USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 GLN : amide:sc= -0.445 K(o=-2.4,f=-7.8!) USER MOD Set 1.2: A 71 HIS : +bothHN:sc= -1.96 K(o=-2.4,f=-9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.21 (180deg=0.893) USER MOD Single : A 2 ASN : amide:sc=-0.00415 K(o=-0.0041,f=-1.3) USER MOD Single : A 5 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.7!) USER MOD Single : A 8 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.1) USER MOD Single : A 15 HIS : no HD1:sc= 0.2 K(o=0.2,f=-4.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.181 K(o=0.18,f=-3.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 178:sc= -0.261 USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 2.44 (180deg=2.14) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0341 F(o=-1.3!,f=-0.034) USER MOD Single : A 49 THR OG1 : rot 71:sc= 0.467 USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 0.0468 (180deg=-0.023) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 1.86 (180deg=1.78) USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0279) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.31 K(o=-1.3,f=-5.7!) USER MOD Single : A 84 HIS : no HD1:sc= 0.504 K(o=0.5,f=-4.7!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.281 -3.933 -14.907 1.00 21.33 N ATOM 2 CA MET A 1 -7.802 -3.910 -13.510 1.00 64.52 C ATOM 3 C MET A 1 -8.672 -4.801 -12.638 1.00 64.21 C ATOM 4 O MET A 1 -9.864 -4.547 -12.462 1.00 23.11 O ATOM 5 CB MET A 1 -7.803 -2.480 -12.956 1.00 23.22 C ATOM 6 CG MET A 1 -6.724 -1.583 -13.546 1.00 71.42 C ATOM 7 SD MET A 1 -6.924 -1.302 -15.320 1.00 64.41 S ATOM 8 CE MET A 1 -5.552 -0.194 -15.632 1.00 14.21 C ATOM 0 H1 MET A 1 -7.867 -3.134 -15.429 1.00 21.33 H new ATOM 0 H2 MET A 1 -7.995 -4.826 -15.357 1.00 21.33 H new ATOM 0 H3 MET A 1 -9.318 -3.855 -14.920 1.00 21.33 H new ATOM 0 HA MET A 1 -6.779 -4.287 -13.497 1.00 64.52 H new ATOM 0 HB2 MET A 1 -8.778 -2.030 -13.145 1.00 23.22 H new ATOM 0 HB3 MET A 1 -7.675 -2.521 -11.874 1.00 23.22 H new ATOM 0 HG2 MET A 1 -6.735 -0.623 -13.029 1.00 71.42 H new ATOM 0 HG3 MET A 1 -5.748 -2.032 -13.363 1.00 71.42 H new ATOM 0 HE1 MET A 1 -5.535 0.076 -16.688 1.00 14.21 H new ATOM 0 HE2 MET A 1 -5.667 0.707 -15.029 1.00 14.21 H new ATOM 0 HE3 MET A 1 -4.617 -0.689 -15.369 1.00 14.21 H new ATOM 20 N ASN A 2 -8.072 -5.860 -12.122 1.00 44.13 N ATOM 21 CA ASN A 2 -8.750 -6.743 -11.186 1.00 52.25 C ATOM 22 C ASN A 2 -8.155 -6.539 -9.805 1.00 21.32 C ATOM 23 O ASN A 2 -6.937 -6.573 -9.654 1.00 24.12 O ATOM 24 CB ASN A 2 -8.621 -8.209 -11.618 1.00 30.22 C ATOM 25 CG ASN A 2 -9.287 -9.166 -10.643 1.00 15.21 C ATOM 26 OD1 ASN A 2 -10.223 -8.798 -9.933 1.00 5.41 O ATOM 27 ND2 ASN A 2 -8.829 -10.406 -10.619 1.00 53.00 N ATOM 0 H ASN A 2 -7.112 -6.131 -12.336 1.00 44.13 H new ATOM 0 HA ASN A 2 -9.813 -6.501 -11.169 1.00 52.25 H new ATOM 0 HB2 ASN A 2 -9.066 -8.334 -12.605 1.00 30.22 H new ATOM 0 HB3 ASN A 2 -7.566 -8.465 -11.710 1.00 30.22 H new ATOM 0 HD21 ASN A 2 -9.253 -11.094 -9.997 1.00 53.00 H new ATOM 0 HD22 ASN A 2 -8.051 -10.674 -11.222 1.00 53.00 H new ATOM 34 N VAL A 3 -9.012 -6.345 -8.806 1.00 43.11 N ATOM 35 CA VAL A 3 -8.576 -5.940 -7.470 1.00 52.21 C ATOM 36 C VAL A 3 -7.462 -6.840 -6.917 1.00 33.44 C ATOM 37 O VAL A 3 -6.498 -6.342 -6.346 1.00 71.12 O ATOM 38 CB VAL A 3 -9.764 -5.892 -6.479 1.00 14.02 C ATOM 39 CG1 VAL A 3 -10.408 -7.261 -6.310 1.00 43.24 C ATOM 40 CG2 VAL A 3 -9.325 -5.325 -5.134 1.00 43.21 C ATOM 0 H VAL A 3 -10.021 -6.463 -8.897 1.00 43.11 H new ATOM 0 HA VAL A 3 -8.166 -4.936 -7.575 1.00 52.21 H new ATOM 0 HB VAL A 3 -10.518 -5.227 -6.900 1.00 14.02 H new ATOM 0 HG11 VAL A 3 -11.238 -7.188 -5.607 1.00 43.24 H new ATOM 0 HG12 VAL A 3 -10.778 -7.610 -7.274 1.00 43.24 H new ATOM 0 HG13 VAL A 3 -9.670 -7.966 -5.928 1.00 43.24 H new ATOM 0 HG21 VAL A 3 -10.176 -5.301 -4.454 1.00 43.21 H new ATOM 0 HG22 VAL A 3 -8.541 -5.954 -4.712 1.00 43.21 H new ATOM 0 HG23 VAL A 3 -8.943 -4.314 -5.273 1.00 43.21 H new ATOM 50 N ASP A 4 -7.572 -8.151 -7.118 1.00 22.20 N ATOM 51 CA ASP A 4 -6.551 -9.081 -6.630 1.00 30.20 C ATOM 52 C ASP A 4 -5.202 -8.787 -7.273 1.00 3.24 C ATOM 53 O ASP A 4 -4.169 -8.792 -6.603 1.00 52.44 O ATOM 54 CB ASP A 4 -6.953 -10.535 -6.888 1.00 62.43 C ATOM 55 CG ASP A 4 -7.996 -11.028 -5.909 1.00 14.11 C ATOM 56 OD1 ASP A 4 -7.654 -11.235 -4.725 1.00 15.45 O ATOM 57 OD2 ASP A 4 -9.159 -11.219 -6.317 1.00 42.20 O ATOM 0 H ASP A 4 -8.349 -8.592 -7.610 1.00 22.20 H new ATOM 0 HA ASP A 4 -6.465 -8.939 -5.553 1.00 30.20 H new ATOM 0 HB2 ASP A 4 -7.339 -10.628 -7.903 1.00 62.43 H new ATOM 0 HB3 ASP A 4 -6.070 -11.170 -6.824 1.00 62.43 H new ATOM 62 N HIS A 5 -5.226 -8.498 -8.568 1.00 13.13 N ATOM 63 CA HIS A 5 -4.017 -8.135 -9.296 1.00 12.34 C ATOM 64 C HIS A 5 -3.458 -6.821 -8.763 1.00 2.11 C ATOM 65 O HIS A 5 -2.254 -6.684 -8.567 1.00 51.25 O ATOM 66 CB HIS A 5 -4.303 -8.013 -10.801 1.00 73.25 C ATOM 67 CG HIS A 5 -3.161 -7.440 -11.594 1.00 2.12 C ATOM 68 ND1 HIS A 5 -3.083 -6.108 -11.945 1.00 14.32 N ATOM 69 CD2 HIS A 5 -2.045 -8.023 -12.093 1.00 2.10 C ATOM 70 CE1 HIS A 5 -1.972 -5.898 -12.626 1.00 32.15 C ATOM 71 NE2 HIS A 5 -1.326 -7.044 -12.730 1.00 34.42 N ATOM 0 H HIS A 5 -6.072 -8.508 -9.137 1.00 13.13 H new ATOM 0 HA HIS A 5 -3.278 -8.923 -9.148 1.00 12.34 H new ATOM 0 HB2 HIS A 5 -4.548 -8.999 -11.195 1.00 73.25 H new ATOM 0 HB3 HIS A 5 -5.183 -7.385 -10.944 1.00 73.25 H new ATOM 0 HD1 HIS A 5 -3.776 -5.396 -11.714 1.00 14.32 H new ATOM 0 HD2 HIS A 5 -1.772 -9.064 -12.006 1.00 2.10 H new ATOM 0 HE1 HIS A 5 -1.647 -4.950 -13.029 1.00 32.15 H new ATOM 80 N GLU A 6 -4.347 -5.865 -8.520 1.00 32.00 N ATOM 81 CA GLU A 6 -3.945 -4.552 -8.033 1.00 74.25 C ATOM 82 C GLU A 6 -3.317 -4.673 -6.644 1.00 15.23 C ATOM 83 O GLU A 6 -2.390 -3.941 -6.301 1.00 73.52 O ATOM 84 CB GLU A 6 -5.144 -3.599 -7.992 1.00 22.15 C ATOM 85 CG GLU A 6 -6.017 -3.639 -9.241 1.00 74.33 C ATOM 86 CD GLU A 6 -5.223 -3.568 -10.532 1.00 74.12 C ATOM 87 OE1 GLU A 6 -4.739 -2.479 -10.875 1.00 70.22 O ATOM 88 OE2 GLU A 6 -5.094 -4.613 -11.213 1.00 10.35 O ATOM 0 H GLU A 6 -5.352 -5.975 -8.653 1.00 32.00 H new ATOM 0 HA GLU A 6 -3.204 -4.142 -8.720 1.00 74.25 H new ATOM 0 HB2 GLU A 6 -5.758 -3.843 -7.125 1.00 22.15 H new ATOM 0 HB3 GLU A 6 -4.780 -2.581 -7.849 1.00 22.15 H new ATOM 0 HG2 GLU A 6 -6.606 -4.556 -9.235 1.00 74.33 H new ATOM 0 HG3 GLU A 6 -6.722 -2.808 -9.210 1.00 74.33 H new ATOM 95 N VAL A 7 -3.823 -5.612 -5.848 1.00 40.20 N ATOM 96 CA VAL A 7 -3.253 -5.889 -4.531 1.00 42.22 C ATOM 97 C VAL A 7 -1.864 -6.513 -4.674 1.00 14.31 C ATOM 98 O VAL A 7 -0.949 -6.191 -3.916 1.00 12.35 O ATOM 99 CB VAL A 7 -4.158 -6.821 -3.689 1.00 62.30 C ATOM 100 CG1 VAL A 7 -3.542 -7.092 -2.320 1.00 74.13 C ATOM 101 CG2 VAL A 7 -5.542 -6.214 -3.523 1.00 42.44 C ATOM 0 H VAL A 7 -4.625 -6.193 -6.091 1.00 40.20 H new ATOM 0 HA VAL A 7 -3.176 -4.936 -4.008 1.00 42.22 H new ATOM 0 HB VAL A 7 -4.248 -7.768 -4.221 1.00 62.30 H new ATOM 0 HG11 VAL A 7 -4.198 -7.749 -1.749 1.00 74.13 H new ATOM 0 HG12 VAL A 7 -2.571 -7.570 -2.446 1.00 74.13 H new ATOM 0 HG13 VAL A 7 -3.416 -6.151 -1.785 1.00 74.13 H new ATOM 0 HG21 VAL A 7 -6.164 -6.883 -2.929 1.00 42.44 H new ATOM 0 HG22 VAL A 7 -5.459 -5.252 -3.018 1.00 42.44 H new ATOM 0 HG23 VAL A 7 -5.997 -6.071 -4.503 1.00 42.44 H new ATOM 111 N ASN A 8 -1.702 -7.395 -5.659 1.00 34.40 N ATOM 112 CA ASN A 8 -0.389 -7.973 -5.961 1.00 65.12 C ATOM 113 C ASN A 8 0.568 -6.884 -6.435 1.00 22.21 C ATOM 114 O ASN A 8 1.775 -6.959 -6.211 1.00 44.52 O ATOM 115 CB ASN A 8 -0.499 -9.067 -7.033 1.00 2.21 C ATOM 116 CG ASN A 8 -0.942 -10.420 -6.494 1.00 13.53 C ATOM 117 OD1 ASN A 8 -0.559 -11.461 -7.029 1.00 23.15 O ATOM 118 ND2 ASN A 8 -1.752 -10.421 -5.449 1.00 40.12 N ATOM 0 H ASN A 8 -2.457 -7.725 -6.260 1.00 34.40 H new ATOM 0 HA ASN A 8 -0.002 -8.424 -5.047 1.00 65.12 H new ATOM 0 HB2 ASN A 8 -1.206 -8.743 -7.797 1.00 2.21 H new ATOM 0 HB3 ASN A 8 0.469 -9.181 -7.522 1.00 2.21 H new ATOM 0 HD21 ASN A 8 -2.081 -11.304 -5.059 1.00 40.12 H new ATOM 0 HD22 ASN A 8 -2.048 -9.538 -5.032 1.00 40.12 H new ATOM 125 N LEU A 9 0.017 -5.878 -7.095 1.00 1.44 N ATOM 126 CA LEU A 9 0.789 -4.724 -7.513 1.00 73.45 C ATOM 127 C LEU A 9 1.187 -3.908 -6.291 1.00 4.44 C ATOM 128 O LEU A 9 2.337 -3.496 -6.152 1.00 71.20 O ATOM 129 CB LEU A 9 -0.034 -3.877 -8.485 1.00 42.31 C ATOM 130 CG LEU A 9 0.638 -2.596 -8.968 1.00 13.53 C ATOM 131 CD1 LEU A 9 1.902 -2.916 -9.746 1.00 73.22 C ATOM 132 CD2 LEU A 9 -0.325 -1.784 -9.817 1.00 63.41 C ATOM 0 H LEU A 9 -0.969 -5.840 -7.353 1.00 1.44 H new ATOM 0 HA LEU A 9 1.695 -5.053 -8.023 1.00 73.45 H new ATOM 0 HB2 LEU A 9 -0.280 -4.488 -9.354 1.00 42.31 H new ATOM 0 HB3 LEU A 9 -0.976 -3.614 -8.003 1.00 42.31 H new ATOM 0 HG LEU A 9 0.917 -2.001 -8.098 1.00 13.53 H new ATOM 0 HD11 LEU A 9 2.367 -1.989 -10.082 1.00 73.22 H new ATOM 0 HD12 LEU A 9 2.597 -3.458 -9.105 1.00 73.22 H new ATOM 0 HD13 LEU A 9 1.651 -3.530 -10.611 1.00 73.22 H new ATOM 0 HD21 LEU A 9 0.168 -0.872 -10.155 1.00 63.41 H new ATOM 0 HD22 LEU A 9 -0.633 -2.372 -10.682 1.00 63.41 H new ATOM 0 HD23 LEU A 9 -1.202 -1.524 -9.224 1.00 63.41 H new ATOM 144 N LEU A 10 0.225 -3.712 -5.395 1.00 60.12 N ATOM 145 CA LEU A 10 0.449 -2.977 -4.159 1.00 64.21 C ATOM 146 C LEU A 10 1.585 -3.601 -3.356 1.00 43.20 C ATOM 147 O LEU A 10 2.540 -2.919 -2.988 1.00 63.11 O ATOM 148 CB LEU A 10 -0.834 -2.966 -3.320 1.00 13.31 C ATOM 149 CG LEU A 10 -0.751 -2.212 -1.991 1.00 53.51 C ATOM 150 CD1 LEU A 10 -0.542 -0.723 -2.227 1.00 33.34 C ATOM 151 CD2 LEU A 10 -2.009 -2.455 -1.163 1.00 62.14 C ATOM 0 H LEU A 10 -0.728 -4.058 -5.506 1.00 60.12 H new ATOM 0 HA LEU A 10 0.726 -1.954 -4.412 1.00 64.21 H new ATOM 0 HB2 LEU A 10 -1.633 -2.526 -3.917 1.00 13.31 H new ATOM 0 HB3 LEU A 10 -1.121 -3.997 -3.114 1.00 13.31 H new ATOM 0 HG LEU A 10 0.107 -2.590 -1.435 1.00 53.51 H new ATOM 0 HD11 LEU A 10 -0.486 -0.207 -1.268 1.00 33.34 H new ATOM 0 HD12 LEU A 10 0.386 -0.569 -2.777 1.00 33.34 H new ATOM 0 HD13 LEU A 10 -1.376 -0.326 -2.805 1.00 33.34 H new ATOM 0 HD21 LEU A 10 -1.935 -1.912 -0.221 1.00 62.14 H new ATOM 0 HD22 LEU A 10 -2.881 -2.106 -1.715 1.00 62.14 H new ATOM 0 HD23 LEU A 10 -2.111 -3.521 -0.960 1.00 62.14 H new ATOM 163 N VAL A 11 1.490 -4.904 -3.116 1.00 21.02 N ATOM 164 CA VAL A 11 2.489 -5.604 -2.315 1.00 43.53 C ATOM 165 C VAL A 11 3.856 -5.586 -2.995 1.00 75.43 C ATOM 166 O VAL A 11 4.890 -5.576 -2.326 1.00 65.42 O ATOM 167 CB VAL A 11 2.073 -7.063 -2.009 1.00 22.31 C ATOM 168 CG1 VAL A 11 0.763 -7.097 -1.245 1.00 12.54 C ATOM 169 CG2 VAL A 11 1.973 -7.892 -3.278 1.00 14.34 C ATOM 0 H VAL A 11 0.735 -5.496 -3.463 1.00 21.02 H new ATOM 0 HA VAL A 11 2.558 -5.068 -1.369 1.00 43.53 H new ATOM 0 HB VAL A 11 2.851 -7.504 -1.386 1.00 22.31 H new ATOM 0 HG11 VAL A 11 0.488 -8.132 -1.040 1.00 12.54 H new ATOM 0 HG12 VAL A 11 0.876 -6.558 -0.304 1.00 12.54 H new ATOM 0 HG13 VAL A 11 -0.018 -6.626 -1.841 1.00 12.54 H new ATOM 0 HG21 VAL A 11 1.679 -8.911 -3.025 1.00 14.34 H new ATOM 0 HG22 VAL A 11 1.228 -7.453 -3.941 1.00 14.34 H new ATOM 0 HG23 VAL A 11 2.941 -7.908 -3.779 1.00 14.34 H new ATOM 179 N GLU A 12 3.860 -5.564 -4.322 1.00 22.55 N ATOM 180 CA GLU A 12 5.093 -5.520 -5.078 1.00 55.45 C ATOM 181 C GLU A 12 5.757 -4.154 -4.936 1.00 54.15 C ATOM 182 O GLU A 12 6.960 -4.063 -4.687 1.00 63.40 O ATOM 183 CB GLU A 12 4.811 -5.837 -6.544 1.00 42.12 C ATOM 184 CG GLU A 12 6.064 -6.023 -7.368 1.00 53.13 C ATOM 185 CD GLU A 12 5.763 -6.510 -8.767 1.00 24.10 C ATOM 186 OE1 GLU A 12 5.425 -7.700 -8.920 1.00 51.31 O ATOM 187 OE2 GLU A 12 5.850 -5.709 -9.717 1.00 14.21 O ATOM 0 H GLU A 12 3.016 -5.576 -4.894 1.00 22.55 H new ATOM 0 HA GLU A 12 5.779 -6.270 -4.684 1.00 55.45 H new ATOM 0 HB2 GLU A 12 4.208 -6.743 -6.603 1.00 42.12 H new ATOM 0 HB3 GLU A 12 4.218 -5.031 -6.975 1.00 42.12 H new ATOM 0 HG2 GLU A 12 6.604 -5.078 -7.423 1.00 53.13 H new ATOM 0 HG3 GLU A 12 6.721 -6.737 -6.871 1.00 53.13 H new ATOM 194 N GLU A 13 4.970 -3.093 -5.062 1.00 4.44 N ATOM 195 CA GLU A 13 5.496 -1.742 -4.918 1.00 24.15 C ATOM 196 C GLU A 13 6.021 -1.515 -3.507 1.00 32.13 C ATOM 197 O GLU A 13 7.008 -0.813 -3.312 1.00 10.53 O ATOM 198 CB GLU A 13 4.435 -0.701 -5.263 1.00 74.22 C ATOM 199 CG GLU A 13 4.009 -0.733 -6.724 1.00 22.43 C ATOM 200 CD GLU A 13 5.160 -0.526 -7.701 1.00 62.24 C ATOM 201 OE1 GLU A 13 6.332 -0.425 -7.267 1.00 22.00 O ATOM 202 OE2 GLU A 13 4.904 -0.475 -8.922 1.00 74.34 O ATOM 0 H GLU A 13 3.971 -3.141 -5.262 1.00 4.44 H new ATOM 0 HA GLU A 13 6.324 -1.630 -5.618 1.00 24.15 H new ATOM 0 HB2 GLU A 13 3.560 -0.863 -4.634 1.00 74.22 H new ATOM 0 HB3 GLU A 13 4.819 0.291 -5.026 1.00 74.22 H new ATOM 0 HG2 GLU A 13 3.533 -1.691 -6.934 1.00 22.43 H new ATOM 0 HG3 GLU A 13 3.258 0.039 -6.892 1.00 22.43 H new ATOM 209 N ILE A 14 5.364 -2.128 -2.530 1.00 60.15 N ATOM 210 CA ILE A 14 5.827 -2.079 -1.145 1.00 5.34 C ATOM 211 C ILE A 14 7.184 -2.768 -1.012 1.00 32.14 C ATOM 212 O ILE A 14 8.024 -2.358 -0.216 1.00 74.14 O ATOM 213 CB ILE A 14 4.799 -2.718 -0.183 1.00 24.02 C ATOM 214 CG1 ILE A 14 3.479 -1.947 -0.261 1.00 11.13 C ATOM 215 CG2 ILE A 14 5.324 -2.730 1.250 1.00 11.43 C ATOM 216 CD1 ILE A 14 2.344 -2.594 0.495 1.00 12.54 C ATOM 0 H ILE A 14 4.508 -2.666 -2.669 1.00 60.15 H new ATOM 0 HA ILE A 14 5.936 -1.031 -0.866 1.00 5.34 H new ATOM 0 HB ILE A 14 4.632 -3.752 -0.485 1.00 24.02 H new ATOM 0 HG12 ILE A 14 3.634 -0.941 0.128 1.00 11.13 H new ATOM 0 HG13 ILE A 14 3.192 -1.843 -1.307 1.00 11.13 H new ATOM 0 HG21 ILE A 14 4.581 -3.185 1.906 1.00 11.43 H new ATOM 0 HG22 ILE A 14 6.248 -3.306 1.294 1.00 11.43 H new ATOM 0 HG23 ILE A 14 5.518 -1.708 1.575 1.00 11.43 H new ATOM 0 HD11 ILE A 14 1.445 -1.987 0.391 1.00 12.54 H new ATOM 0 HD12 ILE A 14 2.159 -3.589 0.092 1.00 12.54 H new ATOM 0 HD13 ILE A 14 2.608 -2.673 1.550 1.00 12.54 H new ATOM 228 N HIS A 15 7.398 -3.806 -1.809 1.00 73.21 N ATOM 229 CA HIS A 15 8.690 -4.489 -1.844 1.00 70.24 C ATOM 230 C HIS A 15 9.805 -3.545 -2.301 1.00 10.11 C ATOM 231 O HIS A 15 10.891 -3.534 -1.723 1.00 35.21 O ATOM 232 CB HIS A 15 8.647 -5.704 -2.774 1.00 33.42 C ATOM 233 CG HIS A 15 8.327 -6.996 -2.091 1.00 33.31 C ATOM 234 ND1 HIS A 15 9.274 -7.964 -1.852 1.00 61.12 N ATOM 235 CD2 HIS A 15 7.159 -7.491 -1.613 1.00 55.21 C ATOM 236 CE1 HIS A 15 8.707 -8.997 -1.266 1.00 21.31 C ATOM 237 NE2 HIS A 15 7.426 -8.738 -1.106 1.00 61.21 N ATOM 0 H HIS A 15 6.697 -4.195 -2.440 1.00 73.21 H new ATOM 0 HA HIS A 15 8.901 -4.823 -0.828 1.00 70.24 H new ATOM 0 HB2 HIS A 15 7.904 -5.525 -3.551 1.00 33.42 H new ATOM 0 HB3 HIS A 15 9.612 -5.800 -3.271 1.00 33.42 H new ATOM 0 HD2 HIS A 15 6.199 -6.997 -1.628 1.00 55.21 H new ATOM 0 HE1 HIS A 15 9.209 -9.905 -0.966 1.00 21.31 H new ATOM 0 HE2 HIS A 15 6.744 -9.362 -0.676 1.00 61.21 H new ATOM 246 N ARG A 16 9.531 -2.749 -3.336 1.00 63.13 N ATOM 247 CA ARG A 16 10.554 -1.868 -3.903 1.00 34.14 C ATOM 248 C ARG A 16 10.661 -0.545 -3.145 1.00 42.05 C ATOM 249 O ARG A 16 11.756 -0.117 -2.785 1.00 71.42 O ATOM 250 CB ARG A 16 10.285 -1.579 -5.389 1.00 22.14 C ATOM 251 CG ARG A 16 10.547 -2.757 -6.316 1.00 21.20 C ATOM 252 CD ARG A 16 9.282 -3.549 -6.613 1.00 20.33 C ATOM 253 NE ARG A 16 8.317 -2.775 -7.403 1.00 2.33 N ATOM 254 CZ ARG A 16 7.958 -3.085 -8.651 1.00 10.32 C ATOM 255 NH1 ARG A 16 8.508 -4.123 -9.267 1.00 30.11 N ATOM 256 NH2 ARG A 16 7.061 -2.346 -9.284 1.00 71.54 N ATOM 0 H ARG A 16 8.621 -2.696 -3.794 1.00 63.13 H new ATOM 0 HA ARG A 16 11.500 -2.400 -3.805 1.00 34.14 H new ATOM 0 HB2 ARG A 16 9.247 -1.266 -5.504 1.00 22.14 H new ATOM 0 HB3 ARG A 16 10.907 -0.741 -5.702 1.00 22.14 H new ATOM 0 HG2 ARG A 16 10.973 -2.393 -7.251 1.00 21.20 H new ATOM 0 HG3 ARG A 16 11.288 -3.416 -5.863 1.00 21.20 H new ATOM 0 HD2 ARG A 16 9.543 -4.460 -7.152 1.00 20.33 H new ATOM 0 HD3 ARG A 16 8.819 -3.856 -5.675 1.00 20.33 H new ATOM 0 HE ARG A 16 7.896 -1.952 -6.973 1.00 2.33 H new ATOM 0 HH11 ARG A 16 9.208 -4.688 -8.787 1.00 30.11 H new ATOM 0 HH12 ARG A 16 8.230 -4.356 -10.220 1.00 30.11 H new ATOM 0 HH21 ARG A 16 6.644 -1.540 -8.818 1.00 71.54 H new ATOM 0 HH22 ARG A 16 6.787 -2.583 -10.237 1.00 71.54 H new ATOM 270 N LEU A 17 9.529 0.097 -2.897 1.00 74.24 N ATOM 271 CA LEU A 17 9.523 1.423 -2.280 1.00 73.42 C ATOM 272 C LEU A 17 9.677 1.333 -0.769 1.00 52.43 C ATOM 273 O LEU A 17 10.039 2.309 -0.115 1.00 33.11 O ATOM 274 CB LEU A 17 8.227 2.169 -2.612 1.00 71.13 C ATOM 275 CG LEU A 17 7.988 2.467 -4.093 1.00 54.53 C ATOM 276 CD1 LEU A 17 6.669 3.204 -4.269 1.00 63.24 C ATOM 277 CD2 LEU A 17 9.136 3.282 -4.669 1.00 71.32 C ATOM 0 H LEU A 17 8.603 -0.274 -3.111 1.00 74.24 H new ATOM 0 HA LEU A 17 10.372 1.972 -2.686 1.00 73.42 H new ATOM 0 HB2 LEU A 17 7.387 1.582 -2.239 1.00 71.13 H new ATOM 0 HB3 LEU A 17 8.224 3.113 -2.066 1.00 71.13 H new ATOM 0 HG LEU A 17 7.938 1.523 -4.635 1.00 54.53 H new ATOM 0 HD11 LEU A 17 6.507 3.412 -5.327 1.00 63.24 H new ATOM 0 HD12 LEU A 17 5.854 2.586 -3.892 1.00 63.24 H new ATOM 0 HD13 LEU A 17 6.700 4.142 -3.715 1.00 63.24 H new ATOM 0 HD21 LEU A 17 8.946 3.483 -5.723 1.00 71.32 H new ATOM 0 HD22 LEU A 17 9.220 4.225 -4.129 1.00 71.32 H new ATOM 0 HD23 LEU A 17 10.066 2.723 -4.568 1.00 71.32 H new ATOM 289 N GLY A 18 9.410 0.160 -0.224 1.00 22.20 N ATOM 290 CA GLY A 18 9.414 -0.001 1.209 1.00 50.30 C ATOM 291 C GLY A 18 10.783 -0.318 1.764 1.00 53.31 C ATOM 292 O GLY A 18 11.687 -0.735 1.036 1.00 15.34 O ATOM 0 H GLY A 18 9.190 -0.685 -0.751 1.00 22.20 H new ATOM 0 HA2 GLY A 18 9.043 0.913 1.673 1.00 50.30 H new ATOM 0 HA3 GLY A 18 8.724 -0.800 1.481 1.00 50.30 H new ATOM 296 N SER A 19 10.920 -0.111 3.056 1.00 75.21 N ATOM 297 CA SER A 19 12.138 -0.415 3.785 1.00 11.23 C ATOM 298 C SER A 19 11.786 -1.311 4.966 1.00 50.14 C ATOM 299 O SER A 19 10.620 -1.358 5.373 1.00 62.11 O ATOM 300 CB SER A 19 12.816 0.875 4.256 1.00 15.24 C ATOM 301 OG SER A 19 13.116 1.720 3.154 1.00 3.42 O ATOM 0 H SER A 19 10.180 0.278 3.640 1.00 75.21 H new ATOM 0 HA SER A 19 12.841 -0.935 3.134 1.00 11.23 H new ATOM 0 HB2 SER A 19 12.164 1.399 4.955 1.00 15.24 H new ATOM 0 HB3 SER A 19 13.732 0.634 4.795 1.00 15.24 H new ATOM 0 HG SER A 19 13.547 2.539 3.477 1.00 3.42 H new ATOM 307 N LYS A 20 12.759 -2.037 5.501 1.00 52.10 N ATOM 308 CA LYS A 20 12.466 -2.983 6.566 1.00 23.32 C ATOM 309 C LYS A 20 12.229 -2.273 7.880 1.00 73.43 C ATOM 310 O LYS A 20 13.030 -1.460 8.338 1.00 30.01 O ATOM 311 CB LYS A 20 13.561 -4.031 6.742 1.00 34.15 C ATOM 312 CG LYS A 20 13.599 -5.049 5.621 1.00 21.43 C ATOM 313 CD LYS A 20 14.429 -6.274 5.988 1.00 62.44 C ATOM 314 CE LYS A 20 15.854 -5.920 6.391 1.00 42.10 C ATOM 315 NZ LYS A 20 16.647 -5.370 5.259 1.00 30.23 N ATOM 0 H LYS A 20 13.739 -1.991 5.221 1.00 52.10 H new ATOM 0 HA LYS A 20 11.555 -3.501 6.265 1.00 23.32 H new ATOM 0 HB2 LYS A 20 14.527 -3.531 6.802 1.00 34.15 H new ATOM 0 HB3 LYS A 20 13.410 -4.549 7.689 1.00 34.15 H new ATOM 0 HG2 LYS A 20 12.583 -5.359 5.379 1.00 21.43 H new ATOM 0 HG3 LYS A 20 14.013 -4.586 4.725 1.00 21.43 H new ATOM 0 HD2 LYS A 20 13.945 -6.803 6.809 1.00 62.44 H new ATOM 0 HD3 LYS A 20 14.455 -6.957 5.139 1.00 62.44 H new ATOM 0 HE2 LYS A 20 15.828 -5.191 7.201 1.00 42.10 H new ATOM 0 HE3 LYS A 20 16.350 -6.810 6.779 1.00 42.10 H new ATOM 0 HZ1 LYS A 20 17.609 -5.145 5.586 1.00 30.23 H new ATOM 0 HZ2 LYS A 20 16.696 -6.074 4.495 1.00 30.23 H new ATOM 0 HZ3 LYS A 20 16.191 -4.505 4.904 1.00 30.23 H new ATOM 329 N ASN A 21 11.101 -2.602 8.458 1.00 60.52 N ATOM 330 CA ASN A 21 10.664 -2.046 9.723 1.00 71.35 C ATOM 331 C ASN A 21 11.257 -2.857 10.869 1.00 21.41 C ATOM 332 O ASN A 21 11.857 -3.913 10.648 1.00 52.13 O ATOM 333 CB ASN A 21 9.128 -2.062 9.757 1.00 10.31 C ATOM 334 CG ASN A 21 8.501 -1.454 10.995 1.00 32.23 C ATOM 335 OD1 ASN A 21 9.068 -0.571 11.641 1.00 2.54 O ATOM 336 ND2 ASN A 21 7.302 -1.918 11.316 1.00 64.14 N ATOM 0 H ASN A 21 10.446 -3.275 8.059 1.00 60.52 H new ATOM 0 HA ASN A 21 11.007 -1.017 9.833 1.00 71.35 H new ATOM 0 HB2 ASN A 21 8.756 -1.529 8.882 1.00 10.31 H new ATOM 0 HB3 ASN A 21 8.790 -3.094 9.668 1.00 10.31 H new ATOM 0 HD21 ASN A 21 6.810 -1.543 12.127 1.00 64.14 H new ATOM 0 HD22 ASN A 21 6.871 -2.650 10.752 1.00 64.14 H new ATOM 343 N ALA A 22 11.069 -2.373 12.084 1.00 12.13 N ATOM 344 CA ALA A 22 11.662 -2.985 13.269 1.00 75.31 C ATOM 345 C ALA A 22 11.152 -4.408 13.478 1.00 10.14 C ATOM 346 O ALA A 22 11.829 -5.238 14.080 1.00 41.21 O ATOM 347 CB ALA A 22 11.379 -2.135 14.498 1.00 61.53 C ATOM 0 H ALA A 22 10.503 -1.547 12.281 1.00 12.13 H new ATOM 0 HA ALA A 22 12.740 -3.038 13.114 1.00 75.31 H new ATOM 0 HB1 ALA A 22 11.827 -2.603 15.375 1.00 61.53 H new ATOM 0 HB2 ALA A 22 11.805 -1.141 14.359 1.00 61.53 H new ATOM 0 HB3 ALA A 22 10.302 -2.051 14.642 1.00 61.53 H new ATOM 353 N ASP A 23 9.961 -4.683 12.967 1.00 61.30 N ATOM 354 CA ASP A 23 9.349 -6.002 13.103 1.00 12.42 C ATOM 355 C ASP A 23 9.926 -6.989 12.093 1.00 14.41 C ATOM 356 O ASP A 23 9.685 -8.192 12.180 1.00 4.30 O ATOM 357 CB ASP A 23 7.839 -5.909 12.885 1.00 61.25 C ATOM 358 CG ASP A 23 7.147 -4.974 13.853 1.00 41.14 C ATOM 359 OD1 ASP A 23 7.173 -3.750 13.620 1.00 64.31 O ATOM 360 OD2 ASP A 23 6.558 -5.461 14.835 1.00 0.14 O ATOM 0 H ASP A 23 9.395 -4.009 12.452 1.00 61.30 H new ATOM 0 HA ASP A 23 9.563 -6.358 14.111 1.00 12.42 H new ATOM 0 HB2 ASP A 23 7.647 -5.572 11.866 1.00 61.25 H new ATOM 0 HB3 ASP A 23 7.404 -6.904 12.979 1.00 61.25 H new ATOM 365 N GLY A 24 10.679 -6.474 11.130 1.00 31.43 N ATOM 366 CA GLY A 24 11.108 -7.289 10.007 1.00 2.31 C ATOM 367 C GLY A 24 10.108 -7.197 8.873 1.00 12.44 C ATOM 368 O GLY A 24 10.250 -7.838 7.834 1.00 73.25 O ATOM 0 H GLY A 24 11.001 -5.507 11.105 1.00 31.43 H new ATOM 0 HA2 GLY A 24 12.088 -6.958 9.663 1.00 2.31 H new ATOM 0 HA3 GLY A 24 11.214 -8.327 10.323 1.00 2.31 H new ATOM 372 N LYS A 25 9.094 -6.374 9.096 1.00 11.24 N ATOM 373 CA LYS A 25 8.034 -6.145 8.129 1.00 44.24 C ATOM 374 C LYS A 25 8.455 -5.073 7.138 1.00 1.10 C ATOM 375 O LYS A 25 9.181 -4.150 7.495 1.00 53.10 O ATOM 376 CB LYS A 25 6.768 -5.692 8.868 1.00 63.13 C ATOM 377 CG LYS A 25 6.159 -6.755 9.771 1.00 3.40 C ATOM 378 CD LYS A 25 5.120 -6.156 10.706 1.00 64.54 C ATOM 379 CE LYS A 25 4.503 -7.211 11.612 1.00 3.11 C ATOM 380 NZ LYS A 25 3.693 -6.607 12.707 1.00 54.13 N ATOM 0 H LYS A 25 8.984 -5.843 9.960 1.00 11.24 H new ATOM 0 HA LYS A 25 7.835 -7.069 7.586 1.00 44.24 H new ATOM 0 HB2 LYS A 25 7.006 -4.814 9.468 1.00 63.13 H new ATOM 0 HB3 LYS A 25 6.023 -5.384 8.134 1.00 63.13 H new ATOM 0 HG2 LYS A 25 5.698 -7.532 9.162 1.00 3.40 H new ATOM 0 HG3 LYS A 25 6.945 -7.233 10.356 1.00 3.40 H new ATOM 0 HD2 LYS A 25 5.583 -5.379 11.315 1.00 64.54 H new ATOM 0 HD3 LYS A 25 4.336 -5.676 10.120 1.00 64.54 H new ATOM 0 HE2 LYS A 25 3.873 -7.874 11.019 1.00 3.11 H new ATOM 0 HE3 LYS A 25 5.294 -7.825 12.043 1.00 3.11 H new ATOM 0 HZ1 LYS A 25 3.292 -7.362 13.299 1.00 54.13 H new ATOM 0 HZ2 LYS A 25 4.299 -5.995 13.290 1.00 54.13 H new ATOM 0 HZ3 LYS A 25 2.922 -6.042 12.297 1.00 54.13 H new ATOM 394 N LEU A 26 8.025 -5.202 5.898 1.00 61.03 N ATOM 395 CA LEU A 26 8.265 -4.164 4.909 1.00 61.23 C ATOM 396 C LEU A 26 7.257 -3.045 5.096 1.00 74.22 C ATOM 397 O LEU A 26 6.057 -3.293 5.196 1.00 3.24 O ATOM 398 CB LEU A 26 8.170 -4.735 3.493 1.00 2.12 C ATOM 399 CG LEU A 26 9.242 -5.763 3.134 1.00 21.14 C ATOM 400 CD1 LEU A 26 8.932 -6.410 1.798 1.00 55.54 C ATOM 401 CD2 LEU A 26 10.615 -5.110 3.105 1.00 62.23 C ATOM 0 H LEU A 26 7.510 -6.011 5.550 1.00 61.03 H new ATOM 0 HA LEU A 26 9.271 -3.769 5.047 1.00 61.23 H new ATOM 0 HB2 LEU A 26 7.190 -5.197 3.369 1.00 2.12 H new ATOM 0 HB3 LEU A 26 8.226 -3.911 2.781 1.00 2.12 H new ATOM 0 HG LEU A 26 9.246 -6.540 3.899 1.00 21.14 H new ATOM 0 HD11 LEU A 26 9.706 -7.139 1.559 1.00 55.54 H new ATOM 0 HD12 LEU A 26 7.966 -6.911 1.852 1.00 55.54 H new ATOM 0 HD13 LEU A 26 8.901 -5.645 1.022 1.00 55.54 H new ATOM 0 HD21 LEU A 26 11.367 -5.856 2.848 1.00 62.23 H new ATOM 0 HD22 LEU A 26 10.624 -4.314 2.360 1.00 62.23 H new ATOM 0 HD23 LEU A 26 10.840 -4.692 4.086 1.00 62.23 H new ATOM 413 N SER A 27 7.737 -1.820 5.183 1.00 34.11 N ATOM 414 CA SER A 27 6.858 -0.687 5.395 1.00 4.24 C ATOM 415 C SER A 27 7.257 0.480 4.501 1.00 4.31 C ATOM 416 O SER A 27 8.445 0.713 4.256 1.00 12.04 O ATOM 417 CB SER A 27 6.891 -0.285 6.869 1.00 23.11 C ATOM 418 OG SER A 27 6.599 -1.401 7.694 1.00 54.52 O ATOM 0 H SER A 27 8.727 -1.584 5.111 1.00 34.11 H new ATOM 0 HA SER A 27 5.839 -0.970 5.130 1.00 4.24 H new ATOM 0 HB2 SER A 27 7.873 0.114 7.121 1.00 23.11 H new ATOM 0 HB3 SER A 27 6.167 0.509 7.052 1.00 23.11 H new ATOM 0 HG SER A 27 6.657 -1.136 8.636 1.00 54.52 H new ATOM 424 N VAL A 28 6.260 1.198 4.010 1.00 30.10 N ATOM 425 CA VAL A 28 6.484 2.314 3.108 1.00 12.12 C ATOM 426 C VAL A 28 5.526 3.454 3.434 1.00 50.34 C ATOM 427 O VAL A 28 4.352 3.225 3.721 1.00 72.42 O ATOM 428 CB VAL A 28 6.319 1.881 1.630 1.00 33.42 C ATOM 429 CG1 VAL A 28 4.943 1.275 1.383 1.00 61.32 C ATOM 430 CG2 VAL A 28 6.572 3.051 0.687 1.00 74.52 C ATOM 0 H VAL A 28 5.278 1.024 4.224 1.00 30.10 H new ATOM 0 HA VAL A 28 7.509 2.660 3.245 1.00 12.12 H new ATOM 0 HB VAL A 28 7.065 1.113 1.425 1.00 33.42 H new ATOM 0 HG11 VAL A 28 4.857 0.981 0.337 1.00 61.32 H new ATOM 0 HG12 VAL A 28 4.812 0.399 2.018 1.00 61.32 H new ATOM 0 HG13 VAL A 28 4.174 2.011 1.617 1.00 61.32 H new ATOM 0 HG21 VAL A 28 6.450 2.720 -0.344 1.00 74.52 H new ATOM 0 HG22 VAL A 28 5.861 3.849 0.899 1.00 74.52 H new ATOM 0 HG23 VAL A 28 7.587 3.422 0.831 1.00 74.52 H new ATOM 440 N LYS A 29 6.031 4.678 3.409 1.00 31.11 N ATOM 441 CA LYS A 29 5.221 5.838 3.746 1.00 74.21 C ATOM 442 C LYS A 29 4.305 6.224 2.597 1.00 4.21 C ATOM 443 O LYS A 29 4.685 6.158 1.425 1.00 61.20 O ATOM 444 CB LYS A 29 6.108 7.022 4.129 1.00 22.41 C ATOM 445 CG LYS A 29 6.977 6.756 5.343 1.00 22.13 C ATOM 446 CD LYS A 29 7.848 7.949 5.680 1.00 53.14 C ATOM 447 CE LYS A 29 8.751 7.653 6.867 1.00 54.24 C ATOM 448 NZ LYS A 29 7.983 7.452 8.128 1.00 21.20 N ATOM 0 H LYS A 29 6.996 4.893 3.159 1.00 31.11 H new ATOM 0 HA LYS A 29 4.601 5.570 4.601 1.00 74.21 H new ATOM 0 HB2 LYS A 29 6.747 7.277 3.283 1.00 22.41 H new ATOM 0 HB3 LYS A 29 5.478 7.890 4.325 1.00 22.41 H new ATOM 0 HG2 LYS A 29 6.345 6.514 6.197 1.00 22.13 H new ATOM 0 HG3 LYS A 29 7.607 5.886 5.156 1.00 22.13 H new ATOM 0 HD2 LYS A 29 8.456 8.215 4.815 1.00 53.14 H new ATOM 0 HD3 LYS A 29 7.219 8.810 5.904 1.00 53.14 H new ATOM 0 HE2 LYS A 29 9.341 6.761 6.658 1.00 54.24 H new ATOM 0 HE3 LYS A 29 9.454 8.476 7.000 1.00 54.24 H new ATOM 0 HZ1 LYS A 29 8.642 7.388 8.930 1.00 21.20 H new ATOM 0 HZ2 LYS A 29 7.338 8.255 8.273 1.00 21.20 H new ATOM 0 HZ3 LYS A 29 7.432 6.572 8.062 1.00 21.20 H new ATOM 462 N PHE A 30 3.099 6.641 2.947 1.00 70.43 N ATOM 463 CA PHE A 30 2.088 6.996 1.970 1.00 52.41 C ATOM 464 C PHE A 30 2.464 8.276 1.247 1.00 54.12 C ATOM 465 O PHE A 30 2.058 8.496 0.113 1.00 44.21 O ATOM 466 CB PHE A 30 0.734 7.163 2.654 1.00 25.44 C ATOM 467 CG PHE A 30 -0.437 7.010 1.722 1.00 54.31 C ATOM 468 CD1 PHE A 30 -0.492 5.953 0.826 1.00 21.10 C ATOM 469 CD2 PHE A 30 -1.480 7.916 1.743 1.00 32.10 C ATOM 470 CE1 PHE A 30 -1.568 5.806 -0.027 1.00 41.53 C ATOM 471 CE2 PHE A 30 -2.560 7.775 0.892 1.00 52.43 C ATOM 472 CZ PHE A 30 -2.602 6.719 0.004 1.00 72.54 C ATOM 0 H PHE A 30 2.796 6.742 3.916 1.00 70.43 H new ATOM 0 HA PHE A 30 2.022 6.192 1.237 1.00 52.41 H new ATOM 0 HB2 PHE A 30 0.648 6.428 3.455 1.00 25.44 H new ATOM 0 HB3 PHE A 30 0.691 8.148 3.119 1.00 25.44 H new ATOM 0 HD1 PHE A 30 0.316 5.237 0.795 1.00 21.10 H new ATOM 0 HD2 PHE A 30 -1.451 8.746 2.434 1.00 32.10 H new ATOM 0 HE1 PHE A 30 -1.600 4.977 -0.718 1.00 41.53 H new ATOM 0 HE2 PHE A 30 -3.369 8.490 0.922 1.00 52.43 H new ATOM 0 HZ PHE A 30 -3.442 6.608 -0.665 1.00 72.54 H new ATOM 482 N GLY A 31 3.243 9.119 1.910 1.00 62.41 N ATOM 483 CA GLY A 31 3.674 10.360 1.303 1.00 53.31 C ATOM 484 C GLY A 31 4.540 10.127 0.084 1.00 22.33 C ATOM 485 O GLY A 31 4.297 10.700 -0.976 1.00 60.44 O ATOM 0 H GLY A 31 3.584 8.965 2.859 1.00 62.41 H new ATOM 0 HA2 GLY A 31 2.800 10.947 1.020 1.00 53.31 H new ATOM 0 HA3 GLY A 31 4.229 10.947 2.035 1.00 53.31 H new ATOM 489 N VAL A 32 5.526 9.251 0.227 1.00 22.51 N ATOM 490 CA VAL A 32 6.452 8.959 -0.858 1.00 51.13 C ATOM 491 C VAL A 32 5.798 8.060 -1.906 1.00 64.14 C ATOM 492 O VAL A 32 5.952 8.279 -3.105 1.00 52.41 O ATOM 493 CB VAL A 32 7.767 8.324 -0.328 1.00 33.21 C ATOM 494 CG1 VAL A 32 7.512 7.033 0.437 1.00 44.35 C ATOM 495 CG2 VAL A 32 8.760 8.090 -1.460 1.00 54.23 C ATOM 0 H VAL A 32 5.705 8.730 1.085 1.00 22.51 H new ATOM 0 HA VAL A 32 6.710 9.905 -1.334 1.00 51.13 H new ATOM 0 HB VAL A 32 8.203 9.037 0.371 1.00 33.21 H new ATOM 0 HG11 VAL A 32 8.460 6.625 0.788 1.00 44.35 H new ATOM 0 HG12 VAL A 32 6.866 7.238 1.291 1.00 44.35 H new ATOM 0 HG13 VAL A 32 7.027 6.311 -0.220 1.00 44.35 H new ATOM 0 HG21 VAL A 32 9.671 7.645 -1.059 1.00 54.23 H new ATOM 0 HG22 VAL A 32 8.321 7.417 -2.196 1.00 54.23 H new ATOM 0 HG23 VAL A 32 9.000 9.041 -1.936 1.00 54.23 H new ATOM 505 N LEU A 33 5.042 7.070 -1.442 1.00 21.23 N ATOM 506 CA LEU A 33 4.324 6.168 -2.338 1.00 72.42 C ATOM 507 C LEU A 33 3.344 6.958 -3.207 1.00 63.12 C ATOM 508 O LEU A 33 3.289 6.768 -4.421 1.00 3.20 O ATOM 509 CB LEU A 33 3.584 5.093 -1.525 1.00 75.53 C ATOM 510 CG LEU A 33 3.221 3.800 -2.276 1.00 54.33 C ATOM 511 CD1 LEU A 33 2.817 2.720 -1.290 1.00 3.44 C ATOM 512 CD2 LEU A 33 2.093 4.032 -3.270 1.00 45.04 C ATOM 0 H LEU A 33 4.910 6.871 -0.450 1.00 21.23 H new ATOM 0 HA LEU A 33 5.042 5.673 -2.992 1.00 72.42 H new ATOM 0 HB2 LEU A 33 4.201 4.828 -0.666 1.00 75.53 H new ATOM 0 HB3 LEU A 33 2.666 5.531 -1.134 1.00 75.53 H new ATOM 0 HG LEU A 33 4.103 3.479 -2.830 1.00 54.33 H new ATOM 0 HD11 LEU A 33 2.562 1.809 -1.832 1.00 3.44 H new ATOM 0 HD12 LEU A 33 3.646 2.518 -0.611 1.00 3.44 H new ATOM 0 HD13 LEU A 33 1.952 3.055 -0.717 1.00 3.44 H new ATOM 0 HD21 LEU A 33 1.862 3.098 -3.783 1.00 45.04 H new ATOM 0 HD22 LEU A 33 1.208 4.384 -2.740 1.00 45.04 H new ATOM 0 HD23 LEU A 33 2.400 4.781 -4.000 1.00 45.04 H new ATOM 524 N PHE A 34 2.591 7.863 -2.586 1.00 43.22 N ATOM 525 CA PHE A 34 1.637 8.688 -3.320 1.00 60.54 C ATOM 526 C PHE A 34 2.372 9.640 -4.256 1.00 61.32 C ATOM 527 O PHE A 34 1.902 9.929 -5.351 1.00 13.54 O ATOM 528 CB PHE A 34 0.745 9.474 -2.353 1.00 24.21 C ATOM 529 CG PHE A 34 -0.347 10.255 -3.026 1.00 34.24 C ATOM 530 CD1 PHE A 34 -1.522 9.632 -3.415 1.00 14.35 C ATOM 531 CD2 PHE A 34 -0.202 11.611 -3.265 1.00 3.23 C ATOM 532 CE1 PHE A 34 -2.528 10.345 -4.035 1.00 4.21 C ATOM 533 CE2 PHE A 34 -1.206 12.329 -3.884 1.00 11.51 C ATOM 534 CZ PHE A 34 -2.372 11.696 -4.269 1.00 53.34 C ATOM 0 H PHE A 34 2.623 8.042 -1.582 1.00 43.22 H new ATOM 0 HA PHE A 34 1.002 8.032 -3.916 1.00 60.54 H new ATOM 0 HB2 PHE A 34 0.296 8.779 -1.643 1.00 24.21 H new ATOM 0 HB3 PHE A 34 1.367 10.160 -1.778 1.00 24.21 H new ATOM 0 HD1 PHE A 34 -1.652 8.576 -3.231 1.00 14.35 H new ATOM 0 HD2 PHE A 34 0.706 12.112 -2.964 1.00 3.23 H new ATOM 0 HE1 PHE A 34 -3.437 9.846 -4.337 1.00 4.21 H new ATOM 0 HE2 PHE A 34 -1.080 13.386 -4.067 1.00 11.51 H new ATOM 0 HZ PHE A 34 -3.159 12.257 -4.752 1.00 53.34 H new ATOM 544 N ARG A 35 3.532 10.115 -3.813 1.00 34.50 N ATOM 545 CA ARG A 35 4.372 10.986 -4.627 1.00 22.54 C ATOM 546 C ARG A 35 4.804 10.269 -5.906 1.00 64.13 C ATOM 547 O ARG A 35 4.697 10.818 -7.004 1.00 72.01 O ATOM 548 CB ARG A 35 5.604 11.427 -3.829 1.00 44.04 C ATOM 549 CG ARG A 35 6.594 12.251 -4.635 1.00 63.11 C ATOM 550 CD ARG A 35 6.001 13.579 -5.071 1.00 24.23 C ATOM 551 NE ARG A 35 6.900 14.308 -5.961 1.00 71.04 N ATOM 552 CZ ARG A 35 6.483 15.115 -6.932 1.00 14.55 C ATOM 553 NH1 ARG A 35 5.185 15.339 -7.094 1.00 3.32 N ATOM 554 NH2 ARG A 35 7.360 15.713 -7.729 1.00 75.53 N ATOM 0 H ARG A 35 3.913 9.910 -2.889 1.00 34.50 H new ATOM 0 HA ARG A 35 3.794 11.868 -4.901 1.00 22.54 H new ATOM 0 HB2 ARG A 35 5.278 12.009 -2.967 1.00 44.04 H new ATOM 0 HB3 ARG A 35 6.111 10.543 -3.443 1.00 44.04 H new ATOM 0 HG2 ARG A 35 7.488 12.431 -4.038 1.00 63.11 H new ATOM 0 HG3 ARG A 35 6.906 11.687 -5.514 1.00 63.11 H new ATOM 0 HD2 ARG A 35 5.051 13.404 -5.577 1.00 24.23 H new ATOM 0 HD3 ARG A 35 5.787 14.188 -4.192 1.00 24.23 H new ATOM 0 HE ARG A 35 7.905 14.192 -5.830 1.00 71.04 H new ATOM 0 HH11 ARG A 35 4.509 14.892 -6.474 1.00 3.32 H new ATOM 0 HH12 ARG A 35 4.863 15.958 -7.838 1.00 3.32 H new ATOM 0 HH21 ARG A 35 8.359 15.554 -7.598 1.00 75.53 H new ATOM 0 HH22 ARG A 35 7.035 16.331 -8.472 1.00 75.53 H new ATOM 568 N ASP A 36 5.281 9.039 -5.753 1.00 45.41 N ATOM 569 CA ASP A 36 5.694 8.229 -6.891 1.00 64.13 C ATOM 570 C ASP A 36 4.505 7.886 -7.776 1.00 31.35 C ATOM 571 O ASP A 36 4.553 8.074 -8.993 1.00 41.01 O ATOM 572 CB ASP A 36 6.390 6.948 -6.424 1.00 0.31 C ATOM 573 CG ASP A 36 7.865 7.158 -6.157 1.00 3.22 C ATOM 574 OD1 ASP A 36 8.663 7.061 -7.115 1.00 62.11 O ATOM 575 OD2 ASP A 36 8.238 7.426 -5.000 1.00 55.42 O ATOM 0 H ASP A 36 5.391 8.580 -4.849 1.00 45.41 H new ATOM 0 HA ASP A 36 6.402 8.816 -7.476 1.00 64.13 H new ATOM 0 HB2 ASP A 36 5.907 6.585 -5.517 1.00 0.31 H new ATOM 0 HB3 ASP A 36 6.267 6.174 -7.182 1.00 0.31 H new ATOM 580 N ASP A 37 3.425 7.408 -7.162 1.00 22.24 N ATOM 581 CA ASP A 37 2.224 7.042 -7.912 1.00 54.31 C ATOM 582 C ASP A 37 1.638 8.250 -8.631 1.00 15.24 C ATOM 583 O ASP A 37 1.068 8.116 -9.697 1.00 12.40 O ATOM 584 CB ASP A 37 1.156 6.415 -7.012 1.00 73.54 C ATOM 585 CG ASP A 37 -0.105 6.052 -7.787 1.00 13.41 C ATOM 586 OD1 ASP A 37 -0.097 5.031 -8.511 1.00 73.12 O ATOM 587 OD2 ASP A 37 -1.106 6.795 -7.678 1.00 35.02 O ATOM 0 H ASP A 37 3.356 7.265 -6.154 1.00 22.24 H new ATOM 0 HA ASP A 37 2.530 6.299 -8.649 1.00 54.31 H new ATOM 0 HB2 ASP A 37 1.561 5.520 -6.539 1.00 73.54 H new ATOM 0 HB3 ASP A 37 0.902 7.111 -6.212 1.00 73.54 H new ATOM 592 N LYS A 38 1.799 9.433 -8.055 1.00 74.21 N ATOM 593 CA LYS A 38 1.266 10.649 -8.646 1.00 2.43 C ATOM 594 C LYS A 38 1.834 10.875 -10.049 1.00 30.41 C ATOM 595 O LYS A 38 1.181 11.471 -10.910 1.00 43.40 O ATOM 596 CB LYS A 38 1.591 11.843 -7.750 1.00 35.51 C ATOM 597 CG LYS A 38 0.848 13.098 -8.143 1.00 25.15 C ATOM 598 CD LYS A 38 -0.652 12.902 -8.017 1.00 72.33 C ATOM 599 CE LYS A 38 -1.431 14.034 -8.659 1.00 44.02 C ATOM 600 NZ LYS A 38 -2.895 13.779 -8.625 1.00 32.45 N ATOM 0 H LYS A 38 2.296 9.575 -7.176 1.00 74.21 H new ATOM 0 HA LYS A 38 0.185 10.544 -8.733 1.00 2.43 H new ATOM 0 HB2 LYS A 38 1.347 11.592 -6.718 1.00 35.51 H new ATOM 0 HB3 LYS A 38 2.663 12.036 -7.787 1.00 35.51 H new ATOM 0 HG2 LYS A 38 1.165 13.926 -7.509 1.00 25.15 H new ATOM 0 HG3 LYS A 38 1.099 13.367 -9.169 1.00 25.15 H new ATOM 0 HD2 LYS A 38 -0.934 11.958 -8.483 1.00 72.33 H new ATOM 0 HD3 LYS A 38 -0.921 12.830 -6.963 1.00 72.33 H new ATOM 0 HE2 LYS A 38 -1.212 14.967 -8.140 1.00 44.02 H new ATOM 0 HE3 LYS A 38 -1.107 14.159 -9.692 1.00 44.02 H new ATOM 0 HZ1 LYS A 38 -3.396 14.573 -9.072 1.00 32.45 H new ATOM 0 HZ2 LYS A 38 -3.107 12.901 -9.141 1.00 32.45 H new ATOM 0 HZ3 LYS A 38 -3.208 13.684 -7.638 1.00 32.45 H new ATOM 614 N SER A 39 3.041 10.383 -10.275 1.00 2.45 N ATOM 615 CA SER A 39 3.720 10.584 -11.545 1.00 74.14 C ATOM 616 C SER A 39 3.356 9.500 -12.566 1.00 22.23 C ATOM 617 O SER A 39 3.568 9.676 -13.765 1.00 13.23 O ATOM 618 CB SER A 39 5.232 10.608 -11.313 1.00 1.03 C ATOM 619 OG SER A 39 5.569 11.541 -10.295 1.00 3.35 O ATOM 0 H SER A 39 3.572 9.840 -9.594 1.00 2.45 H new ATOM 0 HA SER A 39 3.393 11.538 -11.958 1.00 74.14 H new ATOM 0 HB2 SER A 39 5.577 9.614 -11.031 1.00 1.03 H new ATOM 0 HB3 SER A 39 5.743 10.872 -12.239 1.00 1.03 H new ATOM 0 HG SER A 39 6.540 11.541 -10.160 1.00 3.35 H new ATOM 625 N ALA A 40 2.797 8.388 -12.097 1.00 51.21 N ATOM 626 CA ALA A 40 2.517 7.257 -12.981 1.00 52.41 C ATOM 627 C ALA A 40 1.034 6.896 -13.022 1.00 35.21 C ATOM 628 O ALA A 40 0.519 6.478 -14.059 1.00 33.24 O ATOM 629 CB ALA A 40 3.330 6.048 -12.546 1.00 52.21 C ATOM 0 H ALA A 40 2.531 8.245 -11.123 1.00 51.21 H new ATOM 0 HA ALA A 40 2.803 7.558 -13.989 1.00 52.41 H new ATOM 0 HB1 ALA A 40 3.117 5.209 -13.208 1.00 52.21 H new ATOM 0 HB2 ALA A 40 4.392 6.288 -12.594 1.00 52.21 H new ATOM 0 HB3 ALA A 40 3.064 5.780 -11.524 1.00 52.21 H new ATOM 635 N ASN A 41 0.364 7.078 -11.889 1.00 33.53 N ATOM 636 CA ASN A 41 -1.023 6.655 -11.698 1.00 41.41 C ATOM 637 C ASN A 41 -1.171 5.169 -11.990 1.00 62.23 C ATOM 638 O ASN A 41 -1.863 4.766 -12.926 1.00 31.24 O ATOM 639 CB ASN A 41 -1.994 7.468 -12.560 1.00 10.23 C ATOM 640 CG ASN A 41 -2.084 8.928 -12.148 1.00 45.33 C ATOM 641 OD1 ASN A 41 -1.913 9.209 -10.863 1.00 74.33 O flip ATOM 642 ND2 ASN A 41 -2.311 9.803 -12.987 1.00 63.43 N flip ATOM 0 H ASN A 41 0.770 7.527 -11.068 1.00 33.53 H new ATOM 0 HA ASN A 41 -1.279 6.840 -10.655 1.00 41.41 H new ATOM 0 HB2 ASN A 41 -1.680 7.410 -13.602 1.00 10.23 H new ATOM 0 HB3 ASN A 41 -2.985 7.019 -12.501 1.00 10.23 H new ATOM 0 HD21 ASN A 41 -2.437 9.550 -13.967 1.00 63.43 H new ATOM 0 HD22 ASN A 41 -2.373 10.780 -12.701 1.00 63.43 H new ATOM 649 N LEU A 42 -0.501 4.360 -11.185 1.00 23.33 N ATOM 650 CA LEU A 42 -0.525 2.917 -11.359 1.00 33.42 C ATOM 651 C LEU A 42 -1.795 2.348 -10.758 1.00 50.11 C ATOM 652 O LEU A 42 -2.476 1.522 -11.365 1.00 62.20 O ATOM 653 CB LEU A 42 0.696 2.277 -10.693 1.00 75.43 C ATOM 654 CG LEU A 42 2.052 2.722 -11.245 1.00 54.14 C ATOM 655 CD1 LEU A 42 3.183 2.068 -10.465 1.00 32.20 C ATOM 656 CD2 LEU A 42 2.163 2.390 -12.728 1.00 34.43 C ATOM 0 H LEU A 42 0.068 4.680 -10.402 1.00 23.33 H new ATOM 0 HA LEU A 42 -0.498 2.694 -12.426 1.00 33.42 H new ATOM 0 HB2 LEU A 42 0.666 2.500 -9.626 1.00 75.43 H new ATOM 0 HB3 LEU A 42 0.619 1.195 -10.795 1.00 75.43 H new ATOM 0 HG LEU A 42 2.133 3.803 -11.130 1.00 54.14 H new ATOM 0 HD11 LEU A 42 4.141 2.395 -10.870 1.00 32.20 H new ATOM 0 HD12 LEU A 42 3.115 2.356 -9.416 1.00 32.20 H new ATOM 0 HD13 LEU A 42 3.104 0.984 -10.550 1.00 32.20 H new ATOM 0 HD21 LEU A 42 3.134 2.714 -13.102 1.00 34.43 H new ATOM 0 HD22 LEU A 42 2.061 1.314 -12.869 1.00 34.43 H new ATOM 0 HD23 LEU A 42 1.373 2.904 -13.276 1.00 34.43 H new ATOM 668 N PHE A 43 -2.113 2.810 -9.562 1.00 55.25 N ATOM 669 CA PHE A 43 -3.280 2.329 -8.851 1.00 12.22 C ATOM 670 C PHE A 43 -4.506 3.146 -9.234 1.00 23.11 C ATOM 671 O PHE A 43 -4.611 4.323 -8.879 1.00 1.44 O ATOM 672 CB PHE A 43 -3.045 2.396 -7.343 1.00 21.34 C ATOM 673 CG PHE A 43 -1.808 1.666 -6.897 1.00 31.12 C ATOM 674 CD1 PHE A 43 -1.764 0.284 -6.902 1.00 20.12 C ATOM 675 CD2 PHE A 43 -0.690 2.367 -6.472 1.00 52.42 C ATOM 676 CE1 PHE A 43 -0.631 -0.389 -6.490 1.00 3.14 C ATOM 677 CE2 PHE A 43 0.446 1.701 -6.060 1.00 73.22 C ATOM 678 CZ PHE A 43 0.477 0.321 -6.069 1.00 44.42 C ATOM 0 H PHE A 43 -1.577 3.520 -9.063 1.00 55.25 H new ATOM 0 HA PHE A 43 -3.455 1.290 -9.130 1.00 12.22 H new ATOM 0 HB2 PHE A 43 -2.970 3.441 -7.041 1.00 21.34 H new ATOM 0 HB3 PHE A 43 -3.910 1.977 -6.829 1.00 21.34 H new ATOM 0 HD1 PHE A 43 -2.626 -0.276 -7.232 1.00 20.12 H new ATOM 0 HD2 PHE A 43 -0.708 3.447 -6.463 1.00 52.42 H new ATOM 0 HE1 PHE A 43 -0.611 -1.469 -6.497 1.00 3.14 H new ATOM 0 HE2 PHE A 43 1.310 2.259 -5.731 1.00 73.22 H new ATOM 0 HZ PHE A 43 1.365 -0.203 -5.748 1.00 44.42 H new ATOM 688 N GLU A 44 -5.411 2.521 -9.981 1.00 32.33 N ATOM 689 CA GLU A 44 -6.659 3.159 -10.390 1.00 71.33 C ATOM 690 C GLU A 44 -7.408 3.647 -9.151 1.00 61.33 C ATOM 691 O GLU A 44 -7.765 4.822 -9.043 1.00 30.24 O ATOM 692 CB GLU A 44 -7.509 2.153 -11.181 1.00 32.52 C ATOM 693 CG GLU A 44 -8.580 2.773 -12.071 1.00 5.02 C ATOM 694 CD GLU A 44 -9.719 3.413 -11.300 1.00 43.22 C ATOM 695 OE1 GLU A 44 -10.449 2.683 -10.594 1.00 2.31 O ATOM 696 OE2 GLU A 44 -9.898 4.646 -11.408 1.00 13.11 O ATOM 0 H GLU A 44 -5.302 1.565 -10.318 1.00 32.33 H new ATOM 0 HA GLU A 44 -6.449 4.016 -11.030 1.00 71.33 H new ATOM 0 HB2 GLU A 44 -6.847 1.550 -11.802 1.00 32.52 H new ATOM 0 HB3 GLU A 44 -7.991 1.475 -10.477 1.00 32.52 H new ATOM 0 HG2 GLU A 44 -8.118 3.525 -12.710 1.00 5.02 H new ATOM 0 HG3 GLU A 44 -8.985 2.003 -12.727 1.00 5.02 H new ATOM 703 N ALA A 45 -7.616 2.739 -8.212 1.00 41.44 N ATOM 704 CA ALA A 45 -8.205 3.084 -6.933 1.00 44.44 C ATOM 705 C ALA A 45 -7.222 2.780 -5.814 1.00 22.51 C ATOM 706 O ALA A 45 -7.259 1.702 -5.223 1.00 52.13 O ATOM 707 CB ALA A 45 -9.511 2.336 -6.722 1.00 14.53 C ATOM 0 H ALA A 45 -7.383 1.751 -8.315 1.00 41.44 H new ATOM 0 HA ALA A 45 -8.427 4.151 -6.925 1.00 44.44 H new ATOM 0 HB1 ALA A 45 -9.935 2.610 -5.756 1.00 14.53 H new ATOM 0 HB2 ALA A 45 -10.212 2.598 -7.514 1.00 14.53 H new ATOM 0 HB3 ALA A 45 -9.323 1.263 -6.744 1.00 14.53 H new ATOM 713 N LEU A 46 -6.331 3.727 -5.551 1.00 40.45 N ATOM 714 CA LEU A 46 -5.291 3.558 -4.538 1.00 64.41 C ATOM 715 C LEU A 46 -5.905 3.271 -3.170 1.00 15.24 C ATOM 716 O LEU A 46 -5.441 2.393 -2.440 1.00 12.00 O ATOM 717 CB LEU A 46 -4.404 4.809 -4.486 1.00 61.32 C ATOM 718 CG LEU A 46 -3.250 4.774 -3.477 1.00 21.14 C ATOM 719 CD1 LEU A 46 -2.375 3.549 -3.698 1.00 20.31 C ATOM 720 CD2 LEU A 46 -2.418 6.045 -3.584 1.00 45.41 C ATOM 0 H LEU A 46 -6.306 4.628 -6.028 1.00 40.45 H new ATOM 0 HA LEU A 46 -4.674 2.702 -4.811 1.00 64.41 H new ATOM 0 HB2 LEU A 46 -3.987 4.976 -5.479 1.00 61.32 H new ATOM 0 HB3 LEU A 46 -5.035 5.668 -4.257 1.00 61.32 H new ATOM 0 HG LEU A 46 -3.673 4.714 -2.474 1.00 21.14 H new ATOM 0 HD11 LEU A 46 -1.563 3.546 -2.971 1.00 20.31 H new ATOM 0 HD12 LEU A 46 -2.975 2.647 -3.577 1.00 20.31 H new ATOM 0 HD13 LEU A 46 -1.959 3.576 -4.705 1.00 20.31 H new ATOM 0 HD21 LEU A 46 -1.602 6.008 -2.862 1.00 45.41 H new ATOM 0 HD22 LEU A 46 -2.009 6.128 -4.591 1.00 45.41 H new ATOM 0 HD23 LEU A 46 -3.047 6.910 -3.376 1.00 45.41 H new ATOM 732 N VAL A 47 -6.965 3.995 -2.842 1.00 61.52 N ATOM 733 CA VAL A 47 -7.665 3.788 -1.579 1.00 41.11 C ATOM 734 C VAL A 47 -8.390 2.443 -1.589 1.00 13.33 C ATOM 735 O VAL A 47 -8.517 1.780 -0.556 1.00 15.32 O ATOM 736 CB VAL A 47 -8.678 4.925 -1.297 1.00 71.13 C ATOM 737 CG1 VAL A 47 -9.386 4.717 0.033 1.00 43.30 C ATOM 738 CG2 VAL A 47 -7.980 6.276 -1.321 1.00 31.13 C ATOM 0 H VAL A 47 -7.360 4.729 -3.430 1.00 61.52 H new ATOM 0 HA VAL A 47 -6.919 3.793 -0.785 1.00 41.11 H new ATOM 0 HB VAL A 47 -9.432 4.905 -2.084 1.00 71.13 H new ATOM 0 HG11 VAL A 47 -10.090 5.532 0.202 1.00 43.30 H new ATOM 0 HG12 VAL A 47 -9.925 3.770 0.014 1.00 43.30 H new ATOM 0 HG13 VAL A 47 -8.651 4.700 0.838 1.00 43.30 H new ATOM 0 HG21 VAL A 47 -8.706 7.064 -1.121 1.00 31.13 H new ATOM 0 HG22 VAL A 47 -7.202 6.297 -0.558 1.00 31.13 H new ATOM 0 HG23 VAL A 47 -7.531 6.436 -2.301 1.00 31.13 H new ATOM 748 N GLY A 48 -8.844 2.034 -2.770 1.00 11.55 N ATOM 749 CA GLY A 48 -9.539 0.766 -2.909 1.00 31.10 C ATOM 750 C GLY A 48 -8.610 -0.418 -2.719 1.00 51.23 C ATOM 751 O GLY A 48 -8.953 -1.381 -2.031 1.00 11.12 O ATOM 0 H GLY A 48 -8.742 2.561 -3.637 1.00 11.55 H new ATOM 0 HA2 GLY A 48 -10.346 0.714 -2.178 1.00 31.10 H new ATOM 0 HA3 GLY A 48 -9.998 0.711 -3.896 1.00 31.10 H new ATOM 755 N THR A 49 -7.436 -0.346 -3.335 1.00 33.40 N ATOM 756 CA THR A 49 -6.415 -1.372 -3.181 1.00 62.34 C ATOM 757 C THR A 49 -6.005 -1.512 -1.713 1.00 74.41 C ATOM 758 O THR A 49 -5.873 -2.628 -1.199 1.00 1.32 O ATOM 759 CB THR A 49 -5.176 -1.038 -4.033 1.00 40.23 C ATOM 760 OG1 THR A 49 -5.584 -0.659 -5.354 1.00 72.10 O ATOM 761 CG2 THR A 49 -4.239 -2.232 -4.119 1.00 44.23 C ATOM 0 H THR A 49 -7.167 0.421 -3.951 1.00 33.40 H new ATOM 0 HA THR A 49 -6.837 -2.317 -3.523 1.00 62.34 H new ATOM 0 HB THR A 49 -4.647 -0.212 -3.557 1.00 40.23 H new ATOM 0 HG1 THR A 49 -6.014 0.221 -5.324 1.00 72.10 H new ATOM 0 HG21 THR A 49 -3.372 -1.971 -4.726 1.00 44.23 H new ATOM 0 HG22 THR A 49 -3.911 -2.510 -3.117 1.00 44.23 H new ATOM 0 HG23 THR A 49 -4.762 -3.073 -4.576 1.00 44.23 H new ATOM 769 N LEU A 50 -5.819 -0.375 -1.042 1.00 70.13 N ATOM 770 CA LEU A 50 -5.491 -0.371 0.380 1.00 43.10 C ATOM 771 C LEU A 50 -6.610 -1.020 1.187 1.00 45.13 C ATOM 772 O LEU A 50 -6.355 -1.826 2.080 1.00 3.14 O ATOM 773 CB LEU A 50 -5.258 1.054 0.885 1.00 30.23 C ATOM 774 CG LEU A 50 -4.005 1.752 0.351 1.00 23.23 C ATOM 775 CD1 LEU A 50 -3.926 3.175 0.883 1.00 45.24 C ATOM 776 CD2 LEU A 50 -2.754 0.971 0.731 1.00 74.34 C ATOM 0 H LEU A 50 -5.890 0.552 -1.461 1.00 70.13 H new ATOM 0 HA LEU A 50 -4.573 -0.944 0.511 1.00 43.10 H new ATOM 0 HB2 LEU A 50 -6.127 1.658 0.625 1.00 30.23 H new ATOM 0 HB3 LEU A 50 -5.202 1.029 1.973 1.00 30.23 H new ATOM 0 HG LEU A 50 -4.068 1.790 -0.737 1.00 23.23 H new ATOM 0 HD11 LEU A 50 -3.030 3.659 0.495 1.00 45.24 H new ATOM 0 HD12 LEU A 50 -4.807 3.732 0.564 1.00 45.24 H new ATOM 0 HD13 LEU A 50 -3.885 3.155 1.972 1.00 45.24 H new ATOM 0 HD21 LEU A 50 -1.874 1.483 0.343 1.00 74.34 H new ATOM 0 HD22 LEU A 50 -2.684 0.902 1.817 1.00 74.34 H new ATOM 0 HD23 LEU A 50 -2.808 -0.031 0.306 1.00 74.34 H new ATOM 788 N LYS A 51 -7.847 -0.664 0.859 1.00 52.12 N ATOM 789 CA LYS A 51 -9.015 -1.204 1.542 1.00 11.22 C ATOM 790 C LYS A 51 -9.063 -2.723 1.411 1.00 42.42 C ATOM 791 O LYS A 51 -9.285 -3.430 2.392 1.00 13.23 O ATOM 792 CB LYS A 51 -10.291 -0.588 0.963 1.00 32.04 C ATOM 793 CG LYS A 51 -11.215 0.015 2.008 1.00 51.55 C ATOM 794 CD LYS A 51 -10.515 1.112 2.794 1.00 20.54 C ATOM 795 CE LYS A 51 -11.475 1.863 3.701 1.00 11.32 C ATOM 796 NZ LYS A 51 -12.170 0.964 4.660 1.00 52.00 N ATOM 0 H LYS A 51 -8.067 0.002 0.118 1.00 52.12 H new ATOM 0 HA LYS A 51 -8.943 -0.951 2.600 1.00 11.22 H new ATOM 0 HB2 LYS A 51 -10.016 0.186 0.246 1.00 32.04 H new ATOM 0 HB3 LYS A 51 -10.835 -1.355 0.411 1.00 32.04 H new ATOM 0 HG2 LYS A 51 -12.102 0.422 1.522 1.00 51.55 H new ATOM 0 HG3 LYS A 51 -11.555 -0.764 2.690 1.00 51.55 H new ATOM 0 HD2 LYS A 51 -9.716 0.675 3.394 1.00 20.54 H new ATOM 0 HD3 LYS A 51 -10.047 1.812 2.102 1.00 20.54 H new ATOM 0 HE2 LYS A 51 -10.926 2.625 4.254 1.00 11.32 H new ATOM 0 HE3 LYS A 51 -12.215 2.382 3.092 1.00 11.32 H new ATOM 0 HZ1 LYS A 51 -12.749 1.532 5.311 1.00 52.00 H new ATOM 0 HZ2 LYS A 51 -12.782 0.306 4.137 1.00 52.00 H new ATOM 0 HZ3 LYS A 51 -11.466 0.425 5.203 1.00 52.00 H new ATOM 810 N ALA A 52 -8.835 -3.207 0.193 1.00 74.23 N ATOM 811 CA ALA A 52 -8.846 -4.637 -0.095 1.00 61.14 C ATOM 812 C ALA A 52 -7.862 -5.386 0.789 1.00 10.04 C ATOM 813 O ALA A 52 -8.210 -6.371 1.445 1.00 60.11 O ATOM 814 CB ALA A 52 -8.494 -4.877 -1.556 1.00 11.04 C ATOM 0 H ALA A 52 -8.638 -2.621 -0.619 1.00 74.23 H new ATOM 0 HA ALA A 52 -9.849 -5.010 0.110 1.00 61.14 H new ATOM 0 HB1 ALA A 52 -8.505 -5.947 -1.762 1.00 11.04 H new ATOM 0 HB2 ALA A 52 -9.224 -4.378 -2.193 1.00 11.04 H new ATOM 0 HB3 ALA A 52 -7.501 -4.478 -1.761 1.00 11.04 H new ATOM 820 N ALA A 53 -6.635 -4.902 0.813 1.00 74.43 N ATOM 821 CA ALA A 53 -5.573 -5.563 1.544 1.00 43.45 C ATOM 822 C ALA A 53 -5.702 -5.344 3.045 1.00 22.43 C ATOM 823 O ALA A 53 -5.257 -6.171 3.827 1.00 32.13 O ATOM 824 CB ALA A 53 -4.216 -5.098 1.037 1.00 64.40 C ATOM 0 H ALA A 53 -6.349 -4.049 0.332 1.00 74.43 H new ATOM 0 HA ALA A 53 -5.661 -6.635 1.369 1.00 43.45 H new ATOM 0 HB1 ALA A 53 -3.427 -5.602 1.595 1.00 64.40 H new ATOM 0 HB2 ALA A 53 -4.122 -5.337 -0.022 1.00 64.40 H new ATOM 0 HB3 ALA A 53 -4.126 -4.021 1.175 1.00 64.40 H new ATOM 830 N LYS A 54 -6.314 -4.241 3.451 1.00 41.12 N ATOM 831 CA LYS A 54 -6.539 -3.994 4.870 1.00 34.42 C ATOM 832 C LYS A 54 -7.597 -4.957 5.408 1.00 53.31 C ATOM 833 O LYS A 54 -7.501 -5.432 6.540 1.00 5.04 O ATOM 834 CB LYS A 54 -6.949 -2.536 5.117 1.00 62.33 C ATOM 835 CG LYS A 54 -7.138 -2.188 6.588 1.00 4.44 C ATOM 836 CD LYS A 54 -7.411 -0.704 6.778 1.00 1.50 C ATOM 837 CE LYS A 54 -7.887 -0.403 8.191 1.00 3.12 C ATOM 838 NZ LYS A 54 -8.346 1.005 8.346 1.00 42.03 N ATOM 0 H LYS A 54 -6.660 -3.511 2.828 1.00 41.12 H new ATOM 0 HA LYS A 54 -5.605 -4.169 5.404 1.00 34.42 H new ATOM 0 HB2 LYS A 54 -6.190 -1.879 4.693 1.00 62.33 H new ATOM 0 HB3 LYS A 54 -7.878 -2.335 4.584 1.00 62.33 H new ATOM 0 HG2 LYS A 54 -7.966 -2.767 6.997 1.00 4.44 H new ATOM 0 HG3 LYS A 54 -6.246 -2.470 7.147 1.00 4.44 H new ATOM 0 HD2 LYS A 54 -6.504 -0.136 6.569 1.00 1.50 H new ATOM 0 HD3 LYS A 54 -8.164 -0.377 6.061 1.00 1.50 H new ATOM 0 HE2 LYS A 54 -8.702 -1.079 8.449 1.00 3.12 H new ATOM 0 HE3 LYS A 54 -7.077 -0.598 8.894 1.00 3.12 H new ATOM 0 HZ1 LYS A 54 -8.548 1.196 9.348 1.00 42.03 H new ATOM 0 HZ2 LYS A 54 -7.602 1.651 8.014 1.00 42.03 H new ATOM 0 HZ3 LYS A 54 -9.209 1.153 7.785 1.00 42.03 H new ATOM 852 N ARG A 55 -8.592 -5.265 4.577 1.00 34.42 N ATOM 853 CA ARG A 55 -9.623 -6.233 4.940 1.00 72.13 C ATOM 854 C ARG A 55 -9.018 -7.624 5.084 1.00 45.23 C ATOM 855 O ARG A 55 -9.396 -8.393 5.969 1.00 32.42 O ATOM 856 CB ARG A 55 -10.736 -6.274 3.888 1.00 40.24 C ATOM 857 CG ARG A 55 -11.539 -4.991 3.782 1.00 63.02 C ATOM 858 CD ARG A 55 -12.235 -4.655 5.090 1.00 70.21 C ATOM 859 NE ARG A 55 -13.043 -3.443 4.982 1.00 71.32 N ATOM 860 CZ ARG A 55 -13.255 -2.596 5.984 1.00 74.31 C ATOM 861 NH1 ARG A 55 -12.699 -2.814 7.175 1.00 72.12 N ATOM 862 NH2 ARG A 55 -14.022 -1.527 5.793 1.00 20.33 N ATOM 0 H ARG A 55 -8.705 -4.858 3.649 1.00 34.42 H new ATOM 0 HA ARG A 55 -10.050 -5.919 5.893 1.00 72.13 H new ATOM 0 HB2 ARG A 55 -10.294 -6.494 2.916 1.00 40.24 H new ATOM 0 HB3 ARG A 55 -11.413 -7.095 4.124 1.00 40.24 H new ATOM 0 HG2 ARG A 55 -10.879 -4.171 3.500 1.00 63.02 H new ATOM 0 HG3 ARG A 55 -12.281 -5.090 2.990 1.00 63.02 H new ATOM 0 HD2 ARG A 55 -12.870 -5.489 5.388 1.00 70.21 H new ATOM 0 HD3 ARG A 55 -11.490 -4.526 5.875 1.00 70.21 H new ATOM 0 HE ARG A 55 -13.472 -3.233 4.081 1.00 71.32 H new ATOM 0 HH11 ARG A 55 -12.109 -3.633 7.320 1.00 72.12 H new ATOM 0 HH12 ARG A 55 -12.864 -2.162 7.942 1.00 72.12 H new ATOM 0 HH21 ARG A 55 -14.445 -1.359 4.880 1.00 20.33 H new ATOM 0 HH22 ARG A 55 -14.187 -0.874 6.559 1.00 20.33 H new ATOM 876 N ARG A 56 -8.067 -7.938 4.213 1.00 2.03 N ATOM 877 CA ARG A 56 -7.426 -9.246 4.226 1.00 13.42 C ATOM 878 C ARG A 56 -6.226 -9.272 5.161 1.00 53.33 C ATOM 879 O ARG A 56 -5.574 -10.306 5.313 1.00 73.24 O ATOM 880 CB ARG A 56 -6.984 -9.642 2.820 1.00 72.13 C ATOM 881 CG ARG A 56 -8.138 -9.886 1.870 1.00 72.33 C ATOM 882 CD ARG A 56 -7.653 -10.358 0.512 1.00 25.24 C ATOM 883 NE ARG A 56 -8.770 -10.554 -0.411 1.00 42.45 N ATOM 884 CZ ARG A 56 -8.834 -10.035 -1.640 1.00 33.32 C ATOM 885 NH1 ARG A 56 -7.806 -9.357 -2.137 1.00 62.15 N ATOM 886 NH2 ARG A 56 -9.929 -10.199 -2.374 1.00 55.21 N ATOM 0 H ARG A 56 -7.723 -7.306 3.490 1.00 2.03 H new ATOM 0 HA ARG A 56 -8.162 -9.963 4.590 1.00 13.42 H new ATOM 0 HB2 ARG A 56 -6.348 -8.856 2.413 1.00 72.13 H new ATOM 0 HB3 ARG A 56 -6.376 -10.545 2.880 1.00 72.13 H new ATOM 0 HG2 ARG A 56 -8.810 -10.631 2.296 1.00 72.33 H new ATOM 0 HG3 ARG A 56 -8.714 -8.968 1.753 1.00 72.33 H new ATOM 0 HD2 ARG A 56 -6.959 -9.627 0.097 1.00 25.24 H new ATOM 0 HD3 ARG A 56 -7.103 -11.292 0.624 1.00 25.24 H new ATOM 0 HE ARG A 56 -9.553 -11.126 -0.095 1.00 42.45 H new ATOM 0 HH11 ARG A 56 -6.961 -9.230 -1.579 1.00 62.15 H new ATOM 0 HH12 ARG A 56 -7.861 -8.963 -3.076 1.00 62.15 H new ATOM 0 HH21 ARG A 56 -10.721 -10.721 -1.999 1.00 55.21 H new ATOM 0 HH22 ARG A 56 -9.978 -9.803 -3.313 1.00 55.21 H new ATOM 900 N LYS A 57 -5.944 -8.128 5.780 1.00 13.33 N ATOM 901 CA LYS A 57 -4.770 -7.966 6.634 1.00 50.41 C ATOM 902 C LYS A 57 -3.490 -8.310 5.877 1.00 4.42 C ATOM 903 O LYS A 57 -2.532 -8.836 6.443 1.00 54.03 O ATOM 904 CB LYS A 57 -4.903 -8.801 7.908 1.00 0.34 C ATOM 905 CG LYS A 57 -6.003 -8.297 8.827 1.00 44.54 C ATOM 906 CD LYS A 57 -5.808 -6.825 9.166 1.00 71.25 C ATOM 907 CE LYS A 57 -6.956 -6.275 9.998 1.00 22.32 C ATOM 908 NZ LYS A 57 -7.032 -6.917 11.335 1.00 64.31 N ATOM 0 H LYS A 57 -6.521 -7.290 5.704 1.00 13.33 H new ATOM 0 HA LYS A 57 -4.708 -6.918 6.928 1.00 50.41 H new ATOM 0 HB2 LYS A 57 -5.107 -9.837 7.639 1.00 0.34 H new ATOM 0 HB3 LYS A 57 -3.954 -8.792 8.444 1.00 0.34 H new ATOM 0 HG2 LYS A 57 -6.972 -8.437 8.349 1.00 44.54 H new ATOM 0 HG3 LYS A 57 -6.012 -8.886 9.744 1.00 44.54 H new ATOM 0 HD2 LYS A 57 -4.873 -6.699 9.711 1.00 71.25 H new ATOM 0 HD3 LYS A 57 -5.720 -6.249 8.245 1.00 71.25 H new ATOM 0 HE2 LYS A 57 -6.833 -5.199 10.119 1.00 22.32 H new ATOM 0 HE3 LYS A 57 -7.895 -6.431 9.467 1.00 22.32 H new ATOM 0 HZ1 LYS A 57 -7.761 -6.444 11.906 1.00 64.31 H new ATOM 0 HZ2 LYS A 57 -7.276 -7.922 11.224 1.00 64.31 H new ATOM 0 HZ3 LYS A 57 -6.112 -6.835 11.812 1.00 64.31 H new ATOM 922 N ILE A 58 -3.499 -8.002 4.585 1.00 34.40 N ATOM 923 CA ILE A 58 -2.308 -8.081 3.760 1.00 4.52 C ATOM 924 C ILE A 58 -1.389 -6.939 4.151 1.00 51.14 C ATOM 925 O ILE A 58 -0.179 -7.103 4.294 1.00 22.25 O ATOM 926 CB ILE A 58 -2.638 -7.952 2.254 1.00 65.31 C ATOM 927 CG1 ILE A 58 -3.787 -8.879 1.846 1.00 22.22 C ATOM 928 CG2 ILE A 58 -1.402 -8.240 1.413 1.00 23.22 C ATOM 929 CD1 ILE A 58 -3.480 -10.348 1.993 1.00 21.42 C ATOM 0 H ILE A 58 -4.332 -7.692 4.085 1.00 34.40 H new ATOM 0 HA ILE A 58 -1.841 -9.053 3.920 1.00 4.52 H new ATOM 0 HB ILE A 58 -2.959 -6.926 2.073 1.00 65.31 H new ATOM 0 HG12 ILE A 58 -4.663 -8.640 2.450 1.00 22.22 H new ATOM 0 HG13 ILE A 58 -4.051 -8.677 0.808 1.00 22.22 H new ATOM 0 HG21 ILE A 58 -1.651 -8.145 0.356 1.00 23.22 H new ATOM 0 HG22 ILE A 58 -0.616 -7.529 1.666 1.00 23.22 H new ATOM 0 HG23 ILE A 58 -1.053 -9.253 1.614 1.00 23.22 H new ATOM 0 HD11 ILE A 58 -4.346 -10.933 1.683 1.00 21.42 H new ATOM 0 HD12 ILE A 58 -2.625 -10.605 1.368 1.00 21.42 H new ATOM 0 HD13 ILE A 58 -3.247 -10.569 3.035 1.00 21.42 H new ATOM 941 N VAL A 59 -2.004 -5.779 4.343 1.00 43.43 N ATOM 942 CA VAL A 59 -1.307 -4.584 4.781 1.00 53.22 C ATOM 943 C VAL A 59 -2.123 -3.900 5.866 1.00 74.45 C ATOM 944 O VAL A 59 -3.266 -4.281 6.125 1.00 0.31 O ATOM 945 CB VAL A 59 -1.076 -3.579 3.628 1.00 42.14 C ATOM 946 CG1 VAL A 59 -0.270 -4.211 2.505 1.00 32.04 C ATOM 947 CG2 VAL A 59 -2.400 -3.046 3.103 1.00 52.32 C ATOM 0 H VAL A 59 -3.004 -5.644 4.198 1.00 43.43 H new ATOM 0 HA VAL A 59 -0.332 -4.894 5.156 1.00 53.22 H new ATOM 0 HB VAL A 59 -0.502 -2.741 4.025 1.00 42.14 H new ATOM 0 HG11 VAL A 59 -0.123 -3.482 1.708 1.00 32.04 H new ATOM 0 HG12 VAL A 59 0.699 -4.531 2.888 1.00 32.04 H new ATOM 0 HG13 VAL A 59 -0.808 -5.074 2.112 1.00 32.04 H new ATOM 0 HG21 VAL A 59 -2.213 -2.341 2.293 1.00 52.32 H new ATOM 0 HG22 VAL A 59 -3.004 -3.874 2.731 1.00 52.32 H new ATOM 0 HG23 VAL A 59 -2.934 -2.540 3.908 1.00 52.32 H new ATOM 957 N THR A 60 -1.541 -2.902 6.494 1.00 0.53 N ATOM 958 CA THR A 60 -2.250 -2.115 7.478 1.00 10.21 C ATOM 959 C THR A 60 -1.668 -0.710 7.528 1.00 11.22 C ATOM 960 O THR A 60 -0.487 -0.503 7.226 1.00 3.13 O ATOM 961 CB THR A 60 -2.187 -2.763 8.880 1.00 40.40 C ATOM 962 OG1 THR A 60 -3.011 -2.035 9.798 1.00 0.32 O ATOM 963 CG2 THR A 60 -0.759 -2.806 9.408 1.00 24.00 C ATOM 0 H THR A 60 -0.574 -2.616 6.340 1.00 0.53 H new ATOM 0 HA THR A 60 -3.298 -2.069 7.181 1.00 10.21 H new ATOM 0 HB THR A 60 -2.553 -3.786 8.788 1.00 40.40 H new ATOM 0 HG1 THR A 60 -2.965 -2.455 10.682 1.00 0.32 H new ATOM 0 HG21 THR A 60 -0.750 -3.267 10.395 1.00 24.00 H new ATOM 0 HG22 THR A 60 -0.137 -3.390 8.729 1.00 24.00 H new ATOM 0 HG23 THR A 60 -0.366 -1.792 9.478 1.00 24.00 H new ATOM 971 N TYR A 61 -2.506 0.245 7.879 1.00 32.44 N ATOM 972 CA TYR A 61 -2.097 1.631 7.974 1.00 64.00 C ATOM 973 C TYR A 61 -3.054 2.370 8.896 1.00 43.42 C ATOM 974 O TYR A 61 -4.231 2.006 8.990 1.00 44.50 O ATOM 975 CB TYR A 61 -2.062 2.286 6.582 1.00 2.04 C ATOM 976 CG TYR A 61 -3.403 2.336 5.873 1.00 12.42 C ATOM 977 CD1 TYR A 61 -3.942 1.205 5.269 1.00 64.33 C ATOM 978 CD2 TYR A 61 -4.124 3.521 5.804 1.00 4.15 C ATOM 979 CE1 TYR A 61 -5.161 1.256 4.617 1.00 34.30 C ATOM 980 CE2 TYR A 61 -5.343 3.580 5.155 1.00 51.12 C ATOM 981 CZ TYR A 61 -5.857 2.445 4.566 1.00 12.24 C ATOM 982 OH TYR A 61 -7.075 2.501 3.922 1.00 0.04 O ATOM 0 H TYR A 61 -3.487 0.082 8.106 1.00 32.44 H new ATOM 0 HA TYR A 61 -1.089 1.682 8.386 1.00 64.00 H new ATOM 0 HB2 TYR A 61 -1.681 3.302 6.683 1.00 2.04 H new ATOM 0 HB3 TYR A 61 -1.355 1.741 5.956 1.00 2.04 H new ATOM 0 HD1 TYR A 61 -3.400 0.272 5.310 1.00 64.33 H new ATOM 0 HD2 TYR A 61 -3.725 4.412 6.266 1.00 4.15 H new ATOM 0 HE1 TYR A 61 -5.565 0.370 4.151 1.00 34.30 H new ATOM 0 HE2 TYR A 61 -5.890 4.510 5.110 1.00 51.12 H new ATOM 0 HH TYR A 61 -7.433 3.411 3.979 1.00 0.04 H new ATOM 992 N PRO A 62 -2.560 3.385 9.623 1.00 74.10 N ATOM 993 CA PRO A 62 -3.396 4.179 10.525 1.00 73.12 C ATOM 994 C PRO A 62 -4.597 4.777 9.806 1.00 71.44 C ATOM 995 O PRO A 62 -4.473 5.291 8.691 1.00 55.20 O ATOM 996 CB PRO A 62 -2.455 5.287 11.009 1.00 23.12 C ATOM 997 CG PRO A 62 -1.085 4.729 10.834 1.00 52.43 C ATOM 998 CD PRO A 62 -1.156 3.822 9.639 1.00 15.52 C ATOM 0 HA PRO A 62 -3.811 3.578 11.334 1.00 73.12 H new ATOM 0 HB2 PRO A 62 -2.587 6.200 10.428 1.00 23.12 H new ATOM 0 HB3 PRO A 62 -2.648 5.542 12.051 1.00 23.12 H new ATOM 0 HG2 PRO A 62 -0.357 5.525 10.677 1.00 52.43 H new ATOM 0 HG3 PRO A 62 -0.771 4.180 11.722 1.00 52.43 H new ATOM 0 HD2 PRO A 62 -0.888 4.345 8.721 1.00 15.52 H new ATOM 0 HD3 PRO A 62 -0.474 2.977 9.735 1.00 15.52 H new ATOM 1006 N GLY A 63 -5.747 4.724 10.466 1.00 25.21 N ATOM 1007 CA GLY A 63 -6.978 5.199 9.872 1.00 14.43 C ATOM 1008 C GLY A 63 -7.271 4.551 8.530 1.00 62.41 C ATOM 1009 O GLY A 63 -6.855 3.418 8.261 1.00 31.24 O ATOM 0 H GLY A 63 -5.847 4.356 11.412 1.00 25.21 H new ATOM 0 HA2 GLY A 63 -7.805 5.002 10.554 1.00 14.43 H new ATOM 0 HA3 GLY A 63 -6.921 6.280 9.744 1.00 14.43 H new ATOM 1013 N GLU A 64 -8.027 5.259 7.710 1.00 61.01 N ATOM 1014 CA GLU A 64 -8.272 4.863 6.331 1.00 30.41 C ATOM 1015 C GLU A 64 -8.740 6.055 5.505 1.00 32.45 C ATOM 1016 O GLU A 64 -8.871 5.966 4.284 1.00 12.15 O ATOM 1017 CB GLU A 64 -9.280 3.714 6.247 1.00 52.34 C ATOM 1018 CG GLU A 64 -10.455 3.829 7.200 1.00 61.23 C ATOM 1019 CD GLU A 64 -11.363 2.624 7.114 1.00 51.43 C ATOM 1020 OE1 GLU A 64 -10.863 1.485 7.247 1.00 61.41 O ATOM 1021 OE2 GLU A 64 -12.575 2.803 6.864 1.00 75.22 O ATOM 0 H GLU A 64 -8.490 6.127 7.980 1.00 61.01 H new ATOM 0 HA GLU A 64 -7.330 4.504 5.917 1.00 30.41 H new ATOM 0 HB2 GLU A 64 -9.661 3.657 5.227 1.00 52.34 H new ATOM 0 HB3 GLU A 64 -8.759 2.777 6.445 1.00 52.34 H new ATOM 0 HG2 GLU A 64 -10.087 3.936 8.220 1.00 61.23 H new ATOM 0 HG3 GLU A 64 -11.023 4.730 6.970 1.00 61.23 H new ATOM 1028 N LEU A 65 -8.997 7.169 6.177 1.00 74.13 N ATOM 1029 CA LEU A 65 -9.314 8.411 5.496 1.00 33.20 C ATOM 1030 C LEU A 65 -8.127 9.359 5.634 1.00 12.13 C ATOM 1031 O LEU A 65 -7.996 10.062 6.637 1.00 74.21 O ATOM 1032 CB LEU A 65 -10.589 9.032 6.084 1.00 54.51 C ATOM 1033 CG LEU A 65 -11.366 9.977 5.156 1.00 33.14 C ATOM 1034 CD1 LEU A 65 -12.708 10.325 5.772 1.00 41.53 C ATOM 1035 CD2 LEU A 65 -10.582 11.250 4.867 1.00 61.34 C ATOM 0 H LEU A 65 -8.991 7.235 7.195 1.00 74.13 H new ATOM 0 HA LEU A 65 -9.500 8.220 4.439 1.00 33.20 H new ATOM 0 HB2 LEU A 65 -11.255 8.225 6.389 1.00 54.51 H new ATOM 0 HB3 LEU A 65 -10.319 9.581 6.986 1.00 54.51 H new ATOM 0 HG LEU A 65 -11.523 9.458 4.210 1.00 33.14 H new ATOM 0 HD11 LEU A 65 -13.251 10.996 5.106 1.00 41.53 H new ATOM 0 HD12 LEU A 65 -13.287 9.414 5.921 1.00 41.53 H new ATOM 0 HD13 LEU A 65 -12.551 10.816 6.732 1.00 41.53 H new ATOM 0 HD21 LEU A 65 -11.164 11.894 4.207 1.00 61.34 H new ATOM 0 HD22 LEU A 65 -10.382 11.774 5.802 1.00 61.34 H new ATOM 0 HD23 LEU A 65 -9.638 10.995 4.385 1.00 61.34 H new ATOM 1047 N LEU A 66 -7.254 9.354 4.636 1.00 32.44 N ATOM 1048 CA LEU A 66 -6.007 10.103 4.706 1.00 65.21 C ATOM 1049 C LEU A 66 -5.901 11.119 3.575 1.00 42.31 C ATOM 1050 O LEU A 66 -5.550 10.769 2.449 1.00 34.22 O ATOM 1051 CB LEU A 66 -4.820 9.140 4.647 1.00 24.43 C ATOM 1052 CG LEU A 66 -4.723 8.146 5.805 1.00 2.55 C ATOM 1053 CD1 LEU A 66 -3.619 7.133 5.544 1.00 74.32 C ATOM 1054 CD2 LEU A 66 -4.472 8.880 7.115 1.00 2.33 C ATOM 0 H LEU A 66 -7.387 8.838 3.766 1.00 32.44 H new ATOM 0 HA LEU A 66 -5.995 10.647 5.651 1.00 65.21 H new ATOM 0 HB2 LEU A 66 -4.874 8.580 3.713 1.00 24.43 H new ATOM 0 HB3 LEU A 66 -3.901 9.725 4.615 1.00 24.43 H new ATOM 0 HG LEU A 66 -5.670 7.612 5.883 1.00 2.55 H new ATOM 0 HD11 LEU A 66 -3.563 6.433 6.378 1.00 74.32 H new ATOM 0 HD12 LEU A 66 -3.836 6.587 4.626 1.00 74.32 H new ATOM 0 HD13 LEU A 66 -2.666 7.652 5.442 1.00 74.32 H new ATOM 0 HD21 LEU A 66 -4.406 8.159 7.929 1.00 2.33 H new ATOM 0 HD22 LEU A 66 -3.538 9.437 7.047 1.00 2.33 H new ATOM 0 HD23 LEU A 66 -5.293 9.571 7.308 1.00 2.33 H new ATOM 1066 N LEU A 67 -6.195 12.374 3.878 1.00 11.12 N ATOM 1067 CA LEU A 67 -6.097 13.446 2.892 1.00 35.43 C ATOM 1068 C LEU A 67 -4.660 13.945 2.772 1.00 71.00 C ATOM 1069 O LEU A 67 -3.777 13.518 3.522 1.00 21.32 O ATOM 1070 CB LEU A 67 -7.029 14.603 3.262 1.00 62.24 C ATOM 1071 CG LEU A 67 -8.523 14.262 3.267 1.00 22.02 C ATOM 1072 CD1 LEU A 67 -9.346 15.480 3.655 1.00 14.33 C ATOM 1073 CD2 LEU A 67 -8.960 13.740 1.905 1.00 0.24 C ATOM 0 H LEU A 67 -6.505 12.679 4.801 1.00 11.12 H new ATOM 0 HA LEU A 67 -6.403 13.045 1.926 1.00 35.43 H new ATOM 0 HB2 LEU A 67 -6.753 14.969 4.251 1.00 62.24 H new ATOM 0 HB3 LEU A 67 -6.862 15.421 2.562 1.00 62.24 H new ATOM 0 HG LEU A 67 -8.692 13.479 4.006 1.00 22.02 H new ATOM 0 HD11 LEU A 67 -10.404 15.220 3.653 1.00 14.33 H new ATOM 0 HD12 LEU A 67 -9.056 15.813 4.652 1.00 14.33 H new ATOM 0 HD13 LEU A 67 -9.169 16.282 2.939 1.00 14.33 H new ATOM 0 HD21 LEU A 67 -10.024 13.504 1.930 1.00 0.24 H new ATOM 0 HD22 LEU A 67 -8.775 14.501 1.147 1.00 0.24 H new ATOM 0 HD23 LEU A 67 -8.394 12.841 1.661 1.00 0.24 H new ATOM 1085 N GLN A 68 -4.427 14.846 1.828 1.00 12.44 N ATOM 1086 CA GLN A 68 -3.091 15.378 1.584 1.00 40.53 C ATOM 1087 C GLN A 68 -2.580 16.178 2.779 1.00 64.40 C ATOM 1088 O GLN A 68 -3.360 16.741 3.552 1.00 72.02 O ATOM 1089 CB GLN A 68 -3.085 16.245 0.322 1.00 33.11 C ATOM 1090 CG GLN A 68 -2.938 15.444 -0.961 1.00 72.03 C ATOM 1091 CD GLN A 68 -1.530 14.903 -1.147 1.00 75.42 C ATOM 1092 OE1 GLN A 68 -1.199 13.817 -0.672 1.00 73.22 O ATOM 1093 NE2 GLN A 68 -0.694 15.654 -1.845 1.00 72.42 N ATOM 0 H GLN A 68 -5.149 15.226 1.215 1.00 12.44 H new ATOM 0 HA GLN A 68 -2.419 14.533 1.437 1.00 40.53 H new ATOM 0 HB2 GLN A 68 -4.011 16.818 0.280 1.00 33.11 H new ATOM 0 HB3 GLN A 68 -2.268 16.964 0.388 1.00 33.11 H new ATOM 0 HG2 GLN A 68 -3.645 14.614 -0.951 1.00 72.03 H new ATOM 0 HG3 GLN A 68 -3.198 16.074 -1.812 1.00 72.03 H new ATOM 0 HE21 GLN A 68 -1.006 16.549 -2.223 1.00 72.42 H new ATOM 0 HE22 GLN A 68 0.263 15.338 -2.006 1.00 72.42 H new ATOM 1102 N GLY A 69 -1.263 16.195 2.937 1.00 72.03 N ATOM 1103 CA GLY A 69 -0.647 16.944 4.014 1.00 33.13 C ATOM 1104 C GLY A 69 -0.530 16.145 5.297 1.00 3.23 C ATOM 1105 O GLY A 69 0.501 16.182 5.960 1.00 63.24 O ATOM 0 H GLY A 69 -0.607 15.700 2.334 1.00 72.03 H new ATOM 0 HA2 GLY A 69 0.346 17.269 3.702 1.00 33.13 H new ATOM 0 HA3 GLY A 69 -1.232 17.844 4.205 1.00 33.13 H new ATOM 1109 N VAL A 70 -1.574 15.406 5.645 1.00 34.43 N ATOM 1110 CA VAL A 70 -1.613 14.711 6.926 1.00 50.30 C ATOM 1111 C VAL A 70 -1.186 13.240 6.803 1.00 45.23 C ATOM 1112 O VAL A 70 -0.991 12.559 7.807 1.00 54.33 O ATOM 1113 CB VAL A 70 -3.028 14.805 7.549 1.00 12.41 C ATOM 1114 CG1 VAL A 70 -4.036 13.986 6.756 1.00 62.21 C ATOM 1115 CG2 VAL A 70 -3.012 14.387 9.011 1.00 32.34 C ATOM 0 H VAL A 70 -2.401 15.272 5.063 1.00 34.43 H new ATOM 0 HA VAL A 70 -0.896 15.205 7.581 1.00 50.30 H new ATOM 0 HB VAL A 70 -3.340 15.848 7.504 1.00 12.41 H new ATOM 0 HG11 VAL A 70 -5.019 14.072 7.218 1.00 62.21 H new ATOM 0 HG12 VAL A 70 -4.082 14.358 5.733 1.00 62.21 H new ATOM 0 HG13 VAL A 70 -3.729 12.940 6.748 1.00 62.21 H new ATOM 0 HG21 VAL A 70 -4.019 14.463 9.422 1.00 32.34 H new ATOM 0 HG22 VAL A 70 -2.664 13.357 9.091 1.00 32.34 H new ATOM 0 HG23 VAL A 70 -2.342 15.041 9.569 1.00 32.34 H new ATOM 1125 N HIS A 71 -1.013 12.749 5.581 1.00 54.05 N ATOM 1126 CA HIS A 71 -0.751 11.320 5.398 1.00 63.20 C ATOM 1127 C HIS A 71 0.669 11.024 4.899 1.00 64.22 C ATOM 1128 O HIS A 71 0.968 9.889 4.526 1.00 43.02 O ATOM 1129 CB HIS A 71 -1.796 10.677 4.455 1.00 12.24 C ATOM 1130 CG HIS A 71 -1.712 11.075 3.002 1.00 3.14 C ATOM 1131 ND1 HIS A 71 -2.820 11.192 2.186 1.00 30.14 N ATOM 1132 CD2 HIS A 71 -0.647 11.340 2.214 1.00 33.34 C ATOM 1133 CE1 HIS A 71 -2.435 11.513 0.965 1.00 31.14 C ATOM 1134 NE2 HIS A 71 -1.119 11.610 0.952 1.00 15.34 N ATOM 0 H HIS A 71 -1.047 13.298 4.722 1.00 54.05 H new ATOM 0 HA HIS A 71 -0.838 10.871 6.387 1.00 63.20 H new ATOM 0 HB2 HIS A 71 -1.696 9.594 4.520 1.00 12.24 H new ATOM 0 HB3 HIS A 71 -2.791 10.928 4.823 1.00 12.24 H new ATOM 0 HD1 HIS A 71 -3.786 11.052 2.481 1.00 30.14 H new ATOM 0 HD2 HIS A 71 0.389 11.340 2.521 1.00 33.34 H new ATOM 0 HE1 HIS A 71 -3.087 11.670 0.119 1.00 31.14 H new ATOM 0 HE2 HIS A 71 -0.548 11.846 0.141 1.00 15.34 H new ATOM 1143 N ASP A 72 1.552 12.010 4.917 1.00 22.05 N ATOM 1144 CA ASP A 72 2.862 11.845 4.289 1.00 62.45 C ATOM 1145 C ASP A 72 3.749 10.882 5.074 1.00 44.22 C ATOM 1146 O ASP A 72 4.517 10.118 4.484 1.00 41.55 O ATOM 1147 CB ASP A 72 3.568 13.197 4.117 1.00 1.13 C ATOM 1148 CG ASP A 72 4.080 13.775 5.422 1.00 34.03 C ATOM 1149 OD1 ASP A 72 3.268 14.326 6.189 1.00 32.03 O ATOM 1150 OD2 ASP A 72 5.303 13.694 5.680 1.00 74.52 O ATOM 0 H ASP A 72 1.394 12.920 5.351 1.00 22.05 H new ATOM 0 HA ASP A 72 2.690 11.415 3.302 1.00 62.45 H new ATOM 0 HB2 ASP A 72 4.404 13.078 3.427 1.00 1.13 H new ATOM 0 HB3 ASP A 72 2.876 13.905 3.660 1.00 1.13 H new ATOM 1155 N ASP A 73 3.622 10.890 6.394 1.00 33.31 N ATOM 1156 CA ASP A 73 4.479 10.074 7.246 1.00 15.51 C ATOM 1157 C ASP A 73 3.771 8.782 7.650 1.00 1.12 C ATOM 1158 O ASP A 73 4.257 8.021 8.486 1.00 43.21 O ATOM 1159 CB ASP A 73 4.910 10.863 8.490 1.00 72.11 C ATOM 1160 CG ASP A 73 5.935 10.120 9.330 1.00 4.15 C ATOM 1161 OD1 ASP A 73 7.052 9.873 8.828 1.00 25.30 O ATOM 1162 OD2 ASP A 73 5.630 9.777 10.491 1.00 64.21 O ATOM 0 H ASP A 73 2.935 11.451 6.898 1.00 33.31 H new ATOM 0 HA ASP A 73 5.371 9.810 6.678 1.00 15.51 H new ATOM 0 HB2 ASP A 73 5.326 11.822 8.181 1.00 72.11 H new ATOM 0 HB3 ASP A 73 4.033 11.078 9.101 1.00 72.11 H new ATOM 1167 N VAL A 74 2.630 8.524 7.033 1.00 22.21 N ATOM 1168 CA VAL A 74 1.871 7.319 7.336 1.00 24.22 C ATOM 1169 C VAL A 74 2.558 6.109 6.721 1.00 71.44 C ATOM 1170 O VAL A 74 2.648 5.997 5.504 1.00 71.14 O ATOM 1171 CB VAL A 74 0.430 7.404 6.790 1.00 35.15 C ATOM 1172 CG1 VAL A 74 -0.380 6.184 7.190 1.00 40.10 C ATOM 1173 CG2 VAL A 74 -0.253 8.675 7.257 1.00 61.42 C ATOM 0 H VAL A 74 2.210 9.126 6.325 1.00 22.21 H new ATOM 0 HA VAL A 74 1.827 7.221 8.421 1.00 24.22 H new ATOM 0 HB VAL A 74 0.489 7.428 5.702 1.00 35.15 H new ATOM 0 HG11 VAL A 74 -1.391 6.272 6.791 1.00 40.10 H new ATOM 0 HG12 VAL A 74 0.092 5.287 6.789 1.00 40.10 H new ATOM 0 HG13 VAL A 74 -0.423 6.116 8.277 1.00 40.10 H new ATOM 0 HG21 VAL A 74 -1.267 8.711 6.859 1.00 61.42 H new ATOM 0 HG22 VAL A 74 -0.290 8.689 8.346 1.00 61.42 H new ATOM 0 HG23 VAL A 74 0.307 9.540 6.902 1.00 61.42 H new ATOM 1183 N ASP A 75 3.047 5.210 7.557 1.00 75.13 N ATOM 1184 CA ASP A 75 3.728 4.018 7.067 1.00 72.23 C ATOM 1185 C ASP A 75 2.750 2.868 6.900 1.00 74.52 C ATOM 1186 O ASP A 75 2.095 2.449 7.857 1.00 73.30 O ATOM 1187 CB ASP A 75 4.864 3.596 8.007 1.00 34.30 C ATOM 1188 CG ASP A 75 6.110 4.450 7.868 1.00 5.22 C ATOM 1189 OD1 ASP A 75 6.979 4.111 7.037 1.00 41.33 O ATOM 1190 OD2 ASP A 75 6.239 5.454 8.604 1.00 12.51 O ATOM 0 H ASP A 75 2.987 5.279 8.573 1.00 75.13 H new ATOM 0 HA ASP A 75 4.157 4.266 6.096 1.00 72.23 H new ATOM 0 HB2 ASP A 75 4.511 3.647 9.037 1.00 34.30 H new ATOM 0 HB3 ASP A 75 5.122 2.556 7.809 1.00 34.30 H new ATOM 1195 N ILE A 76 2.637 2.382 5.676 1.00 34.32 N ATOM 1196 CA ILE A 76 1.832 1.210 5.395 1.00 4.44 C ATOM 1197 C ILE A 76 2.680 -0.035 5.612 1.00 61.12 C ATOM 1198 O ILE A 76 3.697 -0.234 4.940 1.00 45.51 O ATOM 1199 CB ILE A 76 1.262 1.211 3.952 1.00 4.13 C ATOM 1200 CG1 ILE A 76 0.271 2.365 3.743 1.00 41.20 C ATOM 1201 CG2 ILE A 76 0.586 -0.117 3.643 1.00 52.14 C ATOM 1202 CD1 ILE A 76 0.917 3.726 3.603 1.00 63.11 C ATOM 0 H ILE A 76 3.096 2.784 4.859 1.00 34.32 H new ATOM 0 HA ILE A 76 0.979 1.220 6.074 1.00 4.44 H new ATOM 0 HB ILE A 76 2.099 1.352 3.268 1.00 4.13 H new ATOM 0 HG12 ILE A 76 -0.320 2.163 2.850 1.00 41.20 H new ATOM 0 HG13 ILE A 76 -0.422 2.390 4.584 1.00 41.20 H new ATOM 0 HG21 ILE A 76 0.192 -0.097 2.627 1.00 52.14 H new ATOM 0 HG22 ILE A 76 1.312 -0.925 3.735 1.00 52.14 H new ATOM 0 HG23 ILE A 76 -0.231 -0.281 4.345 1.00 52.14 H new ATOM 0 HD11 ILE A 76 0.145 4.482 3.459 1.00 63.11 H new ATOM 0 HD12 ILE A 76 1.484 3.954 4.505 1.00 63.11 H new ATOM 0 HD13 ILE A 76 1.588 3.724 2.744 1.00 63.11 H new ATOM 1214 N ILE A 77 2.274 -0.854 6.563 1.00 72.30 N ATOM 1215 CA ILE A 77 3.038 -2.029 6.927 1.00 34.30 C ATOM 1216 C ILE A 77 2.508 -3.266 6.213 1.00 53.13 C ATOM 1217 O ILE A 77 1.314 -3.567 6.270 1.00 43.42 O ATOM 1218 CB ILE A 77 3.012 -2.252 8.454 1.00 4.54 C ATOM 1219 CG1 ILE A 77 3.517 -0.998 9.173 1.00 42.52 C ATOM 1220 CG2 ILE A 77 3.864 -3.456 8.824 1.00 30.40 C ATOM 1221 CD1 ILE A 77 3.426 -1.083 10.680 1.00 45.54 C ATOM 0 H ILE A 77 1.416 -0.725 7.099 1.00 72.30 H new ATOM 0 HA ILE A 77 4.069 -1.861 6.616 1.00 34.30 H new ATOM 0 HB ILE A 77 1.986 -2.446 8.767 1.00 4.54 H new ATOM 0 HG12 ILE A 77 4.555 -0.821 8.890 1.00 42.52 H new ATOM 0 HG13 ILE A 77 2.942 -0.138 8.831 1.00 42.52 H new ATOM 0 HG21 ILE A 77 3.837 -3.603 9.904 1.00 30.40 H new ATOM 0 HG22 ILE A 77 3.474 -4.344 8.327 1.00 30.40 H new ATOM 0 HG23 ILE A 77 4.893 -3.285 8.506 1.00 30.40 H new ATOM 0 HD11 ILE A 77 3.801 -0.159 11.120 1.00 45.54 H new ATOM 0 HD12 ILE A 77 2.387 -1.229 10.974 1.00 45.54 H new ATOM 0 HD13 ILE A 77 4.024 -1.923 11.034 1.00 45.54 H new ATOM 1233 N LEU A 78 3.401 -3.965 5.524 1.00 43.41 N ATOM 1234 CA LEU A 78 3.052 -5.200 4.848 1.00 72.55 C ATOM 1235 C LEU A 78 3.020 -6.344 5.857 1.00 33.02 C ATOM 1236 O LEU A 78 4.058 -6.749 6.382 1.00 15.41 O ATOM 1237 CB LEU A 78 4.074 -5.492 3.742 1.00 72.25 C ATOM 1238 CG LEU A 78 3.746 -6.677 2.831 1.00 34.40 C ATOM 1239 CD1 LEU A 78 2.477 -6.406 2.045 1.00 60.52 C ATOM 1240 CD2 LEU A 78 4.904 -6.960 1.887 1.00 51.31 C ATOM 0 H LEU A 78 4.378 -3.692 5.421 1.00 43.41 H new ATOM 0 HA LEU A 78 2.065 -5.101 4.395 1.00 72.55 H new ATOM 0 HB2 LEU A 78 4.178 -4.600 3.124 1.00 72.25 H new ATOM 0 HB3 LEU A 78 5.043 -5.672 4.207 1.00 72.25 H new ATOM 0 HG LEU A 78 3.586 -7.557 3.455 1.00 34.40 H new ATOM 0 HD11 LEU A 78 2.258 -7.259 1.402 1.00 60.52 H new ATOM 0 HD12 LEU A 78 1.648 -6.250 2.735 1.00 60.52 H new ATOM 0 HD13 LEU A 78 2.612 -5.515 1.432 1.00 60.52 H new ATOM 0 HD21 LEU A 78 4.653 -7.806 1.247 1.00 51.31 H new ATOM 0 HD22 LEU A 78 5.094 -6.082 1.270 1.00 51.31 H new ATOM 0 HD23 LEU A 78 5.797 -7.196 2.467 1.00 51.31 H new ATOM 1252 N LEU A 79 1.825 -6.848 6.136 1.00 64.01 N ATOM 1253 CA LEU A 79 1.650 -7.909 7.118 1.00 0.11 C ATOM 1254 C LEU A 79 1.790 -9.270 6.457 1.00 64.40 C ATOM 1255 O LEU A 79 2.428 -10.174 6.996 1.00 74.44 O ATOM 1256 CB LEU A 79 0.279 -7.792 7.783 1.00 33.53 C ATOM 1257 CG LEU A 79 0.018 -6.476 8.515 1.00 41.10 C ATOM 1258 CD1 LEU A 79 -1.388 -6.465 9.089 1.00 73.35 C ATOM 1259 CD2 LEU A 79 1.047 -6.263 9.616 1.00 33.11 C ATOM 0 H LEU A 79 0.960 -6.537 5.694 1.00 64.01 H new ATOM 0 HA LEU A 79 2.423 -7.807 7.879 1.00 0.11 H new ATOM 0 HB2 LEU A 79 -0.489 -7.923 7.020 1.00 33.53 H new ATOM 0 HB3 LEU A 79 0.167 -8.612 8.493 1.00 33.53 H new ATOM 0 HG LEU A 79 0.109 -5.657 7.801 1.00 41.10 H new ATOM 0 HD11 LEU A 79 -1.562 -5.522 9.608 1.00 73.35 H new ATOM 0 HD12 LEU A 79 -2.112 -6.573 8.281 1.00 73.35 H new ATOM 0 HD13 LEU A 79 -1.501 -7.292 9.790 1.00 73.35 H new ATOM 0 HD21 LEU A 79 0.845 -5.321 10.126 1.00 33.11 H new ATOM 0 HD22 LEU A 79 0.989 -7.083 10.332 1.00 33.11 H new ATOM 0 HD23 LEU A 79 2.045 -6.232 9.180 1.00 33.11 H new ATOM 1271 N GLN A 80 1.199 -9.409 5.282 1.00 25.02 N ATOM 1272 CA GLN A 80 1.285 -10.650 4.533 1.00 43.15 C ATOM 1273 C GLN A 80 2.215 -10.437 3.351 1.00 72.24 C ATOM 1274 O GLN A 80 2.054 -9.477 2.602 1.00 23.14 O ATOM 1275 CB GLN A 80 -0.105 -11.057 4.039 1.00 54.34 C ATOM 1276 CG GLN A 80 -0.267 -12.546 3.790 1.00 73.21 C ATOM 1277 CD GLN A 80 -1.573 -12.869 3.093 1.00 51.45 C ATOM 1278 OE1 GLN A 80 -1.628 -12.976 1.869 1.00 60.41 O ATOM 1279 NE2 GLN A 80 -2.645 -12.995 3.861 1.00 2.12 N ATOM 0 H GLN A 80 0.654 -8.677 4.826 1.00 25.02 H new ATOM 0 HA GLN A 80 1.672 -11.445 5.171 1.00 43.15 H new ATOM 0 HB2 GLN A 80 -0.846 -10.740 4.773 1.00 54.34 H new ATOM 0 HB3 GLN A 80 -0.321 -10.520 3.115 1.00 54.34 H new ATOM 0 HG2 GLN A 80 0.565 -12.904 3.184 1.00 73.21 H new ATOM 0 HG3 GLN A 80 -0.222 -13.079 4.740 1.00 73.21 H new ATOM 0 HE21 GLN A 80 -2.561 -12.900 4.873 1.00 2.12 H new ATOM 0 HE22 GLN A 80 -3.554 -13.187 3.440 1.00 2.12 H new ATOM 1288 N ASP A 81 3.169 -11.326 3.165 1.00 12.32 N ATOM 1289 CA ASP A 81 4.142 -11.150 2.101 1.00 32.32 C ATOM 1290 C ASP A 81 4.177 -12.376 1.207 1.00 3.52 C ATOM 1291 O ASP A 81 4.967 -13.298 1.415 1.00 42.14 O ATOM 1292 CB ASP A 81 5.532 -10.861 2.675 1.00 23.54 C ATOM 1293 CG ASP A 81 6.491 -10.312 1.634 1.00 34.25 C ATOM 1294 OD1 ASP A 81 6.247 -10.499 0.423 1.00 64.44 O ATOM 1295 OD2 ASP A 81 7.494 -9.678 2.021 1.00 50.45 O ATOM 0 H ASP A 81 3.293 -12.168 3.727 1.00 12.32 H new ATOM 0 HA ASP A 81 3.840 -10.292 1.500 1.00 32.32 H new ATOM 0 HB2 ASP A 81 5.442 -10.146 3.493 1.00 23.54 H new ATOM 0 HB3 ASP A 81 5.945 -11.778 3.096 1.00 23.54 H new ATOM 1300 N LEU A 82 3.280 -12.399 0.242 1.00 13.32 N ATOM 1301 CA LEU A 82 3.232 -13.472 -0.739 1.00 2.43 C ATOM 1302 C LEU A 82 3.782 -12.984 -2.071 1.00 3.03 C ATOM 1303 O LEU A 82 4.448 -13.726 -2.794 1.00 13.52 O ATOM 1304 CB LEU A 82 1.796 -13.974 -0.937 1.00 54.41 C ATOM 1305 CG LEU A 82 0.820 -12.960 -1.548 1.00 22.24 C ATOM 1306 CD1 LEU A 82 -0.363 -13.676 -2.165 1.00 3.42 C ATOM 1307 CD2 LEU A 82 0.347 -11.962 -0.502 1.00 60.04 C ATOM 0 H LEU A 82 2.567 -11.681 0.113 1.00 13.32 H new ATOM 0 HA LEU A 82 3.842 -14.295 -0.367 1.00 2.43 H new ATOM 0 HB2 LEU A 82 1.823 -14.856 -1.576 1.00 54.41 H new ATOM 0 HB3 LEU A 82 1.404 -14.292 0.029 1.00 54.41 H new ATOM 0 HG LEU A 82 1.345 -12.410 -2.329 1.00 22.24 H new ATOM 0 HD11 LEU A 82 -1.047 -12.944 -2.595 1.00 3.42 H new ATOM 0 HD12 LEU A 82 -0.013 -14.349 -2.948 1.00 3.42 H new ATOM 0 HD13 LEU A 82 -0.881 -14.251 -1.397 1.00 3.42 H new ATOM 0 HD21 LEU A 82 -0.344 -11.254 -0.960 1.00 60.04 H new ATOM 0 HD22 LEU A 82 -0.159 -12.493 0.304 1.00 60.04 H new ATOM 0 HD23 LEU A 82 1.205 -11.423 -0.099 1.00 60.04 H new ATOM 1319 N GLU A 83 3.508 -11.713 -2.356 1.00 31.41 N ATOM 1320 CA GLU A 83 3.816 -11.103 -3.642 1.00 10.24 C ATOM 1321 C GLU A 83 3.155 -11.902 -4.768 1.00 61.42 C ATOM 1322 O GLU A 83 1.931 -11.893 -4.888 1.00 13.52 O ATOM 1323 CB GLU A 83 5.330 -10.991 -3.857 1.00 45.15 C ATOM 1324 CG GLU A 83 5.718 -10.020 -4.959 1.00 21.23 C ATOM 1325 CD GLU A 83 7.162 -10.169 -5.379 1.00 54.14 C ATOM 1326 OE1 GLU A 83 8.058 -9.799 -4.591 1.00 12.22 O ATOM 1327 OE2 GLU A 83 7.400 -10.656 -6.503 1.00 54.04 O ATOM 0 H GLU A 83 3.063 -11.076 -1.695 1.00 31.41 H new ATOM 0 HA GLU A 83 3.414 -10.090 -3.650 1.00 10.24 H new ATOM 0 HB2 GLU A 83 5.798 -10.675 -2.925 1.00 45.15 H new ATOM 0 HB3 GLU A 83 5.728 -11.977 -4.096 1.00 45.15 H new ATOM 0 HG2 GLU A 83 5.073 -10.180 -5.823 1.00 21.23 H new ATOM 0 HG3 GLU A 83 5.546 -8.999 -4.617 1.00 21.23 H new ATOM 1334 N HIS A 84 3.970 -12.597 -5.567 1.00 41.41 N ATOM 1335 CA HIS A 84 3.485 -13.467 -6.644 1.00 41.20 C ATOM 1336 C HIS A 84 4.654 -13.938 -7.501 1.00 65.14 C ATOM 1337 O HIS A 84 4.713 -15.104 -7.892 1.00 62.32 O ATOM 1338 CB HIS A 84 2.434 -12.770 -7.537 1.00 34.35 C ATOM 1339 CG HIS A 84 2.938 -11.575 -8.296 1.00 21.21 C ATOM 1340 ND1 HIS A 84 3.104 -11.566 -9.663 1.00 3.23 N ATOM 1341 CD2 HIS A 84 3.305 -10.342 -7.870 1.00 21.45 C ATOM 1342 CE1 HIS A 84 3.553 -10.387 -10.042 1.00 55.04 C ATOM 1343 NE2 HIS A 84 3.684 -9.625 -8.975 1.00 72.42 N ATOM 0 H HIS A 84 4.986 -12.573 -5.486 1.00 41.41 H new ATOM 0 HA HIS A 84 3.000 -14.321 -6.172 1.00 41.20 H new ATOM 0 HB2 HIS A 84 2.045 -13.497 -8.250 1.00 34.35 H new ATOM 0 HB3 HIS A 84 1.597 -12.458 -6.912 1.00 34.35 H new ATOM 0 HD2 HIS A 84 3.300 -9.990 -6.849 1.00 21.45 H new ATOM 0 HE1 HIS A 84 3.776 -10.094 -11.057 1.00 55.04 H new ATOM 0 HE2 HIS A 84 4.013 -8.660 -8.972 1.00 72.42 H new ATOM 1352 N HIS A 85 5.588 -13.017 -7.757 1.00 2.43 N ATOM 1353 CA HIS A 85 6.721 -13.247 -8.650 1.00 64.15 C ATOM 1354 C HIS A 85 6.259 -13.875 -9.964 1.00 63.01 C ATOM 1355 O HIS A 85 5.694 -13.142 -10.802 1.00 44.20 O ATOM 1356 CB HIS A 85 7.782 -14.121 -7.979 1.00 1.03 C ATOM 1357 CG HIS A 85 9.090 -14.124 -8.710 1.00 72.22 C ATOM 1358 ND1 HIS A 85 9.468 -15.120 -9.583 1.00 11.44 N ATOM 1359 CD2 HIS A 85 10.106 -13.232 -8.702 1.00 73.01 C ATOM 1360 CE1 HIS A 85 10.658 -14.841 -10.079 1.00 3.12 C ATOM 1361 NE2 HIS A 85 11.068 -13.700 -9.560 1.00 74.21 N ATOM 0 H HIS A 85 5.576 -12.084 -7.345 1.00 2.43 H new ATOM 0 HA HIS A 85 7.172 -12.280 -8.873 1.00 64.15 H new ATOM 0 HB2 HIS A 85 7.943 -13.769 -6.960 1.00 1.03 H new ATOM 0 HB3 HIS A 85 7.410 -15.143 -7.908 1.00 1.03 H new ATOM 0 HD2 HIS A 85 10.152 -12.319 -8.126 1.00 73.01 H new ATOM 0 HE1 HIS A 85 11.204 -15.444 -10.789 1.00 3.12 H new ATOM 0 HE2 HIS A 85 11.956 -13.241 -9.764 1.00 74.21 H new TER 1370 HIS A 85