATOM 0 HB2 PRO A 3 -14.771 -11.520 -1.699 1.00 64.50 H new ATOM 0 HB3 PRO A 3 -15.677 -11.054 -3.125 1.00 64.50 H new ATOM 0 HG2 PRO A 3 -16.811 -12.698 -1.377 1.00 35.05 H new ATOM 0 HG3 PRO A 3 -17.007 -13.023 -3.088 1.00 35.05 H new ATOM 0 HD2 PRO A 3 -15.110 -14.351 -1.121 1.00 22.42 H new ATOM 0 HD3 PRO A 3 -16.112 -15.103 -2.346 1.00 22.42 H new ATOM 50 N VAL A 4 -12.382 -11.643 -2.096 1.00 20.10 N ATOM 51 CA VAL A 4 -10.992 -11.180 -1.781 1.00 64.31 C ATOM 52 C VAL A 4 -10.841 -10.768 -0.288 1.00 24.24 C ATOM 53 O VAL A 4 -11.749 -10.163 0.300 1.00 43.33 O ATOM 54 CB VAL A 4 -10.517 -9.985 -2.713 1.00 14.42 C ATOM 55 CG1 VAL A 4 -11.410 -8.730 -2.549 1.00 22.20 C ATOM 56 CG2 VAL A 4 -9.009 -9.663 -2.510 1.00 53.35 C ATOM 0 H VAL A 4 -13.025 -11.573 -1.308 1.00 20.10 H new ATOM 0 HA VAL A 4 -10.349 -12.038 -1.978 1.00 64.31 H new ATOM 0 HB VAL A 4 -10.635 -10.317 -3.745 1.00 14.42 H new ATOM 0 HG11 VAL A 4 -11.049 -7.938 -3.205 1.00 22.20 H new ATOM 0 HG12 VAL A 4 -12.438 -8.978 -2.812 1.00 22.20 H new ATOM 0 HG13 VAL A 4 -11.372 -8.389 -1.514 1.00 22.20 H new ATOM 0 HG21 VAL A 4 -8.721 -8.840 -3.165 1.00 53.35 H new ATOM 0 HG22 VAL A 4 -8.834 -9.379 -1.472 1.00 53.35 H new ATOM 0 HG23 VAL A 4 -8.413 -10.544 -2.751 1.00 53.35 H new ATOM 66 N HIS A 5 -9.693 -11.137 0.323 1.00 61.51 N ATOM 67 CA HIS A 5 -9.312 -10.729 1.699 1.00 52.10 C ATOM 68 C HIS A 5 -7.789 -10.444 1.787 1.00 54.32 C ATOM 69 O HIS A 5 -6.965 -11.354 1.675 1.00 54.34 O ATOM 70 CB HIS A 5 -9.722 -11.811 2.736 1.00 31.33 C ATOM 71 CG HIS A 5 -11.208 -11.912 2.944 1.00 42.55 C ATOM 72 ND1 HIS A 5 -11.921 -10.955 3.631 1.00 72.33 N ATOM 73 CD2 HIS A 5 -12.122 -12.823 2.522 1.00 62.30 C ATOM 74 CE1 HIS A 5 -13.196 -11.265 3.626 1.00 61.50 C ATOM 75 NE2 HIS A 5 -13.351 -12.389 2.958 1.00 5.33 N ATOM 0 H HIS A 5 -8.997 -11.732 -0.127 1.00 61.51 H new ATOM 0 HA HIS A 5 -9.850 -9.811 1.935 1.00 52.10 H new ATOM 0 HB2 HIS A 5 -9.343 -12.779 2.408 1.00 31.33 H new ATOM 0 HB3 HIS A 5 -9.244 -11.588 3.690 1.00 31.33 H new ATOM 0 HD1 HIS A 5 -11.519 -10.130 4.076 1.00 72.33 H new ATOM 0 HD2 HIS A 5 -11.921 -13.718 1.952 1.00 62.30 H new ATOM 0 HE1 HIS A 5 -13.986 -10.694 4.092 1.00 61.50 H new ATOM 84 N ILE A 6 -7.442 -9.176 2.020 1.00 25.05 N ATOM 85 CA ILE A 6 -6.044 -8.703 2.115 1.00 52.11 C ATOM 86 C ILE A 6 -5.295 -9.376 3.306 1.00 21.12 C ATOM 87 O ILE A 6 -5.646 -9.154 4.463 1.00 22.22 O ATOM 88 CB ILE A 6 -6.036 -7.137 2.293 1.00 64.03 C ATOM 89 CG1 ILE A 6 -6.805 -6.438 1.123 1.00 24.24 C ATOM 90 CG2 ILE A 6 -4.602 -6.592 2.414 1.00 23.44 C ATOM 91 CD1 ILE A 6 -6.962 -4.929 1.268 1.00 54.44 C ATOM 0 H ILE A 6 -8.128 -8.433 2.151 1.00 25.05 H new ATOM 0 HA ILE A 6 -5.524 -8.977 1.197 1.00 52.11 H new ATOM 0 HB ILE A 6 -6.554 -6.908 3.224 1.00 64.03 H new ATOM 0 HG12 ILE A 6 -6.283 -6.646 0.189 1.00 24.24 H new ATOM 0 HG13 ILE A 6 -7.796 -6.885 1.041 1.00 24.24 H new ATOM 0 HG21 ILE A 6 -4.633 -5.509 2.536 1.00 23.44 H new ATOM 0 HG22 ILE A 6 -4.114 -7.040 3.280 1.00 23.44 H new ATOM 0 HG23 ILE A 6 -4.041 -6.840 1.513 1.00 23.44 H new ATOM 0 HD11 ILE A 6 -7.507 -4.536 0.410 1.00 54.44 H new ATOM 0 HD12 ILE A 6 -7.514 -4.707 2.181 1.00 54.44 H new ATOM 0 HD13 ILE A 6 -5.977 -4.464 1.317 1.00 54.44 H new ATOM 103 N VAL A 7 -4.274 -10.211 3.006 1.00 22.20 N ATOM 104 CA VAL A 7 -3.504 -10.941 4.050 1.00 63.22 C ATOM 105 C VAL A 7 -2.528 -10.017 4.829 1.00 32.11 C ATOM 106 O VAL A 7 -2.184 -10.305 5.979 1.00 22.24 O ATOM 107 CB VAL A 7 -2.703 -12.164 3.452 1.00 64.20 C ATOM 108 CG1 VAL A 7 -3.662 -13.243 2.904 1.00 34.04 C ATOM 109 CG2 VAL A 7 -1.694 -11.718 2.360 1.00 63.23 C ATOM 0 H VAL A 7 -3.962 -10.399 2.053 1.00 22.20 H new ATOM 0 HA VAL A 7 -4.251 -11.317 4.749 1.00 63.22 H new ATOM 0 HB VAL A 7 -2.128 -12.600 4.269 1.00 64.20 H new ATOM 0 HG11 VAL A 7 -3.083 -14.073 2.499 1.00 34.04 H new ATOM 0 HG12 VAL A 7 -4.300 -13.606 3.710 1.00 34.04 H new ATOM 0 HG13 VAL A 7 -4.281 -12.814 2.116 1.00 34.04 H new ATOM 0 HG21 VAL A 7 -1.165 -12.590 1.976 1.00 63.23 H new ATOM 0 HG22 VAL A 7 -2.231 -11.231 1.546 1.00 63.23 H new ATOM 0 HG23 VAL A 7 -0.977 -11.019 2.791 1.00 63.23 H new ATOM 119 N ASP A 8 -2.101 -8.912 4.197 1.00 3.40 N ATOM 120 CA ASP A 8 -1.097 -7.991 4.768 1.00 2.13 C ATOM 121 C ASP A 8 -1.315 -6.541 4.243 1.00 73.52 C ATOM 122 O ASP A 8 -1.513 -6.357 3.045 1.00 32.05 O ATOM 123 CB ASP A 8 0.325 -8.502 4.407 1.00 33.33 C ATOM 124 CG ASP A 8 1.443 -7.613 4.966 1.00 71.22 C ATOM 125 OD1 ASP A 8 1.737 -7.699 6.178 1.00 65.14 O ATOM 126 OD2 ASP A 8 2.014 -6.806 4.205 1.00 25.02 O ATOM 0 H ASP A 8 -2.440 -8.630 3.277 1.00 3.40 H new ATOM 0 HA ASP A 8 -1.206 -7.967 5.852 1.00 2.13 H new ATOM 0 HB2 ASP A 8 0.449 -9.515 4.790 1.00 33.33 H new ATOM 0 HB3 ASP A 8 0.421 -8.557 3.323 1.00 33.33 H new ATOM 131 N PRO A 9 -1.281 -5.477 5.114 1.00 30.14 N ATOM 132 CA PRO A 9 -1.151 -5.584 6.596 1.00 33.10 C ATOM 133 C PRO A 9 -2.514 -5.741 7.341 1.00 40.44 C ATOM 134 O PRO A 9 -3.557 -5.259 6.882 1.00 4.44 O ATOM 135 CB PRO A 9 -0.449 -4.252 6.941 1.00 11.42 C ATOM 136 CG PRO A 9 -1.011 -3.269 5.952 1.00 34.24 C ATOM 137 CD PRO A 9 -1.324 -4.054 4.683 1.00 22.22 C ATOM 0 HA PRO A 9 -0.610 -6.476 6.910 1.00 33.10 H new ATOM 0 HB2 PRO A 9 -0.656 -3.947 7.967 1.00 11.42 H new ATOM 0 HB3 PRO A 9 0.634 -4.337 6.846 1.00 11.42 H new ATOM 0 HG2 PRO A 9 -1.910 -2.795 6.346 1.00 34.24 H new ATOM 0 HG3 PRO A 9 -0.295 -2.473 5.748 1.00 34.24 H new ATOM 0 HD2 PRO A 9 -2.302 -3.789 4.282 1.00 22.22 H new ATOM 0 HD3 PRO A 9 -0.593 -3.853 3.900 1.00 22.22 H new ATOM 145 N ARG A 10 -2.484 -6.431 8.500 1.00 62.24 N ATOM 146 CA ARG A 10 -3.681 -6.666 9.353 1.00 53.31 C ATOM 147 C ARG A 10 -3.649 -5.789 10.626 1.00 11.14 C ATOM 148 O ARG A 10 -3.558 -6.298 11.755 1.00 13.32 O ATOM 149 CB ARG A 10 -3.809 -8.182 9.694 1.00 43.13 C ATOM 150 CG ARG A 10 -4.375 -9.048 8.544 1.00 20.12 C ATOM 151 CD ARG A 10 -5.843 -8.709 8.233 1.00 2.41 C ATOM 152 NE ARG A 10 -6.379 -9.515 7.128 1.00 11.44 N ATOM 153 CZ ARG A 10 -7.650 -9.757 6.905 1.00 62.44 C ATOM 154 NH1 ARG A 10 -8.571 -9.398 7.744 1.00 0.51 N ATOM 155 NH2 ARG A 10 -7.986 -10.386 5.833 1.00 64.13 N ATOM 0 H ARG A 10 -1.631 -6.844 8.876 1.00 62.24 H new ATOM 0 HA ARG A 10 -4.568 -6.371 8.793 1.00 53.31 H new ATOM 0 HB2 ARG A 10 -2.827 -8.564 9.971 1.00 43.13 H new ATOM 0 HB3 ARG A 10 -4.452 -8.293 10.567 1.00 43.13 H new ATOM 0 HG2 ARG A 10 -3.772 -8.900 7.648 1.00 20.12 H new ATOM 0 HG3 ARG A 10 -4.295 -10.102 8.811 1.00 20.12 H new ATOM 0 HD2 ARG A 10 -6.448 -8.871 9.125 1.00 2.41 H new ATOM 0 HD3 ARG A 10 -5.924 -7.652 7.981 1.00 2.41 H new ATOM 0 HE ARG A 10 -5.706 -9.922 6.478 1.00 11.44 H new ATOM 0 HH11 ARG A 10 -8.316 -8.914 8.605 1.00 0.51 H new ATOM 0 HH12 ARG A 10 -9.550 -9.600 7.543 1.00 0.51 H new ATOM 0 HH21 ARG A 10 -7.269 -10.688 5.173 1.00 64.13 H new ATOM 0 HH22 ARG A 10 -8.969 -10.582 5.644 1.00 64.13 H new ATOM 169 N GLU A 11 -3.714 -4.460 10.406 1.00 74.31 N ATOM 170 CA GLU A 11 -3.796 -3.439 11.481 1.00 62.32 C ATOM 171 C GLU A 11 -3.973 -2.027 10.886 1.00 12.33 C ATOM 172 O GLU A 11 -3.877 -1.831 9.667 1.00 10.43 O ATOM 173 CB GLU A 11 -2.521 -3.455 12.386 1.00 62.42 C ATOM 174 CG GLU A 11 -1.211 -3.072 11.666 1.00 71.33 C ATOM 175 CD GLU A 11 0.005 -3.083 12.606 1.00 4.22 C ATOM 176 OE1 GLU A 11 0.171 -2.123 13.386 1.00 64.34 O ATOM 177 OE2 GLU A 11 0.776 -4.066 12.603 1.00 5.14 O ATOM 0 H GLU A 11 -3.711 -4.057 9.469 1.00 74.31 H new ATOM 0 HA GLU A 11 -4.664 -3.689 12.091 1.00 62.32 H new ATOM 0 HB2 GLU A 11 -2.675 -2.769 13.219 1.00 62.42 H new ATOM 0 HB3 GLU A 11 -2.407 -4.452 12.811 1.00 62.42 H new ATOM 0 HG2 GLU A 11 -1.036 -3.766 10.844 1.00 71.33 H new ATOM 0 HG3 GLU A 11 -1.318 -2.080 11.228 1.00 71.33 H new ATOM 184 N HIS A 12 -4.247 -1.052 11.767 1.00 42.43 N ATOM 185 CA HIS A 12 -4.156 0.378 11.427 1.00 10.12 C ATOM 186 C HIS A 12 -2.659 0.789 11.310 1.00 11.25 C ATOM 187 O HIS A 12 -1.887 0.661 12.273 1.00 34.34 O ATOM 188 CB HIS A 12 -4.924 1.242 12.471 1.00 51.33 C ATOM 189 CG HIS A 12 -4.544 1.007 13.921 1.00 3.21 C ATOM 190 ND1 HIS A 12 -3.383 1.490 14.489 1.00 62.52 N ATOM 191 CD2 HIS A 12 -5.183 0.342 14.919 1.00 71.42 C ATOM 192 CE1 HIS A 12 -3.322 1.131 15.751 1.00 73.35 C ATOM 193 NE2 HIS A 12 -4.395 0.436 16.041 1.00 71.22 N ATOM 0 H HIS A 12 -4.536 -1.230 12.729 1.00 42.43 H new ATOM 0 HA HIS A 12 -4.631 0.556 10.462 1.00 10.12 H new ATOM 0 HB2 HIS A 12 -4.760 2.294 12.237 1.00 51.33 H new ATOM 0 HB3 HIS A 12 -5.992 1.053 12.358 1.00 51.33 H new ATOM 0 HD1 HIS A 12 -2.678 2.043 14.002 1.00 62.52 H new ATOM 0 HD2 HIS A 12 -6.133 -0.166 14.844 1.00 71.42 H new ATOM 0 HE1 HIS A 12 -2.521 1.369 16.436 1.00 73.35 H new ATOM 202 N VAL A 13 -2.246 1.247 10.118 1.00 12.23 N ATOM 203 CA VAL A 13 -0.825 1.524 9.813 1.00 41.42 C ATOM 204 C VAL A 13 -0.490 3.019 10.011 1.00 43.52 C ATOM 205 O VAL A 13 -0.818 3.847 9.166 1.00 34.03 O ATOM 206 CB VAL A 13 -0.474 1.086 8.343 1.00 51.21 C ATOM 207 CG1 VAL A 13 1.033 1.293 8.019 1.00 54.23 C ATOM 208 CG2 VAL A 13 -0.913 -0.374 8.091 1.00 73.04 C ATOM 0 H VAL A 13 -2.879 1.436 9.341 1.00 12.23 H new ATOM 0 HA VAL A 13 -0.221 0.941 10.509 1.00 41.42 H new ATOM 0 HB VAL A 13 -1.032 1.730 7.663 1.00 51.21 H new ATOM 0 HG11 VAL A 13 1.232 0.978 6.995 1.00 54.23 H new ATOM 0 HG12 VAL A 13 1.288 2.347 8.130 1.00 54.23 H new ATOM 0 HG13 VAL A 13 1.637 0.699 8.705 1.00 54.23 H new ATOM 0 HG21 VAL A 13 -0.662 -0.658 7.069 1.00 73.04 H new ATOM 0 HG22 VAL A 13 -0.398 -1.034 8.788 1.00 73.04 H new ATOM 0 HG23 VAL A 13 -1.990 -0.461 8.237 1.00 73.04 H new ATOM 218 N PHE A 14 0.166 3.360 11.135 1.00 13.14 N ATOM 219 CA PHE A 14 0.628 4.740 11.397 1.00 33.24 C ATOM 220 C PHE A 14 2.055 4.923 10.844 1.00 1.53 C ATOM 221 O PHE A 14 3.006 4.313 11.339 1.00 42.54 O ATOM 222 CB PHE A 14 0.588 5.060 12.916 1.00 5.33 C ATOM 223 CG PHE A 14 0.914 6.519 13.263 1.00 43.41 C ATOM 224 CD1 PHE A 14 -0.077 7.500 13.224 1.00 10.30 C ATOM 225 CD2 PHE A 14 2.209 6.910 13.623 1.00 2.23 C ATOM 226 CE1 PHE A 14 0.212 8.816 13.532 1.00 11.32 C ATOM 227 CE2 PHE A 14 2.496 8.227 13.930 1.00 21.12 C ATOM 228 CZ PHE A 14 1.497 9.180 13.885 1.00 63.23 C ATOM 0 H PHE A 14 0.390 2.699 11.879 1.00 13.14 H new ATOM 0 HA PHE A 14 -0.043 5.435 10.892 1.00 33.24 H new ATOM 0 HB2 PHE A 14 -0.404 4.820 13.300 1.00 5.33 H new ATOM 0 HB3 PHE A 14 1.295 4.410 13.431 1.00 5.33 H new ATOM 0 HD1 PHE A 14 -1.085 7.227 12.949 1.00 10.30 H new ATOM 0 HD2 PHE A 14 2.996 6.171 13.662 1.00 2.23 H new ATOM 0 HE1 PHE A 14 -0.569 9.562 13.497 1.00 11.32 H new ATOM 0 HE2 PHE A 14 3.501 8.511 14.205 1.00 21.12 H new ATOM 0 HZ PHE A 14 1.720 10.209 14.126 1.00 63.23 H new ATOM 238 N VAL A 15 2.187 5.751 9.807 1.00 1.14 N ATOM 239 CA VAL A 15 3.486 6.124 9.231 1.00 4.35 C ATOM 240 C VAL A 15 3.872 7.543 9.699 1.00 54.33 C ATOM 241 O VAL A 15 3.143 8.504 9.445 1.00 61.21 O ATOM 242 CB VAL A 15 3.444 6.075 7.657 1.00 4.01 C ATOM 243 CG1 VAL A 15 4.826 6.418 7.036 1.00 70.11 C ATOM 244 CG2 VAL A 15 2.929 4.700 7.160 1.00 41.04 C ATOM 0 H VAL A 15 1.393 6.186 9.338 1.00 1.14 H new ATOM 0 HA VAL A 15 4.232 5.407 9.574 1.00 4.35 H new ATOM 0 HB VAL A 15 2.742 6.838 7.322 1.00 4.01 H new ATOM 0 HG11 VAL A 15 4.758 6.374 5.949 1.00 70.11 H new ATOM 0 HG12 VAL A 15 5.123 7.422 7.340 1.00 70.11 H new ATOM 0 HG13 VAL A 15 5.569 5.699 7.382 1.00 70.11 H new ATOM 0 HG21 VAL A 15 2.909 4.691 6.070 1.00 41.04 H new ATOM 0 HG22 VAL A 15 3.592 3.912 7.517 1.00 41.04 H new ATOM 0 HG23 VAL A 15 1.923 4.528 7.543 1.00 41.04 H new ATOM 254 N HIS A 16 4.992 7.659 10.425 1.00 44.31 N ATOM 255 CA HIS A 16 5.639 8.958 10.688 1.00 31.54 C ATOM 256 C HIS A 16 6.596 9.280 9.519 1.00 33.44 C ATOM 257 O HIS A 16 7.496 8.496 9.217 1.00 3.52 O ATOM 258 CB HIS A 16 6.405 8.939 12.037 1.00 51.13 C ATOM 259 CG HIS A 16 7.210 10.192 12.313 1.00 23.33 C ATOM 260 ND1 HIS A 16 8.589 10.223 12.304 1.00 50.21 N ATOM 261 CD2 HIS A 16 6.819 11.461 12.581 1.00 3.50 C ATOM 262 CE1 HIS A 16 9.008 11.445 12.551 1.00 32.45 C ATOM 263 NE2 HIS A 16 7.957 12.216 12.721 1.00 24.31 N ATOM 0 H HIS A 16 5.474 6.864 10.845 1.00 44.31 H new ATOM 0 HA HIS A 16 4.876 9.733 10.762 1.00 31.54 H new ATOM 0 HB2 HIS A 16 5.689 8.795 12.846 1.00 51.13 H new ATOM 0 HB3 HIS A 16 7.076 8.080 12.049 1.00 51.13 H new ATOM 0 HD2 HIS A 16 5.802 11.813 12.668 1.00 3.50 H new ATOM 0 HE1 HIS A 16 10.039 11.761 12.605 1.00 32.45 H new ATOM 0 HE2 HIS A 16 7.983 13.215 12.924 1.00 24.31 H new ATOM 272 N ALA A 17 6.390 10.427 8.873 1.00 34.23 N ATOM 273 CA ALA A 17 7.172 10.859 7.699 1.00 64.50 C ATOM 274 C ALA A 17 7.675 12.303 7.862 1.00 62.05 C ATOM 275 O ALA A 17 7.143 13.066 8.660 1.00 33.24 O ATOM 276 CB ALA A 17 6.301 10.731 6.446 1.00 4.55 C ATOM 0 H ALA A 17 5.669 11.095 9.147 1.00 34.23 H new ATOM 0 HA ALA A 17 8.049 10.219 7.604 1.00 64.50 H new ATOM 0 HB1 ALA A 17 6.871 11.048 5.573 1.00 4.55 H new ATOM 0 HB2 ALA A 17 5.994 9.693 6.321 1.00 4.55 H new ATOM 0 HB3 ALA A 17 5.418 11.361 6.551 1.00 4.55 H new ATOM 282 N ILE A 18 8.731 12.647 7.111 1.00 53.15 N ATOM 283 CA ILE A 18 9.284 14.023 7.008 1.00 0.14 C ATOM 284 C ILE A 18 9.480 14.349 5.497 1.00 34.22 C ATOM 285 O ILE A 18 9.482 13.434 4.663 1.00 20.02 O ATOM 286 CB ILE A 18 10.658 14.149 7.809 1.00 63.50 C ATOM 287 CG1 ILE A 18 10.499 13.724 9.309 1.00 75.15 C ATOM 288 CG2 ILE A 18 11.276 15.569 7.721 1.00 63.31 C ATOM 289 CD1 ILE A 18 9.594 14.620 10.150 1.00 12.31 C ATOM 0 H ILE A 18 9.241 11.970 6.544 1.00 53.15 H new ATOM 0 HA ILE A 18 8.594 14.738 7.455 1.00 0.14 H new ATOM 0 HB ILE A 18 11.347 13.459 7.323 1.00 63.50 H new ATOM 0 HG12 ILE A 18 10.107 12.707 9.342 1.00 75.15 H new ATOM 0 HG13 ILE A 18 11.487 13.700 9.769 1.00 75.15 H new ATOM 0 HG21 ILE A 18 12.209 15.595 8.284 1.00 63.31 H new ATOM 0 HG22 ILE A 18 11.475 15.815 6.678 1.00 63.31 H new ATOM 0 HG23 ILE A 18 10.579 16.296 8.139 1.00 63.31 H new ATOM 0 HD11 ILE A 18 9.552 14.239 11.170 1.00 12.31 H new ATOM 0 HD12 ILE A 18 9.992 15.635 10.158 1.00 12.31 H new ATOM 0 HD13 ILE A 18 8.591 14.627 9.723 1.00 12.31 H new ATOM 301 N THR A 19 9.631 15.641 5.152 1.00 72.44 N ATOM 302 CA THR A 19 9.831 16.110 3.749 1.00 63.30 C ATOM 303 C THR A 19 11.053 15.450 3.044 1.00 33.13 C ATOM 304 O THR A 19 11.020 15.192 1.835 1.00 52.34 O ATOM 305 CB THR A 19 10.004 17.662 3.701 1.00 53.05 C ATOM 306 OG1 THR A 19 11.172 18.053 4.448 1.00 51.10 O ATOM 307 CG2 THR A 19 8.774 18.392 4.267 1.00 54.14 C ATOM 0 H THR A 19 9.619 16.400 5.834 1.00 72.44 H new ATOM 0 HA THR A 19 8.933 15.809 3.210 1.00 63.30 H new ATOM 0 HB THR A 19 10.118 17.944 2.654 1.00 53.05 H new ATOM 0 HG1 THR A 19 11.273 19.027 4.411 1.00 51.10 H new ATOM 0 HG21 THR A 19 8.934 19.469 4.216 1.00 54.14 H new ATOM 0 HG22 THR A 19 7.893 18.128 3.682 1.00 54.14 H new ATOM 0 HG23 THR A 19 8.622 18.097 5.305 1.00 54.14 H new ATOM 315 N SER A 20 12.126 15.185 3.818 1.00 64.03 N ATOM 316 CA SER A 20 13.373 14.548 3.302 1.00 62.34 C ATOM 317 C SER A 20 13.389 13.014 3.546 1.00 12.51 C ATOM 318 O SER A 20 14.454 12.388 3.533 1.00 64.41 O ATOM 319 CB SER A 20 14.605 15.223 3.964 1.00 63.04 C ATOM 320 OG SER A 20 14.612 16.631 3.741 1.00 1.01 O ATOM 0 H SER A 20 12.161 15.402 4.814 1.00 64.03 H new ATOM 0 HA SER A 20 13.410 14.694 2.223 1.00 62.34 H new ATOM 0 HB2 SER A 20 14.599 15.023 5.036 1.00 63.04 H new ATOM 0 HB3 SER A 20 15.520 14.786 3.564 1.00 63.04 H new ATOM 0 HG SER A 20 15.399 17.026 4.171 1.00 1.01 H new ATOM 326 N GLU A 21 12.202 12.411 3.757 1.00 51.31 N ATOM 327 CA GLU A 21 12.049 10.938 3.921 1.00 3.23 C ATOM 328 C GLU A 21 11.390 10.297 2.682 1.00 63.44 C ATOM 329 O GLU A 21 10.742 10.977 1.882 1.00 32.12 O ATOM 330 CB GLU A 21 11.220 10.605 5.198 1.00 1.20 C ATOM 331 CG GLU A 21 11.905 10.986 6.525 1.00 20.34 C ATOM 332 CD GLU A 21 13.288 10.339 6.730 1.00 24.13 C ATOM 333 OE1 GLU A 21 13.395 9.093 6.668 1.00 63.43 O ATOM 334 OE2 GLU A 21 14.269 11.065 6.999 1.00 25.30 O ATOM 0 H GLU A 21 11.322 12.922 3.820 1.00 51.31 H new ATOM 0 HA GLU A 21 13.049 10.518 4.030 1.00 3.23 H new ATOM 0 HB2 GLU A 21 10.262 11.121 5.138 1.00 1.20 H new ATOM 0 HB3 GLU A 21 11.007 9.536 5.208 1.00 1.20 H new ATOM 0 HG2 GLU A 21 12.013 12.070 6.567 1.00 20.34 H new ATOM 0 HG3 GLU A 21 11.256 10.698 7.352 1.00 20.34 H new ATOM 341 N CYS A 22 11.566 8.972 2.545 1.00 72.24 N ATOM 342 CA CYS A 22 10.963 8.173 1.456 1.00 2.15 C ATOM 343 C CYS A 22 9.962 7.151 2.037 1.00 44.14 C ATOM 344 O CYS A 22 10.355 6.190 2.707 1.00 61.21 O ATOM 345 CB CYS A 22 12.072 7.457 0.640 1.00 42.15 C ATOM 346 SG CYS A 22 13.101 6.316 1.594 1.00 71.23 S ATOM 0 H CYS A 22 12.133 8.419 3.188 1.00 72.24 H new ATOM 0 HA CYS A 22 10.421 8.840 0.785 1.00 2.15 H new ATOM 0 HB2 CYS A 22 11.604 6.906 -0.176 1.00 42.15 H new ATOM 0 HB3 CYS A 22 12.715 8.212 0.188 1.00 42.15 H new ATOM 0 HG CYS A 22 12.407 5.824 2.577 1.00 71.23 H new ATOM 352 N VAL A 23 8.656 7.368 1.795 1.00 41.14 N ATOM 353 CA VAL A 23 7.595 6.465 2.288 1.00 1.41 C ATOM 354 C VAL A 23 7.208 5.463 1.183 1.00 33.44 C ATOM 355 O VAL A 23 6.585 5.819 0.174 1.00 23.45 O ATOM 356 CB VAL A 23 6.339 7.273 2.793 1.00 62.22 C ATOM 357 CG1 VAL A 23 5.145 6.346 3.147 1.00 64.04 C ATOM 358 CG2 VAL A 23 6.722 8.152 4.006 1.00 25.34 C ATOM 0 H VAL A 23 8.308 8.163 1.259 1.00 41.14 H new ATOM 0 HA VAL A 23 7.981 5.911 3.143 1.00 1.41 H new ATOM 0 HB VAL A 23 6.013 7.914 1.974 1.00 62.22 H new ATOM 0 HG11 VAL A 23 4.305 6.950 3.490 1.00 64.04 H new ATOM 0 HG12 VAL A 23 4.849 5.780 2.263 1.00 64.04 H new ATOM 0 HG13 VAL A 23 5.442 5.656 3.937 1.00 64.04 H new ATOM 0 HG21 VAL A 23 5.846 8.705 4.346 1.00 25.34 H new ATOM 0 HG22 VAL A 23 7.087 7.518 4.814 1.00 25.34 H new ATOM 0 HG23 VAL A 23 7.504 8.854 3.715 1.00 25.34 H new ATOM 368 N MET A 24 7.617 4.206 1.388 1.00 33.55 N ATOM 369 CA MET A 24 7.304 3.086 0.496 1.00 74.13 C ATOM 370 C MET A 24 6.269 2.166 1.178 1.00 54.32 C ATOM 371 O MET A 24 6.616 1.309 2.002 1.00 41.14 O ATOM 372 CB MET A 24 8.607 2.325 0.129 1.00 0.45 C ATOM 373 CG MET A 24 8.422 1.145 -0.826 1.00 71.22 C ATOM 374 SD MET A 24 9.987 0.328 -1.206 1.00 12.32 S ATOM 375 CE MET A 24 9.465 -0.944 -2.352 1.00 60.21 C ATOM 0 H MET A 24 8.184 3.935 2.191 1.00 33.55 H new ATOM 0 HA MET A 24 6.868 3.453 -0.433 1.00 74.13 H new ATOM 0 HB2 MET A 24 9.307 3.030 -0.320 1.00 0.45 H new ATOM 0 HB3 MET A 24 9.067 1.960 1.047 1.00 0.45 H new ATOM 0 HG2 MET A 24 7.735 0.424 -0.382 1.00 71.22 H new ATOM 0 HG3 MET A 24 7.963 1.496 -1.750 1.00 71.22 H new ATOM 0 HE1 MET A 24 10.198 -1.034 -3.154 1.00 60.21 H new ATOM 0 HE2 MET A 24 9.383 -1.896 -1.827 1.00 60.21 H new ATOM 0 HE3 MET A 24 8.496 -0.678 -2.774 1.00 60.21 H new ATOM 385 N LEU A 25 4.988 2.396 0.859 1.00 0.10 N ATOM 386 CA LEU A 25 3.861 1.608 1.389 1.00 30.23 C ATOM 387 C LEU A 25 3.761 0.248 0.669 1.00 15.44 C ATOM 388 O LEU A 25 4.173 0.119 -0.489 1.00 51.22 O ATOM 389 CB LEU A 25 2.544 2.405 1.215 1.00 0.41 C ATOM 390 CG LEU A 25 2.490 3.789 1.929 1.00 0.55 C ATOM 391 CD1 LEU A 25 1.184 4.535 1.596 1.00 64.42 C ATOM 392 CD2 LEU A 25 2.679 3.642 3.459 1.00 11.35 C ATOM 0 H LEU A 25 4.700 3.139 0.222 1.00 0.10 H new ATOM 0 HA LEU A 25 4.031 1.419 2.449 1.00 30.23 H new ATOM 0 HB2 LEU A 25 2.373 2.560 0.150 1.00 0.41 H new ATOM 0 HB3 LEU A 25 1.720 1.794 1.584 1.00 0.41 H new ATOM 0 HG LEU A 25 3.319 4.388 1.553 1.00 0.55 H new ATOM 0 HD11 LEU A 25 1.174 5.497 2.108 1.00 64.42 H new ATOM 0 HD12 LEU A 25 1.121 4.696 0.520 1.00 64.42 H new ATOM 0 HD13 LEU A 25 0.331 3.940 1.924 1.00 64.42 H new ATOM 0 HD21 LEU A 25 2.636 4.625 3.927 1.00 11.35 H new ATOM 0 HD22 LEU A 25 1.887 3.012 3.865 1.00 11.35 H new ATOM 0 HD23 LEU A 25 3.647 3.185 3.664 1.00 11.35 H new ATOM 404 N ALA A 26 3.218 -0.759 1.365 1.00 3.54 N ATOM 405 CA ALA A 26 3.075 -2.125 0.826 1.00 51.14 C ATOM 406 C ALA A 26 1.790 -2.800 1.354 1.00 14.32 C ATOM 407 O ALA A 26 1.463 -2.707 2.542 1.00 71.24 O ATOM 408 CB ALA A 26 4.323 -2.965 1.163 1.00 42.21 C ATOM 0 H ALA A 26 2.865 -0.654 2.316 1.00 3.54 H new ATOM 0 HA ALA A 26 2.988 -2.059 -0.259 1.00 51.14 H new ATOM 0 HB1 ALA A 26 4.205 -3.971 0.760 1.00 42.21 H new ATOM 0 HB2 ALA A 26 5.205 -2.499 0.723 1.00 42.21 H new ATOM 0 HB3 ALA A 26 4.443 -3.020 2.245 1.00 42.21 H new ATOM 414 N CYS A 27 1.077 -3.477 0.446 1.00 63.42 N ATOM 415 CA CYS A 27 -0.171 -4.197 0.736 1.00 74.03 C ATOM 416 C CYS A 27 -0.250 -5.473 -0.129 1.00 50.14 C ATOM 417 O CYS A 27 -0.277 -5.400 -1.365 1.00 4.25 O ATOM 418 CB CYS A 27 -1.395 -3.295 0.465 1.00 42.00 C ATOM 419 SG CYS A 27 -2.972 -4.120 0.746 1.00 2.53 S ATOM 0 H CYS A 27 1.357 -3.542 -0.533 1.00 63.42 H new ATOM 0 HA CYS A 27 -0.177 -4.476 1.790 1.00 74.03 H new ATOM 0 HB2 CYS A 27 -1.336 -2.414 1.104 1.00 42.00 H new ATOM 0 HB3 CYS A 27 -1.356 -2.944 -0.566 1.00 42.00 H new ATOM 0 HG CYS A 27 -3.943 -3.280 0.544 1.00 2.53 H new ATOM 425 N GLU A 28 -0.272 -6.638 0.529 1.00 63.25 N ATOM 426 CA GLU A 28 -0.333 -7.951 -0.138 1.00 41.41 C ATOM 427 C GLU A 28 -1.724 -8.599 0.065 1.00 74.42 C ATOM 428 O GLU A 28 -2.216 -8.680 1.193 1.00 5.24 O ATOM 429 CB GLU A 28 0.775 -8.865 0.440 1.00 62.42 C ATOM 430 CG GLU A 28 0.997 -10.183 -0.325 1.00 24.32 C ATOM 431 CD GLU A 28 2.027 -11.102 0.353 1.00 60.44 C ATOM 432 OE1 GLU A 28 3.169 -10.651 0.596 1.00 55.14 O ATOM 433 OE2 GLU A 28 1.705 -12.275 0.637 1.00 63.10 O ATOM 0 H GLU A 28 -0.248 -6.700 1.547 1.00 63.25 H new ATOM 0 HA GLU A 28 -0.175 -7.819 -1.208 1.00 41.41 H new ATOM 0 HB2 GLU A 28 1.712 -8.309 0.455 1.00 62.42 H new ATOM 0 HB3 GLU A 28 0.527 -9.101 1.475 1.00 62.42 H new ATOM 0 HG2 GLU A 28 0.048 -10.711 -0.412 1.00 24.32 H new ATOM 0 HG3 GLU A 28 1.330 -9.958 -1.338 1.00 24.32 H new ATOM 440 N VAL A 29 -2.351 -9.059 -1.031 1.00 12.02 N ATOM 441 CA VAL A 29 -3.656 -9.770 -0.985 1.00 73.42 C ATOM 442 C VAL A 29 -3.471 -11.302 -0.973 1.00 74.05 C ATOM 443 O VAL A 29 -2.373 -11.818 -1.218 1.00 3.53 O ATOM 444 CB VAL A 29 -4.589 -9.372 -2.193 1.00 35.13 C ATOM 445 CG1 VAL A 29 -5.062 -7.914 -2.070 1.00 44.03 C ATOM 446 CG2 VAL A 29 -3.884 -9.611 -3.551 1.00 11.40 C ATOM 0 H VAL A 29 -1.976 -8.953 -1.974 1.00 12.02 H new ATOM 0 HA VAL A 29 -4.134 -9.461 -0.056 1.00 73.42 H new ATOM 0 HB VAL A 29 -5.468 -10.016 -2.156 1.00 35.13 H new ATOM 0 HG11 VAL A 29 -5.703 -7.667 -2.916 1.00 44.03 H new ATOM 0 HG12 VAL A 29 -5.621 -7.790 -1.142 1.00 44.03 H new ATOM 0 HG13 VAL A 29 -4.197 -7.250 -2.064 1.00 44.03 H new ATOM 0 HG21 VAL A 29 -4.553 -9.327 -4.363 1.00 11.40 H new ATOM 0 HG22 VAL A 29 -2.977 -9.009 -3.601 1.00 11.40 H new ATOM 0 HG23 VAL A 29 -3.625 -10.666 -3.646 1.00 11.40 H new ATOM 456 N ASP A 30 -4.577 -12.005 -0.687 1.00 63.20 N ATOM 457 CA ASP A 30 -4.642 -13.478 -0.691 1.00 21.13 C ATOM 458 C ASP A 30 -4.560 -14.063 -2.123 1.00 4.25 C ATOM 459 O ASP A 30 -3.873 -15.062 -2.358 1.00 24.04 O ATOM 460 CB ASP A 30 -5.942 -13.957 0.033 1.00 30.42 C ATOM 461 CG ASP A 30 -7.282 -13.443 -0.561 1.00 41.14 C ATOM 462 OD1 ASP A 30 -7.312 -12.368 -1.210 1.00 22.43 O ATOM 463 OD2 ASP A 30 -8.325 -14.102 -0.351 1.00 54.12 O ATOM 0 H ASP A 30 -5.463 -11.563 -0.443 1.00 63.20 H new ATOM 0 HA ASP A 30 -3.773 -13.851 -0.149 1.00 21.13 H new ATOM 0 HB2 ASP A 30 -5.958 -15.047 0.024 1.00 30.42 H new ATOM 0 HB3 ASP A 30 -5.888 -13.647 1.077 1.00 30.42 H new ATOM 468 N ARG A 31 -5.255 -13.416 -3.075 1.00 20.23 N ATOM 469 CA ARG A 31 -5.389 -13.915 -4.463 1.00 21.10 C ATOM 470 C ARG A 31 -4.669 -12.989 -5.461 1.00 50.12 C ATOM 471 O ARG A 31 -4.930 -11.787 -5.498 1.00 70.23 O ATOM 472 CB ARG A 31 -6.882 -14.035 -4.865 1.00 55.52 C ATOM 473 CG ARG A 31 -7.763 -14.798 -3.851 1.00 54.51 C ATOM 474 CD ARG A 31 -9.174 -15.083 -4.384 1.00 33.11 C ATOM 475 NE ARG A 31 -9.810 -13.877 -4.940 1.00 51.15 N ATOM 476 CZ ARG A 31 -10.139 -13.698 -6.202 1.00 40.24 C ATOM 477 NH1 ARG A 31 -9.957 -14.630 -7.081 1.00 33.41 N ATOM 478 NH2 ARG A 31 -10.649 -12.581 -6.577 1.00 5.14 N ATOM 0 H ARG A 31 -5.740 -12.534 -2.909 1.00 20.23 H new ATOM 0 HA ARG A 31 -4.925 -14.901 -4.497 1.00 21.10 H new ATOM 0 HB2 ARG A 31 -7.290 -13.033 -4.999 1.00 55.52 H new ATOM 0 HB3 ARG A 31 -6.945 -14.537 -5.831 1.00 55.52 H new ATOM 0 HG2 ARG A 31 -7.280 -15.741 -3.594 1.00 54.51 H new ATOM 0 HG3 ARG A 31 -7.837 -14.217 -2.932 1.00 54.51 H new ATOM 0 HD2 ARG A 31 -9.122 -15.853 -5.154 1.00 33.11 H new ATOM 0 HD3 ARG A 31 -9.792 -15.480 -3.579 1.00 33.11 H new ATOM 0 HE ARG A 31 -10.013 -13.116 -4.292 1.00 51.15 H new ATOM 0 HH11 ARG A 31 -9.552 -15.523 -6.801 1.00 33.41 H new ATOM 0 HH12 ARG A 31 -10.219 -14.471 -8.054 1.00 33.41 H new ATOM 0 HH21 ARG A 31 -10.798 -11.835 -5.898 1.00 5.14 H new ATOM 0 HH22 ARG A 31 -10.905 -12.440 -7.554 1.00 5.14 H new ATOM 492 N GLU A 32 -3.814 -13.584 -6.304 1.00 75.44 N ATOM 493 CA GLU A 32 -3.120 -12.883 -7.411 1.00 34.24 C ATOM 494 C GLU A 32 -4.157 -12.283 -8.419 1.00 61.50 C ATOM 495 O GLU A 32 -3.886 -11.289 -9.102 1.00 65.44 O ATOM 496 CB GLU A 32 -2.147 -13.905 -8.086 1.00 33.33 C ATOM 497 CG GLU A 32 -1.087 -13.333 -9.068 1.00 10.11 C ATOM 498 CD GLU A 32 -1.608 -13.001 -10.480 1.00 13.52 C ATOM 499 OE1 GLU A 32 -2.365 -13.817 -11.048 1.00 2.24 O ATOM 500 OE2 GLU A 32 -1.254 -11.938 -11.034 1.00 41.34 O ATOM 0 H GLU A 32 -3.578 -14.574 -6.242 1.00 75.44 H new ATOM 0 HA GLU A 32 -2.542 -12.038 -7.037 1.00 34.24 H new ATOM 0 HB2 GLU A 32 -1.621 -14.443 -7.297 1.00 33.33 H new ATOM 0 HB3 GLU A 32 -2.747 -14.637 -8.626 1.00 33.33 H new ATOM 0 HG2 GLU A 32 -0.664 -12.428 -8.633 1.00 10.11 H new ATOM 0 HG3 GLU A 32 -0.274 -14.053 -9.159 1.00 10.11 H new ATOM 507 N ASP A 33 -5.357 -12.901 -8.448 1.00 52.44 N ATOM 508 CA ASP A 33 -6.511 -12.497 -9.291 1.00 3.44 C ATOM 509 C ASP A 33 -7.008 -11.057 -8.987 1.00 73.13 C ATOM 510 O ASP A 33 -7.429 -10.339 -9.901 1.00 45.41 O ATOM 511 CB ASP A 33 -7.703 -13.459 -9.038 1.00 50.43 C ATOM 512 CG ASP A 33 -7.402 -14.951 -9.255 1.00 44.32 C ATOM 513 OD1 ASP A 33 -6.466 -15.481 -8.614 1.00 71.13 O ATOM 514 OD2 ASP A 33 -8.150 -15.622 -9.994 1.00 11.13 O ATOM 0 H ASP A 33 -5.559 -13.718 -7.871 1.00 52.44 H new ATOM 0 HA ASP A 33 -6.165 -12.536 -10.324 1.00 3.44 H new ATOM 0 HB2 ASP A 33 -8.049 -13.321 -8.014 1.00 50.43 H new ATOM 0 HB3 ASP A 33 -8.525 -13.172 -9.694 1.00 50.43 H new ATOM 519 N ALA A 34 -6.977 -10.660 -7.695 1.00 44.44 N ATOM 520 CA ALA A 34 -7.604 -9.400 -7.217 1.00 65.14 C ATOM 521 C ALA A 34 -6.571 -8.448 -6.545 1.00 4.40 C ATOM 522 O ALA A 34 -6.437 -8.448 -5.316 1.00 20.23 O ATOM 523 CB ALA A 34 -8.767 -9.735 -6.264 1.00 4.14 C ATOM 0 H ALA A 34 -6.521 -11.197 -6.957 1.00 44.44 H new ATOM 0 HA ALA A 34 -7.995 -8.862 -8.080 1.00 65.14 H new ATOM 0 HB1 ALA A 34 -9.227 -8.811 -5.913 1.00 4.14 H new ATOM 0 HB2 ALA A 34 -9.510 -10.333 -6.792 1.00 4.14 H new ATOM 0 HB3 ALA A 34 -8.388 -10.298 -5.411 1.00 4.14 H new ATOM 529 N PRO A 35 -5.804 -7.637 -7.355 1.00 72.22 N ATOM 530 CA PRO A 35 -4.844 -6.625 -6.827 1.00 21.33 C ATOM 531 C PRO A 35 -5.554 -5.368 -6.244 1.00 71.41 C ATOM 532 O PRO A 35 -6.595 -4.946 -6.768 1.00 13.33 O ATOM 533 CB PRO A 35 -3.988 -6.259 -8.087 1.00 52.23 C ATOM 534 CG PRO A 35 -4.355 -7.273 -9.130 1.00 12.31 C ATOM 535 CD PRO A 35 -5.782 -7.644 -8.838 1.00 12.52 C ATOM 0 HA PRO A 35 -4.256 -7.010 -5.994 1.00 21.33 H new ATOM 0 HB2 PRO A 35 -4.206 -5.247 -8.429 1.00 52.23 H new ATOM 0 HB3 PRO A 35 -2.922 -6.296 -7.862 1.00 52.23 H new ATOM 0 HG2 PRO A 35 -4.254 -6.859 -10.133 1.00 12.31 H new ATOM 0 HG3 PRO A 35 -3.703 -8.145 -9.077 1.00 12.31 H new ATOM 0 HD2 PRO A 35 -6.485 -6.926 -9.260 1.00 12.52 H new ATOM 0 HD3 PRO A 35 -6.041 -8.621 -9.245 1.00 12.52 H new ATOM 543 N VAL A 36 -4.992 -4.773 -5.164 1.00 33.32 N ATOM 544 CA VAL A 36 -5.544 -3.520 -4.580 1.00 30.10 C ATOM 545 C VAL A 36 -5.171 -2.284 -5.425 1.00 3.24 C ATOM 546 O VAL A 36 -4.136 -2.257 -6.106 1.00 32.11 O ATOM 547 CB VAL A 36 -5.083 -3.259 -3.085 1.00 33.34 C ATOM 548 CG1 VAL A 36 -5.429 -4.441 -2.174 1.00 12.11 C ATOM 549 CG2 VAL A 36 -3.581 -2.909 -2.975 1.00 34.23 C ATOM 0 H VAL A 36 -4.168 -5.132 -4.683 1.00 33.32 H new ATOM 0 HA VAL A 36 -6.624 -3.668 -4.583 1.00 30.10 H new ATOM 0 HB VAL A 36 -5.642 -2.387 -2.745 1.00 33.34 H new ATOM 0 HG11 VAL A 36 -5.098 -4.226 -1.158 1.00 12.11 H new ATOM 0 HG12 VAL A 36 -6.507 -4.600 -2.179 1.00 12.11 H new ATOM 0 HG13 VAL A 36 -4.928 -5.339 -2.537 1.00 12.11 H new ATOM 0 HG21 VAL A 36 -3.322 -2.741 -1.930 1.00 34.23 H new ATOM 0 HG22 VAL A 36 -2.986 -3.733 -3.368 1.00 34.23 H new ATOM 0 HG23 VAL A 36 -3.375 -2.006 -3.550 1.00 34.23 H new ATOM 559 N ARG A 37 -6.035 -1.267 -5.374 1.00 20.34 N ATOM 560 CA ARG A 37 -5.736 0.072 -5.903 1.00 72.35 C ATOM 561 C ARG A 37 -5.453 1.016 -4.721 1.00 72.45 C ATOM 562 O ARG A 37 -6.176 0.997 -3.725 1.00 62.34 O ATOM 563 CB ARG A 37 -6.919 0.603 -6.755 1.00 41.35 C ATOM 564 CG ARG A 37 -7.356 -0.353 -7.882 1.00 40.24 C ATOM 565 CD ARG A 37 -8.365 0.280 -8.856 1.00 42.24 C ATOM 566 NE ARG A 37 -9.635 0.649 -8.203 1.00 0.02 N ATOM 567 CZ ARG A 37 -10.799 0.742 -8.808 1.00 4.21 C ATOM 568 NH1 ARG A 37 -10.916 0.537 -10.083 1.00 34.14 N ATOM 569 NH2 ARG A 37 -11.847 1.062 -8.127 1.00 14.11 N ATOM 0 H ARG A 37 -6.966 -1.346 -4.964 1.00 20.34 H new ATOM 0 HA ARG A 37 -4.861 0.022 -6.551 1.00 72.35 H new ATOM 0 HB2 ARG A 37 -7.770 0.790 -6.100 1.00 41.35 H new ATOM 0 HB3 ARG A 37 -6.637 1.561 -7.193 1.00 41.35 H new ATOM 0 HG2 ARG A 37 -6.476 -0.674 -8.439 1.00 40.24 H new ATOM 0 HG3 ARG A 37 -7.798 -1.246 -7.441 1.00 40.24 H new ATOM 0 HD2 ARG A 37 -7.921 1.168 -9.305 1.00 42.24 H new ATOM 0 HD3 ARG A 37 -8.568 -0.420 -9.667 1.00 42.24 H new ATOM 0 HE ARG A 37 -9.608 0.848 -7.203 1.00 0.02 H new ATOM 0 HH11 ARG A 37 -10.095 0.298 -10.639 1.00 34.14 H new ATOM 0 HH12 ARG A 37 -11.829 0.615 -10.530 1.00 34.14 H new ATOM 0 HH21 ARG A 37 -11.770 1.241 -7.126 1.00 14.11 H new ATOM 0 HH22 ARG A 37 -12.753 1.136 -8.590 1.00 14.11 H new ATOM 583 N TRP A 38 -4.409 1.836 -4.842 1.00 61.42 N ATOM 584 CA TRP A 38 -4.018 2.802 -3.795 1.00 2.52 C ATOM 585 C TRP A 38 -4.825 4.103 -3.971 1.00 71.22 C ATOM 586 O TRP A 38 -4.961 4.590 -5.087 1.00 20.04 O ATOM 587 CB TRP A 38 -2.496 3.091 -3.896 1.00 43.34 C ATOM 588 CG TRP A 38 -1.617 1.915 -3.534 1.00 10.22 C ATOM 589 CD1 TRP A 38 -1.026 1.013 -4.380 1.00 1.33 C ATOM 590 CD2 TRP A 38 -1.238 1.525 -2.209 1.00 65.45 C ATOM 591 NE1 TRP A 38 -0.293 0.104 -3.658 1.00 61.11 N ATOM 592 CE2 TRP A 38 -0.415 0.393 -2.324 1.00 72.33 C ATOM 593 CE3 TRP A 38 -1.518 2.036 -0.937 1.00 73.25 C ATOM 594 CZ2 TRP A 38 0.131 -0.241 -1.213 1.00 24.24 C ATOM 595 CZ3 TRP A 38 -0.980 1.408 0.162 1.00 21.45 C ATOM 596 CH2 TRP A 38 -0.162 0.277 0.020 1.00 31.14 C ATOM 0 H TRP A 38 -3.806 1.856 -5.665 1.00 61.42 H new ATOM 0 HA TRP A 38 -4.231 2.385 -2.811 1.00 2.52 H new ATOM 0 HB2 TRP A 38 -2.264 3.404 -4.914 1.00 43.34 H new ATOM 0 HB3 TRP A 38 -2.252 3.928 -3.241 1.00 43.34 H new ATOM 0 HD1 TRP A 38 -1.123 1.017 -5.456 1.00 1.33 H new ATOM 0 HE1 TRP A 38 0.254 -0.662 -4.051 1.00 61.11 H new ATOM 0 HE3 TRP A 38 -2.145 2.908 -0.820 1.00 73.25 H new ATOM 0 HZ2 TRP A 38 0.763 -1.110 -1.319 1.00 24.24 H new ATOM 0 HZ3 TRP A 38 -1.190 1.791 1.149 1.00 21.45 H new ATOM 0 HH2 TRP A 38 0.245 -0.195 0.902 1.00 31.14 H new ATOM 607 N TYR A 39 -5.410 4.632 -2.871 1.00 40.24 N ATOM 608 CA TYR A 39 -6.204 5.891 -2.907 1.00 71.43 C ATOM 609 C TYR A 39 -5.539 6.996 -2.068 1.00 64.32 C ATOM 610 O TYR A 39 -5.237 6.783 -0.904 1.00 73.11 O ATOM 611 CB TYR A 39 -7.668 5.640 -2.426 1.00 11.11 C ATOM 612 CG TYR A 39 -8.535 4.862 -3.432 1.00 53.01 C ATOM 613 CD1 TYR A 39 -8.226 3.550 -3.786 1.00 1.44 C ATOM 614 CD2 TYR A 39 -9.656 5.444 -4.034 1.00 25.35 C ATOM 615 CE1 TYR A 39 -8.985 2.852 -4.700 1.00 11.45 C ATOM 616 CE2 TYR A 39 -10.424 4.742 -4.947 1.00 61.00 C ATOM 617 CZ TYR A 39 -10.081 3.446 -5.272 1.00 54.53 C ATOM 618 OH TYR A 39 -10.823 2.746 -6.193 1.00 4.10 O ATOM 0 H TYR A 39 -5.349 4.209 -1.945 1.00 40.24 H new ATOM 0 HA TYR A 39 -6.237 6.231 -3.942 1.00 71.43 H new ATOM 0 HB2 TYR A 39 -7.641 5.091 -1.485 1.00 11.11 H new ATOM 0 HB3 TYR A 39 -8.141 6.600 -2.221 1.00 11.11 H new ATOM 0 HD1 TYR A 39 -7.372 3.069 -3.333 1.00 1.44 H new ATOM 0 HD2 TYR A 39 -9.927 6.459 -3.782 1.00 25.35 H new ATOM 0 HE1 TYR A 39 -8.718 1.840 -4.965 1.00 11.45 H new ATOM 0 HE2 TYR A 39 -11.286 5.206 -5.402 1.00 61.00 H new ATOM 0 HH TYR A 39 -10.437 2.868 -7.085 1.00 4.10 H new ATOM 628 N LYS A 40 -5.329 8.182 -2.681 1.00 64.02 N ATOM 629 CA LYS A 40 -4.774 9.360 -1.979 1.00 2.32 C ATOM 630 C LYS A 40 -5.949 10.178 -1.403 1.00 73.30 C ATOM 631 O LYS A 40 -6.502 11.035 -2.094 1.00 30.05 O ATOM 632 CB LYS A 40 -3.894 10.219 -2.955 1.00 64.35 C ATOM 633 CG LYS A 40 -2.754 11.037 -2.285 1.00 25.23 C ATOM 634 CD LYS A 40 -3.234 12.129 -1.295 1.00 32.32 C ATOM 635 CE LYS A 40 -2.082 12.796 -0.533 1.00 34.44 C ATOM 636 NZ LYS A 40 -2.580 13.775 0.468 1.00 65.13 N ATOM 0 H LYS A 40 -5.537 8.349 -3.666 1.00 64.02 H new ATOM 0 HA LYS A 40 -4.124 9.043 -1.163 1.00 2.32 H new ATOM 0 HB2 LYS A 40 -3.452 9.555 -3.698 1.00 64.35 H new ATOM 0 HB3 LYS A 40 -4.545 10.909 -3.491 1.00 64.35 H new ATOM 0 HG2 LYS A 40 -2.096 10.349 -1.754 1.00 25.23 H new ATOM 0 HG3 LYS A 40 -2.158 11.510 -3.065 1.00 25.23 H new ATOM 0 HD2 LYS A 40 -3.788 12.890 -1.844 1.00 32.32 H new ATOM 0 HD3 LYS A 40 -3.926 11.684 -0.580 1.00 32.32 H new ATOM 0 HE2 LYS A 40 -1.487 12.033 -0.031 1.00 34.44 H new ATOM 0 HE3 LYS A 40 -1.423 13.301 -1.239 1.00 34.44 H new ATOM 0 HZ1 LYS A 40 -1.928 14.584 0.516 1.00 65.13 H new ATOM 0 HZ2 LYS A 40 -3.525 14.108 0.188 1.00 65.13 H new ATOM 0 HZ3 LYS A 40 -2.636 13.319 1.401 1.00 65.13 H new ATOM 650 N ASP A 41 -6.330 9.874 -0.147 1.00 44.12 N ATOM 651 CA ASP A 41 -7.502 10.490 0.539 1.00 63.30 C ATOM 652 C ASP A 41 -8.812 10.406 -0.314 1.00 33.41 C ATOM 653 O ASP A 41 -9.610 11.352 -0.366 1.00 61.22 O ATOM 654 CB ASP A 41 -7.164 11.949 0.955 1.00 64.15 C ATOM 655 CG ASP A 41 -6.046 12.018 2.009 1.00 30.23 C ATOM 656 OD1 ASP A 41 -4.858 12.082 1.633 1.00 32.12 O ATOM 657 OD2 ASP A 41 -6.354 12.006 3.221 1.00 75.41 O ATOM 0 H ASP A 41 -5.837 9.192 0.430 1.00 44.12 H new ATOM 0 HA ASP A 41 -7.706 9.913 1.441 1.00 63.30 H new ATOM 0 HB2 ASP A 41 -6.863 12.514 0.073 1.00 64.15 H new ATOM 0 HB3 ASP A 41 -8.060 12.428 1.349 1.00 64.15 H new ATOM 662 N GLY A 42 -9.017 9.243 -0.972 1.00 11.21 N ATOM 663 CA GLY A 42 -10.206 9.003 -1.823 1.00 3.54 C ATOM 664 C GLY A 42 -10.016 9.368 -3.311 1.00 74.31 C ATOM 665 O GLY A 42 -10.719 8.831 -4.174 1.00 61.32 O ATOM 0 H GLY A 42 -8.373 8.453 -0.930 1.00 11.21 H new ATOM 0 HA2 GLY A 42 -10.480 7.950 -1.753 1.00 3.54 H new ATOM 0 HA3 GLY A 42 -11.043 9.577 -1.426 1.00 3.54 H new ATOM 669 N GLN A 43 -9.054 10.267 -3.606 1.00 22.33 N ATOM 670 CA GLN A 43 -8.752 10.752 -4.990 1.00 51.35 C ATOM 671 C GLN A 43 -8.283 9.611 -5.944 1.00 30.04 C ATOM 672 O GLN A 43 -8.476 9.692 -7.168 1.00 60.35 O ATOM 673 CB GLN A 43 -7.659 11.861 -4.908 1.00 11.41 C ATOM 674 CG GLN A 43 -7.172 12.429 -6.261 1.00 73.45 C ATOM 675 CD GLN A 43 -6.096 13.516 -6.136 1.00 45.21 C ATOM 676 OE1 GLN A 43 -5.294 13.521 -5.206 1.00 72.51 O ATOM 677 NE2 GLN A 43 -6.070 14.444 -7.079 1.00 22.23 N ATOM 0 H GLN A 43 -8.455 10.686 -2.894 1.00 22.33 H new ATOM 0 HA GLN A 43 -9.675 11.149 -5.411 1.00 51.35 H new ATOM 0 HB2 GLN A 43 -8.048 12.684 -4.309 1.00 11.41 H new ATOM 0 HB3 GLN A 43 -6.799 11.458 -4.374 1.00 11.41 H new ATOM 0 HG2 GLN A 43 -6.778 11.611 -6.865 1.00 73.45 H new ATOM 0 HG3 GLN A 43 -8.027 12.840 -6.799 1.00 73.45 H new ATOM 0 HE21 GLN A 43 -6.748 14.416 -7.841 1.00 22.23 H new ATOM 0 HE22 GLN A 43 -5.372 15.187 -7.044 1.00 22.23 H new ATOM 686 N GLU A 44 -7.690 8.561 -5.345 1.00 63.01 N ATOM 687 CA GLU A 44 -7.002 7.449 -6.043 1.00 62.11 C ATOM 688 C GLU A 44 -5.649 7.910 -6.638 1.00 71.43 C ATOM 689 O GLU A 44 -5.577 8.879 -7.399 1.00 1.03 O ATOM 690 CB GLU A 44 -7.880 6.722 -7.103 1.00 5.41 C ATOM 691 CG GLU A 44 -7.283 5.388 -7.607 1.00 43.01 C ATOM 692 CD GLU A 44 -8.148 4.689 -8.673 1.00 71.45 C ATOM 693 OE1 GLU A 44 -8.071 5.081 -9.859 1.00 44.12 O ATOM 694 OE2 GLU A 44 -8.903 3.755 -8.335 1.00 4.25 O ATOM 0 H GLU A 44 -7.674 8.456 -4.331 1.00 63.01 H new ATOM 0 HA GLU A 44 -6.803 6.700 -5.277 1.00 62.11 H new ATOM 0 HB2 GLU A 44 -8.863 6.529 -6.674 1.00 5.41 H new ATOM 0 HB3 GLU A 44 -8.028 7.386 -7.954 1.00 5.41 H new ATOM 0 HG2 GLU A 44 -6.293 5.576 -8.021 1.00 43.01 H new ATOM 0 HG3 GLU A 44 -7.151 4.715 -6.760 1.00 43.01 H new ATOM 701 N VAL A 45 -4.584 7.192 -6.254 1.00 41.52 N ATOM 702 CA VAL A 45 -3.198 7.488 -6.648 1.00 15.53 C ATOM 703 C VAL A 45 -2.969 7.145 -8.139 1.00 74.31 C ATOM 704 O VAL A 45 -3.238 6.019 -8.578 1.00 70.33 O ATOM 705 CB VAL A 45 -2.189 6.685 -5.745 1.00 21.42 C ATOM 706 CG1 VAL A 45 -0.721 6.981 -6.123 1.00 52.12 C ATOM 707 CG2 VAL A 45 -2.442 6.968 -4.243 1.00 70.13 C ATOM 0 H VAL A 45 -4.663 6.374 -5.650 1.00 41.52 H new ATOM 0 HA VAL A 45 -3.023 8.555 -6.508 1.00 15.53 H new ATOM 0 HB VAL A 45 -2.364 5.625 -5.926 1.00 21.42 H new ATOM 0 HG11 VAL A 45 -0.056 6.408 -5.477 1.00 52.12 H new ATOM 0 HG12 VAL A 45 -0.549 6.700 -7.162 1.00 52.12 H new ATOM 0 HG13 VAL A 45 -0.520 8.045 -5.997 1.00 52.12 H new ATOM 0 HG21 VAL A 45 -1.732 6.401 -3.641 1.00 70.13 H new ATOM 0 HG22 VAL A 45 -2.315 8.033 -4.047 1.00 70.13 H new ATOM 0 HG23 VAL A 45 -3.457 6.670 -3.983 1.00 70.13 H new ATOM 717 N GLU A 46 -2.492 8.137 -8.901 1.00 54.10 N ATOM 718 CA GLU A 46 -2.251 8.014 -10.353 1.00 3.41 C ATOM 719 C GLU A 46 -0.731 8.020 -10.647 1.00 5.34 C ATOM 720 O GLU A 46 0.046 8.651 -9.918 1.00 23.30 O ATOM 721 CB GLU A 46 -2.975 9.177 -11.086 1.00 54.11 C ATOM 722 CG GLU A 46 -2.943 9.107 -12.622 1.00 15.43 C ATOM 723 CD GLU A 46 -3.710 10.272 -13.276 1.00 53.34 C ATOM 724 OE1 GLU A 46 -3.161 11.391 -13.350 1.00 72.15 O ATOM 725 OE2 GLU A 46 -4.878 10.083 -13.686 1.00 30.03 O ATOM 0 H GLU A 46 -2.259 9.057 -8.528 1.00 54.10 H new ATOM 0 HA GLU A 46 -2.650 7.067 -10.717 1.00 3.41 H new ATOM 0 HB2 GLU A 46 -4.015 9.197 -10.761 1.00 54.11 H new ATOM 0 HB3 GLU A 46 -2.525 10.119 -10.772 1.00 54.11 H new ATOM 0 HG2 GLU A 46 -1.908 9.120 -12.963 1.00 15.43 H new ATOM 0 HG3 GLU A 46 -3.375 8.161 -12.950 1.00 15.43 H new ATOM 732 N GLU A 47 -0.329 7.314 -11.720 1.00 73.30 N ATOM 733 CA GLU A 47 1.086 7.159 -12.121 1.00 50.22 C ATOM 734 C GLU A 47 1.669 8.509 -12.617 1.00 53.33 C ATOM 735 O GLU A 47 1.208 9.069 -13.618 1.00 22.00 O ATOM 736 CB GLU A 47 1.223 6.061 -13.221 1.00 61.15 C ATOM 737 CG GLU A 47 0.664 4.659 -12.843 1.00 35.02 C ATOM 738 CD GLU A 47 -0.865 4.523 -13.021 1.00 51.34 C ATOM 739 OE1 GLU A 47 -1.319 4.283 -14.159 1.00 63.42 O ATOM 740 OE2 GLU A 47 -1.616 4.687 -12.034 1.00 74.33 O ATOM 0 H GLU A 47 -0.980 6.831 -12.339 1.00 73.30 H new ATOM 0 HA GLU A 47 1.658 6.845 -11.248 1.00 50.22 H new ATOM 0 HB2 GLU A 47 0.712 6.406 -14.120 1.00 61.15 H new ATOM 0 HB3 GLU A 47 2.278 5.956 -13.475 1.00 61.15 H new ATOM 0 HG2 GLU A 47 1.159 3.905 -13.455 1.00 35.02 H new ATOM 0 HG3 GLU A 47 0.919 4.445 -11.805 1.00 35.02 H new ATOM 747 N SER A 48 2.675 9.016 -11.890 1.00 71.34 N ATOM 748 CA SER A 48 3.302 10.333 -12.136 1.00 52.13 C ATOM 749 C SER A 48 4.846 10.213 -12.164 1.00 32.55 C ATOM 750 O SER A 48 5.405 9.126 -11.973 1.00 24.21 O ATOM 751 CB SER A 48 2.848 11.322 -11.029 1.00 71.24 C ATOM 752 OG SER A 48 3.423 12.614 -11.185 1.00 63.24 O ATOM 0 H SER A 48 3.086 8.518 -11.100 1.00 71.34 H new ATOM 0 HA SER A 48 2.985 10.707 -13.110 1.00 52.13 H new ATOM 0 HB2 SER A 48 1.761 11.407 -11.045 1.00 71.24 H new ATOM 0 HB3 SER A 48 3.122 10.921 -10.053 1.00 71.24 H new ATOM 0 HG SER A 48 3.107 13.202 -10.467 1.00 63.24 H new ATOM 758 N ASP A 49 5.515 11.352 -12.399 1.00 33.42 N ATOM 759 CA ASP A 49 6.989 11.449 -12.485 1.00 72.25 C ATOM 760 C ASP A 49 7.691 11.094 -11.140 1.00 72.42 C ATOM 761 O ASP A 49 8.730 10.423 -11.126 1.00 73.41 O ATOM 762 CB ASP A 49 7.349 12.888 -12.930 1.00 51.20 C ATOM 763 CG ASP A 49 8.854 13.137 -13.105 1.00 0.54 C ATOM 764 OD1 ASP A 49 9.454 12.545 -14.026 1.00 70.22 O ATOM 765 OD2 ASP A 49 9.442 13.922 -12.332 1.00 63.44 O ATOM 0 H ASP A 49 5.045 12.247 -12.537 1.00 33.42 H new ATOM 0 HA ASP A 49 7.348 10.720 -13.212 1.00 72.25 H new ATOM 0 HB2 ASP A 49 6.845 13.101 -13.873 1.00 51.20 H new ATOM 0 HB3 ASP A 49 6.959 13.592 -12.194 1.00 51.20 H new ATOM 770 N PHE A 50 7.103 11.560 -10.019 1.00 41.04 N ATOM 771 CA PHE A 50 7.646 11.336 -8.648 1.00 20.43 C ATOM 772 C PHE A 50 6.750 10.378 -7.816 1.00 0.05 C ATOM 773 O PHE A 50 7.142 9.936 -6.737 1.00 24.44 O ATOM 774 CB PHE A 50 7.841 12.701 -7.918 1.00 1.22 C ATOM 775 CG PHE A 50 6.579 13.570 -7.803 1.00 5.33 C ATOM 776 CD1 PHE A 50 6.135 14.338 -8.885 1.00 13.10 C ATOM 777 CD2 PHE A 50 5.838 13.623 -6.618 1.00 11.43 C ATOM 778 CE1 PHE A 50 4.998 15.121 -8.787 1.00 51.51 C ATOM 779 CE2 PHE A 50 4.701 14.409 -6.525 1.00 33.31 C ATOM 780 CZ PHE A 50 4.282 15.155 -7.608 1.00 25.00 C ATOM 0 H PHE A 50 6.239 12.102 -10.030 1.00 41.04 H new ATOM 0 HA PHE A 50 8.617 10.850 -8.748 1.00 20.43 H new ATOM 0 HB2 PHE A 50 8.221 12.507 -6.915 1.00 1.22 H new ATOM 0 HB3 PHE A 50 8.607 13.270 -8.445 1.00 1.22 H new ATOM 0 HD1 PHE A 50 6.689 14.319 -9.812 1.00 13.10 H new ATOM 0 HD2 PHE A 50 6.156 13.043 -5.764 1.00 11.43 H new ATOM 0 HE1 PHE A 50 4.671 15.706 -9.634 1.00 51.51 H new ATOM 0 HE2 PHE A 50 4.141 14.438 -5.602 1.00 33.31 H new ATOM 0 HZ PHE A 50 3.394 15.765 -7.533 1.00 25.00 H new ATOM 790 N VAL A 51 5.542 10.074 -8.321 1.00 3.43 N ATOM 791 CA VAL A 51 4.612 9.115 -7.675 1.00 22.05 C ATOM 792 C VAL A 51 4.575 7.808 -8.497 1.00 44.10 C ATOM 793 O VAL A 51 3.958 7.764 -9.562 1.00 52.31 O ATOM 794 CB VAL A 51 3.152 9.700 -7.555 1.00 32.14 C ATOM 795 CG1 VAL A 51 2.232 8.746 -6.759 1.00 43.34 C ATOM 796 CG2 VAL A 51 3.156 11.114 -6.930 1.00 53.13 C ATOM 0 H VAL A 51 5.179 10.480 -9.183 1.00 3.43 H new ATOM 0 HA VAL A 51 4.977 8.922 -6.666 1.00 22.05 H new ATOM 0 HB VAL A 51 2.753 9.788 -8.565 1.00 32.14 H new ATOM 0 HG11 VAL A 51 1.232 9.176 -6.693 1.00 43.34 H new ATOM 0 HG12 VAL A 51 2.180 7.783 -7.267 1.00 43.34 H new ATOM 0 HG13 VAL A 51 2.634 8.606 -5.756 1.00 43.34 H new ATOM 0 HG21 VAL A 51 2.133 11.485 -6.863 1.00 53.13 H new ATOM 0 HG22 VAL A 51 3.592 11.069 -5.932 1.00 53.13 H new ATOM 0 HG23 VAL A 51 3.746 11.786 -7.554 1.00 53.13 H new ATOM 806 N VAL A 52 5.253 6.749 -8.020 1.00 52.35 N ATOM 807 CA VAL A 52 5.374 5.474 -8.776 1.00 33.24 C ATOM 808 C VAL A 52 4.728 4.285 -8.014 1.00 41.32 C ATOM 809 O VAL A 52 4.958 4.084 -6.815 1.00 3.24 O ATOM 810 CB VAL A 52 6.876 5.164 -9.152 1.00 73.31 C ATOM 811 CG1 VAL A 52 7.431 6.236 -10.132 1.00 64.55 C ATOM 812 CG2 VAL A 52 7.781 5.042 -7.898 1.00 12.25 C ATOM 0 H VAL A 52 5.727 6.743 -7.117 1.00 52.35 H new ATOM 0 HA VAL A 52 4.819 5.602 -9.706 1.00 33.24 H new ATOM 0 HB VAL A 52 6.889 4.195 -9.652 1.00 73.31 H new ATOM 0 HG11 VAL A 52 8.467 6.003 -10.378 1.00 64.55 H new ATOM 0 HG12 VAL A 52 6.834 6.239 -11.044 1.00 64.55 H new ATOM 0 HG13 VAL A 52 7.382 7.218 -9.662 1.00 64.55 H new ATOM 0 HG21 VAL A 52 8.804 4.828 -8.207 1.00 12.25 H new ATOM 0 HG22 VAL A 52 7.758 5.978 -7.340 1.00 12.25 H new ATOM 0 HG23 VAL A 52 7.417 4.233 -7.264 1.00 12.25 H new ATOM 822 N LEU A 53 3.890 3.514 -8.736 1.00 63.32 N ATOM 823 CA LEU A 53 3.156 2.350 -8.189 1.00 73.12 C ATOM 824 C LEU A 53 3.799 1.030 -8.674 1.00 13.32 C ATOM 825 O LEU A 53 3.651 0.647 -9.839 1.00 22.04 O ATOM 826 CB LEU A 53 1.666 2.431 -8.622 1.00 34.14 C ATOM 827 CG LEU A 53 0.873 3.656 -8.065 1.00 42.02 C ATOM 828 CD1 LEU A 53 -0.532 3.765 -8.703 1.00 12.23 C ATOM 829 CD2 LEU A 53 0.793 3.598 -6.518 1.00 65.21 C ATOM 0 H LEU A 53 3.701 3.682 -9.724 1.00 63.32 H new ATOM 0 HA LEU A 53 3.210 2.368 -7.100 1.00 73.12 H new ATOM 0 HB2 LEU A 53 1.622 2.456 -9.711 1.00 34.14 H new ATOM 0 HB3 LEU A 53 1.162 1.518 -8.304 1.00 34.14 H new ATOM 0 HG LEU A 53 1.417 4.560 -8.340 1.00 42.02 H new ATOM 0 HD11 LEU A 53 -1.053 4.629 -8.290 1.00 12.23 H new ATOM 0 HD12 LEU A 53 -0.433 3.882 -9.782 1.00 12.23 H new ATOM 0 HD13 LEU A 53 -1.101 2.861 -8.487 1.00 12.23 H new ATOM 0 HD21 LEU A 53 0.237 4.460 -6.150 1.00 65.21 H new ATOM 0 HD22 LEU A 53 0.286 2.682 -6.214 1.00 65.21 H new ATOM 0 HD23 LEU A 53 1.800 3.611 -6.101 1.00 65.21 H new ATOM 841 N GLU A 54 4.493 0.331 -7.765 1.00 64.13 N ATOM 842 CA GLU A 54 5.239 -0.905 -8.084 1.00 74.31 C ATOM 843 C GLU A 54 4.383 -2.142 -7.739 1.00 5.34 C ATOM 844 O GLU A 54 3.934 -2.292 -6.609 1.00 74.12 O ATOM 845 CB GLU A 54 6.583 -0.910 -7.303 1.00 60.13 C ATOM 846 CG GLU A 54 7.487 0.322 -7.564 1.00 35.14 C ATOM 847 CD GLU A 54 7.995 0.432 -9.018 1.00 22.51 C ATOM 848 OE1 GLU A 54 7.318 1.063 -9.864 1.00 41.42 O ATOM 849 OE2 GLU A 54 9.076 -0.112 -9.323 1.00 42.01 O ATOM 0 H GLU A 54 4.556 0.603 -6.784 1.00 64.13 H new ATOM 0 HA GLU A 54 5.459 -0.940 -9.151 1.00 74.31 H new ATOM 0 HB2 GLU A 54 6.368 -0.966 -6.236 1.00 60.13 H new ATOM 0 HB3 GLU A 54 7.136 -1.812 -7.564 1.00 60.13 H new ATOM 0 HG2 GLU A 54 6.932 1.226 -7.315 1.00 35.14 H new ATOM 0 HG3 GLU A 54 8.345 0.279 -6.893 1.00 35.14 H new ATOM 856 N ASN A 55 4.145 -3.021 -8.717 1.00 13.31 N ATOM 857 CA ASN A 55 3.214 -4.154 -8.566 1.00 44.24 C ATOM 858 C ASN A 55 3.815 -5.455 -9.135 1.00 2.02 C ATOM 859 O ASN A 55 4.478 -5.448 -10.177 1.00 71.24 O ATOM 860 CB ASN A 55 1.840 -3.828 -9.213 1.00 65.12 C ATOM 861 CG ASN A 55 1.874 -3.490 -10.715 1.00 65.03 C ATOM 862 OD1 ASN A 55 2.795 -2.644 -11.152 1.00 55.55 O flip ATOM 863 ND2 ASN A 55 1.025 -3.940 -11.475 1.00 62.22 N flip ATOM 0 H ASN A 55 4.588 -2.972 -9.634 1.00 13.31 H new ATOM 0 HA ASN A 55 3.050 -4.316 -7.501 1.00 44.24 H new ATOM 0 HB2 ASN A 55 1.178 -4.681 -9.066 1.00 65.12 H new ATOM 0 HB3 ASN A 55 1.398 -2.986 -8.680 1.00 65.12 H new ATOM 0 HD21 ASN A 55 0.321 -4.591 -11.126 1.00 62.22 H new ATOM 0 HD22 ASN A 55 1.022 -3.664 -12.457 1.00 62.22 H new ATOM 870 N GLU A 56 3.576 -6.562 -8.414 1.00 2.05 N ATOM 871 CA GLU A 56 4.118 -7.894 -8.737 1.00 72.31 C ATOM 872 C GLU A 56 3.209 -9.006 -8.130 1.00 71.23 C ATOM 873 O GLU A 56 3.367 -9.405 -6.963 1.00 64.02 O ATOM 874 CB GLU A 56 5.592 -8.013 -8.227 1.00 61.03 C ATOM 875 CG GLU A 56 5.796 -7.555 -6.760 1.00 15.22 C ATOM 876 CD GLU A 56 7.153 -7.931 -6.150 1.00 50.24 C ATOM 877 OE1 GLU A 56 7.512 -9.129 -6.183 1.00 25.45 O ATOM 878 OE2 GLU A 56 7.833 -7.051 -5.580 1.00 0.54 O ATOM 0 H GLU A 56 2.992 -6.558 -7.578 1.00 2.05 H new ATOM 0 HA GLU A 56 4.128 -8.027 -9.819 1.00 72.31 H new ATOM 0 HB2 GLU A 56 5.914 -9.050 -8.320 1.00 61.03 H new ATOM 0 HB3 GLU A 56 6.238 -7.419 -8.874 1.00 61.03 H new ATOM 0 HG2 GLU A 56 5.680 -6.472 -6.713 1.00 15.22 H new ATOM 0 HG3 GLU A 56 5.006 -7.987 -6.146 1.00 15.22 H new ATOM 885 N GLY A 57 2.227 -9.465 -8.930 1.00 53.31 N ATOM 886 CA GLY A 57 1.268 -10.491 -8.489 1.00 12.03 C ATOM 887 C GLY A 57 0.395 -10.064 -7.285 1.00 3.10 C ATOM 888 O GLY A 57 -0.300 -9.045 -7.369 1.00 1.41 O ATOM 0 H GLY A 57 2.079 -9.140 -9.885 1.00 53.31 H new ATOM 0 HA2 GLY A 57 0.616 -10.746 -9.324 1.00 12.03 H new ATOM 0 HA3 GLY A 57 1.816 -11.395 -8.224 1.00 12.03 H new ATOM 892 N PRO A 58 0.420 -10.810 -6.128 1.00 60.10 N ATOM 893 CA PRO A 58 -0.330 -10.419 -4.899 1.00 4.43 C ATOM 894 C PRO A 58 0.217 -9.130 -4.215 1.00 74.42 C ATOM 895 O PRO A 58 -0.505 -8.456 -3.472 1.00 2.24 O ATOM 896 CB PRO A 58 -0.180 -11.659 -3.963 1.00 44.44 C ATOM 897 CG PRO A 58 0.312 -12.767 -4.854 1.00 53.23 C ATOM 898 CD PRO A 58 1.141 -12.093 -5.925 1.00 12.44 C ATOM 0 HA PRO A 58 -1.365 -10.169 -5.133 1.00 4.43 H new ATOM 0 HB2 PRO A 58 0.525 -11.460 -3.156 1.00 44.44 H new ATOM 0 HB3 PRO A 58 -1.131 -11.920 -3.499 1.00 44.44 H new ATOM 0 HG2 PRO A 58 0.908 -13.486 -4.292 1.00 53.23 H new ATOM 0 HG3 PRO A 58 -0.521 -13.317 -5.292 1.00 53.23 H new ATOM 0 HD2 PRO A 58 2.170 -11.934 -5.602 1.00 12.44 H new ATOM 0 HD3 PRO A 58 1.182 -12.685 -6.839 1.00 12.44 H new ATOM 906 N HIS A 59 1.498 -8.797 -4.486 1.00 12.21 N ATOM 907 CA HIS A 59 2.200 -7.664 -3.830 1.00 74.13 C ATOM 908 C HIS A 59 1.912 -6.334 -4.571 1.00 23.14 C ATOM 909 O HIS A 59 2.085 -6.245 -5.790 1.00 53.24 O ATOM 910 CB HIS A 59 3.726 -7.908 -3.806 1.00 70.22 C ATOM 911 CG HIS A 59 4.168 -9.212 -3.198 1.00 31.10 C ATOM 912 ND1 HIS A 59 4.946 -9.290 -2.068 1.00 42.33 N ATOM 913 CD2 HIS A 59 3.978 -10.493 -3.600 1.00 14.00 C ATOM 914 CE1 HIS A 59 5.222 -10.548 -1.810 1.00 31.22 C ATOM 915 NE2 HIS A 59 4.647 -11.298 -2.718 1.00 10.30 N ATOM 0 H HIS A 59 2.074 -9.300 -5.161 1.00 12.21 H new ATOM 0 HA HIS A 59 1.828 -7.594 -2.808 1.00 74.13 H new ATOM 0 HB2 HIS A 59 4.099 -7.860 -4.829 1.00 70.22 H new ATOM 0 HB3 HIS A 59 4.197 -7.093 -3.256 1.00 70.22 H new ATOM 0 HD2 HIS A 59 3.406 -10.818 -4.456 1.00 14.00 H new ATOM 0 HE1 HIS A 59 5.823 -10.905 -0.987 1.00 31.22 H new ATOM 0 HE2 HIS A 59 4.691 -12.316 -2.761 1.00 10.30 H new ATOM 924 N ARG A 60 1.461 -5.314 -3.825 1.00 20.42 N ATOM 925 CA ARG A 60 1.159 -3.963 -4.358 1.00 15.03 C ATOM 926 C ARG A 60 1.909 -2.906 -3.521 1.00 30.44 C ATOM 927 O ARG A 60 1.863 -2.946 -2.296 1.00 32.43 O ATOM 928 CB ARG A 60 -0.368 -3.715 -4.296 1.00 73.23 C ATOM 929 CG ARG A 60 -1.222 -4.791 -5.012 1.00 72.01 C ATOM 930 CD ARG A 60 -1.095 -4.740 -6.539 1.00 4.21 C ATOM 931 NE ARG A 60 -1.726 -3.533 -7.096 1.00 2.43 N ATOM 932 CZ ARG A 60 -1.859 -3.257 -8.376 1.00 45.13 C ATOM 933 NH1 ARG A 60 -1.429 -4.066 -9.292 1.00 13.22 N ATOM 934 NH2 ARG A 60 -2.447 -2.170 -8.734 1.00 12.02 N ATOM 0 H ARG A 60 1.292 -5.398 -2.823 1.00 20.42 H new ATOM 0 HA ARG A 60 1.486 -3.891 -5.395 1.00 15.03 H new ATOM 0 HB2 ARG A 60 -0.673 -3.663 -3.251 1.00 73.23 H new ATOM 0 HB3 ARG A 60 -0.584 -2.743 -4.740 1.00 73.23 H new ATOM 0 HG2 ARG A 60 -0.921 -5.778 -4.661 1.00 72.01 H new ATOM 0 HG3 ARG A 60 -2.268 -4.659 -4.736 1.00 72.01 H new ATOM 0 HD2 ARG A 60 -0.041 -4.762 -6.818 1.00 4.21 H new ATOM 0 HD3 ARG A 60 -1.558 -5.626 -6.973 1.00 4.21 H new ATOM 0 HE ARG A 60 -2.092 -2.851 -6.432 1.00 2.43 H new ATOM 0 HH11 ARG A 60 -0.975 -4.940 -9.028 1.00 13.22 H new ATOM 0 HH12 ARG A 60 -1.544 -3.829 -10.277 1.00 13.22 H new ATOM 0 HH21 ARG A 60 -2.807 -1.528 -8.027 1.00 12.02 H new ATOM 0 HH22 ARG A 60 -2.553 -1.950 -9.724 1.00 12.02 H new ATOM 948 N ARG A 61 2.606 -1.966 -4.181 1.00 3.00 N ATOM 949 CA ARG A 61 3.493 -0.983 -3.507 1.00 33.41 C ATOM 950 C ARG A 61 3.207 0.460 -3.984 1.00 5.42 C ATOM 951 O ARG A 61 2.839 0.685 -5.142 1.00 24.11 O ATOM 952 CB ARG A 61 4.989 -1.325 -3.790 1.00 73.44 C ATOM 953 CG ARG A 61 5.396 -2.796 -3.505 1.00 42.03 C ATOM 954 CD ARG A 61 6.820 -3.123 -4.002 1.00 52.43 C ATOM 955 NE ARG A 61 7.178 -4.544 -3.822 1.00 33.53 N ATOM 956 CZ ARG A 61 7.778 -5.060 -2.765 1.00 65.10 C ATOM 957 NH1 ARG A 61 8.045 -4.339 -1.717 1.00 23.33 N ATOM 958 NH2 ARG A 61 8.105 -6.306 -2.774 1.00 25.21 N ATOM 0 H ARG A 61 2.576 -1.860 -5.195 1.00 3.00 H new ATOM 0 HA ARG A 61 3.293 -1.042 -2.437 1.00 33.41 H new ATOM 0 HB2 ARG A 61 5.205 -1.101 -4.835 1.00 73.44 H new ATOM 0 HB3 ARG A 61 5.616 -0.668 -3.187 1.00 73.44 H new ATOM 0 HG2 ARG A 61 5.337 -2.985 -2.433 1.00 42.03 H new ATOM 0 HG3 ARG A 61 4.684 -3.466 -3.986 1.00 42.03 H new ATOM 0 HD2 ARG A 61 6.899 -2.864 -5.058 1.00 52.43 H new ATOM 0 HD3 ARG A 61 7.538 -2.502 -3.467 1.00 52.43 H new ATOM 0 HE ARG A 61 6.941 -5.183 -4.581 1.00 33.53 H new ATOM 0 HH11 ARG A 61 7.790 -3.352 -1.699 1.00 23.33 H new ATOM 0 HH12 ARG A 61 8.509 -4.761 -0.913 1.00 23.33 H new ATOM 0 HH21 ARG A 61 7.900 -6.881 -3.591 1.00 25.21 H new ATOM 0 HH22 ARG A 61 8.569 -6.717 -1.964 1.00 25.21 H new ATOM 972 N LEU A 62 3.413 1.421 -3.073 1.00 63.24 N ATOM 973 CA LEU A 62 3.341 2.870 -3.354 1.00 4.15 C ATOM 974 C LEU A 62 4.675 3.502 -2.901 1.00 55.43 C ATOM 975 O LEU A 62 4.901 3.685 -1.704 1.00 43.44 O ATOM 976 CB LEU A 62 2.118 3.491 -2.603 1.00 3.34 C ATOM 977 CG LEU A 62 1.635 4.933 -3.027 1.00 14.43 C ATOM 978 CD1 LEU A 62 0.270 5.248 -2.387 1.00 12.54 C ATOM 979 CD2 LEU A 62 2.648 6.062 -2.679 1.00 50.42 C ATOM 0 H LEU A 62 3.639 1.214 -2.100 1.00 63.24 H new ATOM 0 HA LEU A 62 3.197 3.062 -4.417 1.00 4.15 H new ATOM 0 HB2 LEU A 62 1.275 2.810 -2.720 1.00 3.34 H new ATOM 0 HB3 LEU A 62 2.360 3.520 -1.541 1.00 3.34 H new ATOM 0 HG LEU A 62 1.551 4.913 -4.114 1.00 14.43 H new ATOM 0 HD11 LEU A 62 -0.051 6.245 -2.688 1.00 12.54 H new ATOM 0 HD12 LEU A 62 -0.465 4.515 -2.718 1.00 12.54 H new ATOM 0 HD13 LEU A 62 0.359 5.207 -1.301 1.00 12.54 H new ATOM 0 HD21 LEU A 62 2.246 7.023 -3.001 1.00 50.42 H new ATOM 0 HD22 LEU A 62 2.816 6.081 -1.602 1.00 50.42 H new ATOM 0 HD23 LEU A 62 3.592 5.874 -3.190 1.00 50.42 H new ATOM 991 N VAL A 63 5.562 3.815 -3.857 1.00 40.43 N ATOM 992 CA VAL A 63 6.875 4.424 -3.556 1.00 65.14 C ATOM 993 C VAL A 63 6.827 5.963 -3.755 1.00 4.32 C ATOM 994 O VAL A 63 6.559 6.453 -4.862 1.00 63.31 O ATOM 995 CB VAL A 63 8.018 3.804 -4.443 1.00 33.43 C ATOM 996 CG1 VAL A 63 9.418 4.340 -4.027 1.00 52.13 C ATOM 997 CG2 VAL A 63 7.972 2.252 -4.423 1.00 61.42 C ATOM 0 H VAL A 63 5.397 3.657 -4.851 1.00 40.43 H new ATOM 0 HA VAL A 63 7.100 4.208 -2.512 1.00 65.14 H new ATOM 0 HB VAL A 63 7.842 4.122 -5.471 1.00 33.43 H new ATOM 0 HG11 VAL A 63 10.183 3.891 -4.661 1.00 52.13 H new ATOM 0 HG12 VAL A 63 9.442 5.424 -4.143 1.00 52.13 H new ATOM 0 HG13 VAL A 63 9.612 4.082 -2.986 1.00 52.13 H new ATOM 0 HG21 VAL A 63 8.775 1.856 -5.045 1.00 61.42 H new ATOM 0 HG22 VAL A 63 8.098 1.897 -3.400 1.00 61.42 H new ATOM 0 HG23 VAL A 63 7.011 1.911 -4.810 1.00 61.42 H new ATOM 1007 N LEU A 64 7.078 6.709 -2.665 1.00 73.55 N ATOM 1008 CA LEU A 64 7.181 8.188 -2.682 1.00 11.03 C ATOM 1009 C LEU A 64 8.613 8.597 -2.213 1.00 2.33 C ATOM 1010 O LEU A 64 8.882 8.598 -1.007 1.00 63.00 O ATOM 1011 CB LEU A 64 6.057 8.823 -1.780 1.00 74.51 C ATOM 1012 CG LEU A 64 5.331 10.088 -2.359 1.00 12.42 C ATOM 1013 CD1 LEU A 64 6.316 11.229 -2.685 1.00 73.43 C ATOM 1014 CD2 LEU A 64 4.472 9.718 -3.591 1.00 3.25 C ATOM 0 H LEU A 64 7.217 6.305 -1.739 1.00 73.55 H new ATOM 0 HA LEU A 64 7.028 8.568 -3.692 1.00 11.03 H new ATOM 0 HB2 LEU A 64 5.306 8.059 -1.581 1.00 74.51 H new ATOM 0 HB3 LEU A 64 6.500 9.092 -0.821 1.00 74.51 H new ATOM 0 HG LEU A 64 4.665 10.460 -1.580 1.00 12.42 H new ATOM 0 HD11 LEU A 64 5.766 12.082 -3.083 1.00 73.43 H new ATOM 0 HD12 LEU A 64 6.841 11.527 -1.777 1.00 73.43 H new ATOM 0 HD13 LEU A 64 7.038 10.886 -3.426 1.00 73.43 H new ATOM 0 HD21 LEU A 64 3.980 10.612 -3.973 1.00 3.25 H new ATOM 0 HD22 LEU A 64 5.111 9.296 -4.367 1.00 3.25 H new ATOM 0 HD23 LEU A 64 3.719 8.984 -3.303 1.00 3.25 H new ATOM 1026 N PRO A 65 9.561 8.916 -3.171 1.00 65.23 N ATOM 1027 CA PRO A 65 10.983 9.251 -2.842 1.00 63.12 C ATOM 1028 C PRO A 65 11.133 10.486 -1.903 1.00 22.22 C ATOM 1029 O PRO A 65 11.854 10.428 -0.903 1.00 5.01 O ATOM 1030 CB PRO A 65 11.632 9.500 -4.241 1.00 42.14 C ATOM 1031 CG PRO A 65 10.476 9.804 -5.153 1.00 40.45 C ATOM 1032 CD PRO A 65 9.333 8.953 -4.644 1.00 1.11 C ATOM 0 HA PRO A 65 11.464 8.451 -2.279 1.00 63.12 H new ATOM 0 HB2 PRO A 65 12.338 10.330 -4.207 1.00 42.14 H new ATOM 0 HB3 PRO A 65 12.185 8.625 -4.582 1.00 42.14 H new ATOM 0 HG2 PRO A 65 10.221 10.863 -5.125 1.00 40.45 H new ATOM 0 HG3 PRO A 65 10.717 9.561 -6.188 1.00 40.45 H new ATOM 0 HD2 PRO A 65 8.365 9.390 -4.890 1.00 1.11 H new ATOM 0 HD3 PRO A 65 9.351 7.954 -5.079 1.00 1.11 H new ATOM 1040 N ALA A 66 10.450 11.593 -2.239 1.00 23.00 N ATOM 1041 CA ALA A 66 10.438 12.823 -1.414 1.00 73.45 C ATOM 1042 C ALA A 66 9.011 13.078 -0.897 1.00 34.02 C ATOM 1043 O ALA A 66 8.190 13.684 -1.590 1.00 12.32 O ATOM 1044 CB ALA A 66 10.962 14.021 -2.224 1.00 73.35 C ATOM 0 H ALA A 66 9.890 11.665 -3.088 1.00 23.00 H new ATOM 0 HA ALA A 66 11.100 12.692 -0.558 1.00 73.45 H new ATOM 0 HB1 ALA A 66 10.946 14.916 -1.602 1.00 73.35 H new ATOM 0 HB2 ALA A 66 11.984 13.822 -2.548 1.00 73.35 H new ATOM 0 HB3 ALA A 66 10.328 14.175 -3.097 1.00 73.35 H new ATOM 1050 N THR A 67 8.719 12.559 0.307 1.00 33.54 N ATOM 1051 CA THR A 67 7.360 12.595 0.893 1.00 10.35 C ATOM 1052 C THR A 67 6.990 14.023 1.356 1.00 5.35 C ATOM 1053 O THR A 67 7.369 14.458 2.446 1.00 13.45 O ATOM 1054 CB THR A 67 7.223 11.580 2.081 1.00 13.04 C ATOM 1055 OG1 THR A 67 7.745 10.296 1.681 1.00 54.11 O ATOM 1056 CG2 THR A 67 5.754 11.414 2.529 1.00 73.24 C ATOM 0 H THR A 67 9.411 12.104 0.902 1.00 33.54 H new ATOM 0 HA THR A 67 6.661 12.297 0.112 1.00 10.35 H new ATOM 0 HB THR A 67 7.790 11.976 2.923 1.00 13.04 H new ATOM 0 HG1 THR A 67 8.724 10.330 1.670 1.00 54.11 H new ATOM 0 HG21 THR A 67 5.703 10.703 3.353 1.00 73.24 H new ATOM 0 HG22 THR A 67 5.362 12.377 2.856 1.00 73.24 H new ATOM 0 HG23 THR A 67 5.159 11.045 1.694 1.00 73.24 H new ATOM 1064 N GLN A 68 6.257 14.738 0.490 1.00 33.21 N ATOM 1065 CA GLN A 68 5.877 16.155 0.698 1.00 75.23 C ATOM 1066 C GLN A 68 4.802 16.298 1.811 1.00 50.24 C ATOM 1067 O GLN A 68 4.118 15.318 2.143 1.00 14.14 O ATOM 1068 CB GLN A 68 5.317 16.724 -0.640 1.00 62.33 C ATOM 1069 CG GLN A 68 6.206 16.482 -1.874 1.00 21.43 C ATOM 1070 CD GLN A 68 5.504 16.830 -3.189 1.00 31.23 C ATOM 1071 OE1 GLN A 68 5.617 17.934 -3.706 1.00 43.34 O ATOM 1072 NE2 GLN A 68 4.721 15.903 -3.707 1.00 31.52 N ATOM 0 H GLN A 68 5.905 14.351 -0.385 1.00 33.21 H new ATOM 0 HA GLN A 68 6.761 16.710 1.013 1.00 75.23 H new ATOM 0 HB2 GLN A 68 4.338 16.281 -0.824 1.00 62.33 H new ATOM 0 HB3 GLN A 68 5.165 17.797 -0.525 1.00 62.33 H new ATOM 0 HG2 GLN A 68 7.114 17.078 -1.784 1.00 21.43 H new ATOM 0 HG3 GLN A 68 6.511 15.436 -1.896 1.00 21.43 H new ATOM 0 HE21 GLN A 68 4.644 14.991 -3.257 1.00 31.52 H new ATOM 0 HE22 GLN A 68 4.193 16.099 -4.557 1.00 31.52 H new ATOM 1081 N PRO A 69 4.608 17.532 2.398 1.00 51.42 N ATOM 1082 CA PRO A 69 3.420 17.821 3.245 1.00 63.14 C ATOM 1083 C PRO A 69 2.091 17.679 2.439 1.00 2.11 C ATOM 1084 O PRO A 69 1.022 17.460 3.014 1.00 5.23 O ATOM 1085 CB PRO A 69 3.663 19.275 3.744 1.00 51.25 C ATOM 1086 CG PRO A 69 4.645 19.857 2.768 1.00 24.11 C ATOM 1087 CD PRO A 69 5.522 18.705 2.325 1.00 43.33 C ATOM 0 HA PRO A 69 3.308 17.120 4.072 1.00 63.14 H new ATOM 0 HB2 PRO A 69 2.736 19.848 3.761 1.00 51.25 H new ATOM 0 HB3 PRO A 69 4.061 19.284 4.759 1.00 51.25 H new ATOM 0 HG2 PRO A 69 4.131 20.306 1.918 1.00 24.11 H new ATOM 0 HG3 PRO A 69 5.239 20.644 3.234 1.00 24.11 H new ATOM 0 HD2 PRO A 69 5.904 18.855 1.315 1.00 43.33 H new ATOM 0 HD3 PRO A 69 6.386 18.583 2.978 1.00 43.33 H new ATOM 1095 N SER A 70 2.196 17.785 1.092 1.00 53.32 N ATOM 1096 CA SER A 70 1.095 17.479 0.145 1.00 4.33 C ATOM 1097 C SER A 70 0.649 15.993 0.245 1.00 71.23 C ATOM 1098 O SER A 70 -0.548 15.690 0.174 1.00 34.02 O ATOM 1099 CB SER A 70 1.543 17.792 -1.303 1.00 15.45 C ATOM 1100 OG SER A 70 1.964 19.143 -1.433 1.00 22.14 O ATOM 0 H SER A 70 3.053 18.087 0.629 1.00 53.32 H new ATOM 0 HA SER A 70 0.244 18.105 0.412 1.00 4.33 H new ATOM 0 HB2 SER A 70 2.358 17.126 -1.586 1.00 15.45 H new ATOM 0 HB3 SER A 70 0.720 17.598 -1.991 1.00 15.45 H new ATOM 0 HG SER A 70 2.243 19.311 -2.357 1.00 22.14 H new ATOM 1106 N ASP A 71 1.627 15.076 0.437 1.00 1.33 N ATOM 1107 CA ASP A 71 1.373 13.609 0.548 1.00 30.31 C ATOM 1108 C ASP A 71 0.991 13.174 1.994 1.00 32.53 C ATOM 1109 O ASP A 71 0.822 11.981 2.268 1.00 73.44 O ATOM 1110 CB ASP A 71 2.617 12.822 0.061 1.00 13.21 C ATOM 1111 CG ASP A 71 3.017 13.183 -1.381 1.00 73.14 C ATOM 1112 OD1 ASP A 71 2.230 12.902 -2.313 1.00 45.21 O ATOM 1113 OD2 ASP A 71 4.107 13.756 -1.581 1.00 54.14 O ATOM 0 H ASP A 71 2.613 15.325 0.520 1.00 1.33 H new ATOM 0 HA ASP A 71 0.518 13.379 -0.087 1.00 30.31 H new ATOM 0 HB2 ASP A 71 3.455 13.024 0.728 1.00 13.21 H new ATOM 0 HB3 ASP A 71 2.413 11.753 0.121 1.00 13.21 H new ATOM 1118 N GLY A 72 0.819 14.154 2.898 1.00 22.14 N ATOM 1119 CA GLY A 72 0.527 13.883 4.318 1.00 10.55 C ATOM 1120 C GLY A 72 -0.956 13.649 4.612 1.00 64.25 C ATOM 1121 O GLY A 72 -1.623 14.493 5.224 1.00 70.01 O ATOM 0 H GLY A 72 0.877 15.146 2.669 1.00 22.14 H new ATOM 0 HA2 GLY A 72 1.093 13.007 4.634 1.00 10.55 H new ATOM 0 HA3 GLY A 72 0.878 14.723 4.918 1.00 10.55 H new ATOM 1125 N GLY A 73 -1.462 12.483 4.176 1.00 33.53 N ATOM 1126 CA GLY A 73 -2.864 12.089 4.393 1.00 63.45 C ATOM 1127 C GLY A 73 -3.024 10.579 4.584 1.00 63.53 C ATOM 1128 O GLY A 73 -2.048 9.879 4.875 1.00 22.41 O ATOM 0 H GLY A 73 -0.914 11.790 3.666 1.00 33.53 H new ATOM 0 HA2 GLY A 73 -3.252 12.606 5.270 1.00 63.45 H new ATOM 0 HA3 GLY A 73 -3.465 12.410 3.542 1.00 63.45 H new ATOM 1132 N GLU A 74 -4.263 10.069 4.427 1.00 41.51 N ATOM 1133 CA GLU A 74 -4.571 8.629 4.597 1.00 54.24 C ATOM 1134 C GLU A 74 -4.739 7.917 3.234 1.00 45.02 C ATOM 1135 O GLU A 74 -5.591 8.285 2.418 1.00 75.11 O ATOM 1136 CB GLU A 74 -5.834 8.431 5.479 1.00 23.43 C ATOM 1137 CG GLU A 74 -5.684 8.987 6.908 1.00 35.05 C ATOM 1138 CD GLU A 74 -6.883 8.666 7.810 1.00 34.11 C ATOM 1139 OE1 GLU A 74 -7.911 9.364 7.721 1.00 53.11 O ATOM 1140 OE2 GLU A 74 -6.799 7.711 8.612 1.00 24.02 O ATOM 0 H GLU A 74 -5.074 10.636 4.181 1.00 41.51 H new ATOM 0 HA GLU A 74 -3.722 8.173 5.106 1.00 54.24 H new ATOM 0 HB2 GLU A 74 -6.683 8.916 4.997 1.00 23.43 H new ATOM 0 HB3 GLU A 74 -6.064 7.367 5.535 1.00 23.43 H new ATOM 0 HG2 GLU A 74 -4.779 8.577 7.357 1.00 35.05 H new ATOM 0 HG3 GLU A 74 -5.554 10.068 6.859 1.00 35.05 H new ATOM 1147 N PHE A 75 -3.897 6.896 3.013 1.00 12.04 N ATOM 1148 CA PHE A 75 -3.903 6.060 1.805 1.00 51.12 C ATOM 1149 C PHE A 75 -4.709 4.765 2.044 1.00 13.14 C ATOM 1150 O PHE A 75 -4.410 3.995 2.958 1.00 30.44 O ATOM 1151 CB PHE A 75 -2.448 5.742 1.385 1.00 34.11 C ATOM 1152 CG PHE A 75 -1.633 6.994 1.047 1.00 45.33 C ATOM 1153 CD1 PHE A 75 -1.004 7.739 2.047 1.00 30.02 C ATOM 1154 CD2 PHE A 75 -1.504 7.430 -0.268 1.00 52.31 C ATOM 1155 CE1 PHE A 75 -0.275 8.873 1.738 1.00 43.54 C ATOM 1156 CE2 PHE A 75 -0.773 8.563 -0.574 1.00 74.20 C ATOM 1157 CZ PHE A 75 -0.159 9.284 0.427 1.00 63.05 C ATOM 0 H PHE A 75 -3.178 6.624 3.684 1.00 12.04 H new ATOM 0 HA PHE A 75 -4.388 6.605 0.995 1.00 51.12 H new ATOM 0 HB2 PHE A 75 -1.953 5.201 2.191 1.00 34.11 H new ATOM 0 HB3 PHE A 75 -2.463 5.080 0.519 1.00 34.11 H new ATOM 0 HD1 PHE A 75 -1.088 7.425 3.077 1.00 30.02 H new ATOM 0 HD2 PHE A 75 -1.982 6.875 -1.062 1.00 52.31 H new ATOM 0 HE1 PHE A 75 0.204 9.437 2.525 1.00 43.54 H new ATOM 0 HE2 PHE A 75 -0.683 8.884 -1.601 1.00 74.20 H new ATOM 0 HZ PHE A 75 0.412 10.169 0.185 1.00 63.05 H new ATOM 1167 N GLN A 76 -5.729 4.541 1.205 1.00 11.42 N ATOM 1168 CA GLN A 76 -6.670 3.410 1.336 1.00 10.23 C ATOM 1169 C GLN A 76 -6.477 2.426 0.163 1.00 34.13 C ATOM 1170 O GLN A 76 -6.799 2.752 -0.983 1.00 24.05 O ATOM 1171 CB GLN A 76 -8.119 3.964 1.362 1.00 23.22 C ATOM 1172 CG GLN A 76 -9.220 2.908 1.574 1.00 74.25 C ATOM 1173 CD GLN A 76 -10.624 3.519 1.580 1.00 64.32 C ATOM 1174 OE1 GLN A 76 -11.137 3.917 2.618 1.00 42.02 O ATOM 1175 NE2 GLN A 76 -11.247 3.619 0.421 1.00 31.52 N ATOM 0 H GLN A 76 -5.930 5.143 0.407 1.00 11.42 H new ATOM 0 HA GLN A 76 -6.479 2.870 2.263 1.00 10.23 H new ATOM 0 HB2 GLN A 76 -8.193 4.707 2.156 1.00 23.22 H new ATOM 0 HB3 GLN A 76 -8.310 4.482 0.422 1.00 23.22 H new ATOM 0 HG2 GLN A 76 -9.157 2.158 0.785 1.00 74.25 H new ATOM 0 HG3 GLN A 76 -9.047 2.392 2.519 1.00 74.25 H new ATOM 0 HE21 GLN A 76 -10.798 3.280 -0.430 1.00 31.52 H new ATOM 0 HE22 GLN A 76 -12.177 4.035 0.376 1.00 31.52 H new ATOM 1184 N CYS A 77 -5.922 1.238 0.444 1.00 31.24 N ATOM 1185 CA CYS A 77 -5.681 0.207 -0.583 1.00 4.34 C ATOM 1186 C CYS A 77 -6.926 -0.706 -0.727 1.00 42.50 C ATOM 1187 O CYS A 77 -7.141 -1.632 0.066 1.00 14.32 O ATOM 1188 CB CYS A 77 -4.422 -0.606 -0.226 1.00 42.35 C ATOM 1189 SG CYS A 77 -4.540 -1.510 1.319 1.00 64.40 S ATOM 0 H CYS A 77 -5.629 0.963 1.382 1.00 31.24 H new ATOM 0 HA CYS A 77 -5.509 0.688 -1.546 1.00 4.34 H new ATOM 0 HB2 CYS A 77 -4.219 -1.312 -1.032 1.00 42.35 H new ATOM 0 HB3 CYS A 77 -3.569 0.071 -0.173 1.00 42.35 H new ATOM 0 HG CYS A 77 -3.495 -2.271 1.458 1.00 64.40 H new ATOM 1195 N VAL A 78 -7.755 -0.416 -1.743 1.00 33.32 N ATOM 1196 CA VAL A 78 -9.047 -1.099 -1.974 1.00 2.44 C ATOM 1197 C VAL A 78 -8.874 -2.350 -2.863 1.00 54.44 C ATOM 1198 O VAL A 78 -8.556 -2.236 -4.051 1.00 50.22 O ATOM 1199 CB VAL A 78 -10.090 -0.124 -2.646 1.00 40.23 C ATOM 1200 CG1 VAL A 78 -11.466 -0.815 -2.882 1.00 50.30 C ATOM 1201 CG2 VAL A 78 -10.247 1.167 -1.809 1.00 22.25 C ATOM 0 H VAL A 78 -7.549 0.304 -2.435 1.00 33.32 H new ATOM 0 HA VAL A 78 -9.421 -1.410 -0.999 1.00 2.44 H new ATOM 0 HB VAL A 78 -9.700 0.149 -3.627 1.00 40.23 H new ATOM 0 HG11 VAL A 78 -12.153 -0.108 -3.346 1.00 50.30 H new ATOM 0 HG12 VAL A 78 -11.333 -1.676 -3.538 1.00 50.30 H new ATOM 0 HG13 VAL A 78 -11.875 -1.146 -1.928 1.00 50.30 H new ATOM 0 HG21 VAL A 78 -10.970 1.826 -2.289 1.00 22.25 H new ATOM 0 HG22 VAL A 78 -10.597 0.912 -0.809 1.00 22.25 H new ATOM 0 HG23 VAL A 78 -9.285 1.674 -1.739 1.00 22.25 H new ATOM 1211 N ALA A 79 -9.068 -3.538 -2.272 1.00 4.03 N ATOM 1212 CA ALA A 79 -9.152 -4.805 -3.030 1.00 42.53 C ATOM 1213 C ALA A 79 -10.545 -4.946 -3.696 1.00 24.01 C ATOM 1214 O ALA A 79 -10.660 -5.317 -4.868 1.00 31.44 O ATOM 1215 CB ALA A 79 -8.872 -5.988 -2.094 1.00 41.34 C ATOM 0 H ALA A 79 -9.171 -3.653 -1.264 1.00 4.03 H new ATOM 0 HA ALA A 79 -8.401 -4.799 -3.820 1.00 42.53 H new ATOM 0 HB1 ALA A 79 -8.935 -6.920 -2.656 1.00 41.34 H new ATOM 0 HB2 ALA A 79 -7.873 -5.887 -1.669 1.00 41.34 H new ATOM 0 HB3 ALA A 79 -9.609 -5.999 -1.291 1.00 41.34 H new ATOM 1221 N GLY A 80 -11.590 -4.620 -2.917 1.00 22.13 N ATOM 1222 CA GLY A 80 -12.987 -4.708 -3.368 1.00 41.50 C ATOM 1223 C GLY A 80 -13.944 -4.830 -2.182 1.00 64.13 C ATOM 1224 O GLY A 80 -14.648 -3.873 -1.833 1.00 42.01 O ATOM 0 H GLY A 80 -11.489 -4.288 -1.958 1.00 22.13 H new ATOM 0 HA2 GLY A 80 -13.239 -3.824 -3.953 1.00 41.50 H new ATOM 0 HA3 GLY A 80 -13.106 -5.569 -4.025 1.00 41.50 H new ATOM 1228 N ASP A 81 -13.957 -6.022 -1.564 1.00 60.40 N ATOM 1229 CA ASP A 81 -14.690 -6.284 -0.304 1.00 73.02 C ATOM 1230 C ASP A 81 -13.964 -5.645 0.895 1.00 75.21 C ATOM 1231 O ASP A 81 -14.591 -5.062 1.789 1.00 73.01 O ATOM 1232 CB ASP A 81 -14.806 -7.810 -0.070 1.00 70.23 C ATOM 1233 CG ASP A 81 -15.552 -8.528 -1.197 1.00 41.33 C ATOM 1234 OD1 ASP A 81 -14.998 -8.624 -2.310 1.00 62.54 O ATOM 1235 OD2 ASP A 81 -16.693 -8.986 -0.986 1.00 24.53 O ATOM 0 H ASP A 81 -13.459 -6.837 -1.921 1.00 60.40 H new ATOM 0 HA ASP A 81 -15.684 -5.845 -0.392 1.00 73.02 H new ATOM 0 HB2 ASP A 81 -13.807 -8.235 0.027 1.00 70.23 H new ATOM 0 HB3 ASP A 81 -15.322 -7.990 0.873 1.00 70.23 H new ATOM 1240 N GLU A 82 -12.626 -5.759 0.892 1.00 2.53 N ATOM 1241 CA GLU A 82 -11.780 -5.377 2.039 1.00 33.04 C ATOM 1242 C GLU A 82 -10.730 -4.316 1.630 1.00 15.11 C ATOM 1243 O GLU A 82 -10.269 -4.296 0.482 1.00 33.24 O ATOM 1244 CB GLU A 82 -11.104 -6.654 2.608 1.00 74.13 C ATOM 1245 CG GLU A 82 -10.485 -6.493 4.008 1.00 4.20 C ATOM 1246 CD GLU A 82 -9.923 -7.816 4.546 1.00 12.03 C ATOM 1247 OE1 GLU A 82 -10.682 -8.601 5.170 1.00 54.51 O ATOM 1248 OE2 GLU A 82 -8.743 -8.093 4.310 1.00 30.33 O ATOM 0 H GLU A 82 -12.099 -6.118 0.096 1.00 2.53 H new ATOM 0 HA GLU A 82 -12.399 -4.923 2.813 1.00 33.04 H new ATOM 0 HB2 GLU A 82 -11.844 -7.453 2.644 1.00 74.13 H new ATOM 0 HB3 GLU A 82 -10.324 -6.973 1.917 1.00 74.13 H new ATOM 0 HG2 GLU A 82 -9.688 -5.750 3.968 1.00 4.20 H new ATOM 0 HG3 GLU A 82 -11.240 -6.114 4.696 1.00 4.20 H new ATOM 1255 N CYS A 83 -10.358 -3.446 2.591 1.00 11.34 N ATOM 1256 CA CYS A 83 -9.409 -2.328 2.368 1.00 25.43 C ATOM 1257 C CYS A 83 -8.525 -2.107 3.621 1.00 44.34 C ATOM 1258 O CYS A 83 -9.038 -2.108 4.744 1.00 3.13 O ATOM 1259 CB CYS A 83 -10.186 -1.026 2.044 1.00 34.33 C ATOM 1260 SG CYS A 83 -11.375 -1.183 0.692 1.00 0.32 S ATOM 0 H CYS A 83 -10.707 -3.496 3.548 1.00 11.34 H new ATOM 0 HA CYS A 83 -8.768 -2.585 1.525 1.00 25.43 H new ATOM 0 HB2 CYS A 83 -10.714 -0.700 2.940 1.00 34.33 H new ATOM 0 HB3 CYS A 83 -9.470 -0.243 1.793 1.00 34.33 H new ATOM 0 HG CYS A 83 -12.117 -0.117 0.641 1.00 0.32 H new ATOM 1266 N ALA A 84 -7.201 -1.930 3.428 1.00 70.40 N ATOM 1267 CA ALA A 84 -6.269 -1.578 4.534 1.00 72.10 C ATOM 1268 C ALA A 84 -5.992 -0.051 4.533 1.00 74.43 C ATOM 1269 O ALA A 84 -5.957 0.584 3.473 1.00 65.15 O ATOM 1270 CB ALA A 84 -4.962 -2.390 4.434 1.00 11.11 C ATOM 0 H ALA A 84 -6.748 -2.024 2.519 1.00 70.40 H new ATOM 0 HA ALA A 84 -6.738 -1.837 5.483 1.00 72.10 H new ATOM 0 HB1 ALA A 84 -4.299 -2.114 5.254 1.00 11.11 H new ATOM 0 HB2 ALA A 84 -5.189 -3.454 4.494 1.00 11.11 H new ATOM 0 HB3 ALA A 84 -4.473 -2.177 3.484 1.00 11.11 H new ATOM 1276 N TYR A 85 -5.801 0.527 5.736 1.00 33.14 N ATOM 1277 CA TYR A 85 -5.725 1.997 5.936 1.00 44.34 C ATOM 1278 C TYR A 85 -4.326 2.420 6.443 1.00 75.51 C ATOM 1279 O TYR A 85 -3.826 1.872 7.430 1.00 25.20 O ATOM 1280 CB TYR A 85 -6.814 2.438 6.946 1.00 50.41 C ATOM 1281 CG TYR A 85 -8.241 1.996 6.567 1.00 65.31 C ATOM 1282 CD1 TYR A 85 -9.060 2.791 5.758 1.00 64.24 C ATOM 1283 CD2 TYR A 85 -8.760 0.774 7.008 1.00 32.22 C ATOM 1284 CE1 TYR A 85 -10.338 2.387 5.414 1.00 73.30 C ATOM 1285 CE2 TYR A 85 -10.036 0.370 6.662 1.00 72.15 C ATOM 1286 CZ TYR A 85 -10.819 1.176 5.866 1.00 25.33 C ATOM 1287 OH TYR A 85 -12.091 0.772 5.524 1.00 75.20 O ATOM 0 H TYR A 85 -5.695 -0.007 6.598 1.00 33.14 H new ATOM 0 HA TYR A 85 -5.896 2.487 4.977 1.00 44.34 H new ATOM 0 HB2 TYR A 85 -6.569 2.033 7.928 1.00 50.41 H new ATOM 0 HB3 TYR A 85 -6.793 3.524 7.035 1.00 50.41 H new ATOM 0 HD1 TYR A 85 -8.688 3.738 5.395 1.00 64.24 H new ATOM 0 HD2 TYR A 85 -8.152 0.134 7.631 1.00 32.22 H new ATOM 0 HE1 TYR A 85 -10.957 3.018 4.793 1.00 73.30 H new ATOM 0 HE2 TYR A 85 -10.418 -0.576 7.015 1.00 72.15 H new ATOM 0 HH TYR A 85 -12.274 -0.104 5.923 1.00 75.20 H new ATOM 1297 N PHE A 86 -3.712 3.401 5.753 1.00 13.23 N ATOM 1298 CA PHE A 86 -2.349 3.893 6.062 1.00 72.52 C ATOM 1299 C PHE A 86 -2.402 5.410 6.387 1.00 13.30 C ATOM 1300 O PHE A 86 -2.605 6.221 5.493 1.00 65.10 O ATOM 1301 CB PHE A 86 -1.413 3.653 4.829 1.00 3.11 C ATOM 1302 CG PHE A 86 -1.280 2.191 4.359 1.00 4.31 C ATOM 1303 CD1 PHE A 86 -2.339 1.534 3.723 1.00 31.32 C ATOM 1304 CD2 PHE A 86 -0.097 1.477 4.548 1.00 23.10 C ATOM 1305 CE1 PHE A 86 -2.216 0.224 3.299 1.00 21.41 C ATOM 1306 CE2 PHE A 86 0.025 0.167 4.121 1.00 24.21 C ATOM 1307 CZ PHE A 86 -1.036 -0.460 3.502 1.00 10.24 C ATOM 0 H PHE A 86 -4.146 3.878 4.963 1.00 13.23 H new ATOM 0 HA PHE A 86 -1.958 3.353 6.924 1.00 72.52 H new ATOM 0 HB2 PHE A 86 -1.782 4.250 3.995 1.00 3.11 H new ATOM 0 HB3 PHE A 86 -0.419 4.028 5.074 1.00 3.11 H new ATOM 0 HD1 PHE A 86 -3.269 2.059 3.561 1.00 31.32 H new ATOM 0 HD2 PHE A 86 0.739 1.956 5.037 1.00 23.10 H new ATOM 0 HE1 PHE A 86 -3.045 -0.264 2.808 1.00 21.41 H new ATOM 0 HE2 PHE A 86 0.952 -0.365 4.273 1.00 24.21 H new ATOM 0 HZ PHE A 86 -0.943 -1.486 3.177 1.00 10.24 H new ATOM 1317 N THR A 87 -2.204 5.788 7.661 1.00 52.02 N ATOM 1318 CA THR A 87 -2.208 7.211 8.098 1.00 2.43 C ATOM 1319 C THR A 87 -0.772 7.792 8.097 1.00 13.14 C ATOM 1320 O THR A 87 0.011 7.534 9.014 1.00 44.43 O ATOM 1321 CB THR A 87 -2.844 7.363 9.529 1.00 22.14 C ATOM 1322 OG1 THR A 87 -4.132 6.723 9.558 1.00 12.24 O ATOM 1323 CG2 THR A 87 -3.006 8.840 9.952 1.00 12.05 C ATOM 0 H THR A 87 -2.037 5.127 8.420 1.00 52.02 H new ATOM 0 HA THR A 87 -2.815 7.771 7.387 1.00 2.43 H new ATOM 0 HB THR A 87 -2.162 6.888 10.234 1.00 22.14 H new ATOM 0 HG1 THR A 87 -4.798 7.309 9.140 1.00 12.24 H new ATOM 0 HG21 THR A 87 -3.449 8.887 10.947 1.00 12.05 H new ATOM 0 HG22 THR A 87 -2.029 9.324 9.967 1.00 12.05 H new ATOM 0 HG23 THR A 87 -3.654 9.353 9.241 1.00 12.05 H new ATOM 1331 N VAL A 88 -0.436 8.576 7.057 1.00 13.12 N ATOM 1332 CA VAL A 88 0.897 9.213 6.914 1.00 23.33 C ATOM 1333 C VAL A 88 0.875 10.651 7.492 1.00 74.55 C ATOM 1334 O VAL A 88 0.066 11.488 7.081 1.00 61.43 O ATOM 1335 CB VAL A 88 1.361 9.227 5.409 1.00 2.13 C ATOM 1336 CG1 VAL A 88 2.744 9.915 5.236 1.00 50.53 C ATOM 1337 CG2 VAL A 88 1.376 7.786 4.825 1.00 61.52 C ATOM 0 H VAL A 88 -1.075 8.789 6.291 1.00 13.12 H new ATOM 0 HA VAL A 88 1.617 8.622 7.481 1.00 23.33 H new ATOM 0 HB VAL A 88 0.637 9.817 4.848 1.00 2.13 H new ATOM 0 HG11 VAL A 88 3.027 9.903 4.183 1.00 50.53 H new ATOM 0 HG12 VAL A 88 2.684 10.946 5.584 1.00 50.53 H new ATOM 0 HG13 VAL A 88 3.493 9.379 5.819 1.00 50.53 H new ATOM 0 HG21 VAL A 88 1.699 7.818 3.785 1.00 61.52 H new ATOM 0 HG22 VAL A 88 2.065 7.168 5.400 1.00 61.52 H new ATOM 0 HG23 VAL A 88 0.374 7.360 4.880 1.00 61.52 H new ATOM 1347 N THR A 89 1.784 10.920 8.448 1.00 34.40 N ATOM 1348 CA THR A 89 1.847 12.196 9.203 1.00 34.55 C ATOM 1349 C THR A 89 3.232 12.868 9.032 1.00 65.34 C ATOM 1350 O THR A 89 4.244 12.326 9.477 1.00 61.03 O ATOM 1351 CB THR A 89 1.568 11.944 10.731 1.00 42.52 C ATOM 1352 OG1 THR A 89 2.502 10.982 11.260 1.00 3.25 O ATOM 1353 CG2 THR A 89 0.132 11.444 10.977 1.00 10.45 C ATOM 0 H THR A 89 2.505 10.254 8.724 1.00 34.40 H new ATOM 0 HA THR A 89 1.081 12.861 8.804 1.00 34.55 H new ATOM 0 HB THR A 89 1.691 12.899 11.241 1.00 42.52 H new ATOM 0 HG1 THR A 89 2.098 10.519 12.023 1.00 3.25 H new ATOM 0 HG21 THR A 89 -0.019 11.282 12.044 1.00 10.45 H new ATOM 0 HG22 THR A 89 -0.579 12.188 10.618 1.00 10.45 H new ATOM 0 HG23 THR A 89 -0.024 10.507 10.443 1.00 10.45 H new ATOM 1361 N ILE A 90 3.266 14.052 8.388 1.00 2.13 N ATOM 1362 CA ILE A 90 4.532 14.776 8.092 1.00 60.14 C ATOM 1363 C ILE A 90 4.981 15.630 9.301 1.00 72.33 C ATOM 1364 O ILE A 90 6.168 15.709 9.645 1.00 11.35 O ATOM 1365 CB ILE A 90 4.386 15.691 6.815 1.00 63.43 C ATOM 1366 CG1 ILE A 90 3.735 14.905 5.634 1.00 61.34 C ATOM 1367 CG2 ILE A 90 5.753 16.293 6.378 1.00 33.21 C ATOM 1368 CD1 ILE A 90 4.521 13.706 5.138 1.00 74.12 C ATOM 0 H ILE A 90 2.430 14.534 8.059 1.00 2.13 H new ATOM 0 HA ILE A 90 5.294 14.023 7.892 1.00 60.14 H new ATOM 0 HB ILE A 90 3.729 16.518 7.086 1.00 63.43 H new ATOM 0 HG12 ILE A 90 2.747 14.566 5.946 1.00 61.34 H new ATOM 0 HG13 ILE A 90 3.588 15.592 4.800 1.00 61.34 H new ATOM 0 HG21 ILE A 90 5.610 16.917 5.496 1.00 33.21 H new ATOM 0 HG22 ILE A 90 6.160 16.898 7.188 1.00 33.21 H new ATOM 0 HG23 ILE A 90 6.448 15.486 6.144 1.00 33.21 H new ATOM 0 HD11 ILE A 90 3.982 13.232 4.318 1.00 74.12 H new ATOM 0 HD12 ILE A 90 5.500 14.032 4.788 1.00 74.12 H new ATOM 0 HD13 ILE A 90 4.646 12.991 5.951 1.00 74.12 H new TER 1380 ILE A 90