USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= 0.754 X(o=-0.88,f=-0.54) USER MOD Set 1.2: A 27 SER OG : rot 6:sc= -1.64! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.2 (180deg=1.07) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 5 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.474 K(o=-0.47,f=-2.5!) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -1.3! C(o=-2.8!,f=-1.3!) 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 25 LYS NZ :NH3+ 139:sc= 1.16 (180deg=0.763) USER MOD Single : A 29 LYS NZ :NH3+ -148:sc= 0.947! (180deg=-0.437!) 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 F(o=-0.57,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00187 USER MOD Single : A 51 LYS NZ :NH3+ -134:sc= 1.09 (180deg=-4.69!) USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 1.71 (180deg=1.58) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0183 K(o=-0.018,f=-1.4) USER MOD Single : A 71 HIS : no HE2:sc= -1.78! C(o=-1.8!,f=-7.2!) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.585 F(o=-2.5!,f=-0.58) USER MOD Single : A 84 HIS : no HE2:sc= 1 K(o=1,f=-5!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.788 -3.129 -12.567 1.00 45.03 N ATOM 2 CA MET A 1 -9.198 -4.264 -13.426 1.00 51.21 C ATOM 3 C MET A 1 -9.632 -5.432 -12.555 1.00 1.53 C ATOM 4 O MET A 1 -10.814 -5.584 -12.237 1.00 10.12 O ATOM 5 CB MET A 1 -8.050 -4.704 -14.349 1.00 12.11 C ATOM 6 CG MET A 1 -7.529 -3.607 -15.263 1.00 10.03 C ATOM 7 SD MET A 1 -8.788 -2.986 -16.393 1.00 50.02 S ATOM 8 CE MET A 1 -7.842 -1.782 -17.322 1.00 4.42 C ATOM 0 H1 MET A 1 -8.573 -2.304 -13.162 1.00 45.03 H new ATOM 0 H2 MET A 1 -9.561 -2.892 -11.913 1.00 45.03 H new ATOM 0 H3 MET A 1 -7.942 -3.393 -12.023 1.00 45.03 H new ATOM 0 HA MET A 1 -10.031 -3.939 -14.049 1.00 51.21 H new ATOM 0 HB2 MET A 1 -7.227 -5.072 -13.736 1.00 12.11 H new ATOM 0 HB3 MET A 1 -8.391 -5.540 -14.961 1.00 12.11 H new ATOM 0 HG2 MET A 1 -7.153 -2.783 -14.657 1.00 10.03 H new ATOM 0 HG3 MET A 1 -6.686 -3.990 -15.839 1.00 10.03 H new ATOM 0 HE1 MET A 1 -8.484 -1.309 -18.065 1.00 4.42 H new ATOM 0 HE2 MET A 1 -7.452 -1.023 -16.643 1.00 4.42 H new ATOM 0 HE3 MET A 1 -7.013 -2.280 -17.824 1.00 4.42 H new ATOM 20 N ASN A 2 -8.666 -6.251 -12.166 1.00 74.02 N ATOM 21 CA ASN A 2 -8.896 -7.310 -11.201 1.00 51.40 C ATOM 22 C ASN A 2 -8.208 -6.922 -9.908 1.00 43.15 C ATOM 23 O ASN A 2 -6.983 -6.942 -9.837 1.00 43.33 O ATOM 24 CB ASN A 2 -8.350 -8.651 -11.708 1.00 74.33 C ATOM 25 CG ASN A 2 -9.038 -9.125 -12.976 1.00 42.01 C ATOM 26 OD1 ASN A 2 -10.211 -8.836 -13.205 1.00 32.11 O ATOM 27 ND2 ASN A 2 -8.315 -9.866 -13.805 1.00 13.11 N ATOM 0 H ASN A 2 -7.707 -6.199 -12.509 1.00 74.02 H new ATOM 0 HA ASN A 2 -9.967 -7.434 -11.044 1.00 51.40 H new ATOM 0 HB2 ASN A 2 -7.280 -8.555 -11.895 1.00 74.33 H new ATOM 0 HB3 ASN A 2 -8.472 -9.405 -10.930 1.00 74.33 H new ATOM 0 HD21 ASN A 2 -8.729 -10.218 -14.668 1.00 13.11 H new ATOM 0 HD22 ASN A 2 -7.344 -10.084 -13.579 1.00 13.11 H new ATOM 34 N VAL A 3 -8.992 -6.571 -8.894 1.00 3.04 N ATOM 35 CA VAL A 3 -8.451 -5.987 -7.665 1.00 20.53 C ATOM 36 C VAL A 3 -7.328 -6.841 -7.070 1.00 74.31 C ATOM 37 O VAL A 3 -6.388 -6.315 -6.481 1.00 31.32 O ATOM 38 CB VAL A 3 -9.560 -5.755 -6.610 1.00 31.15 C ATOM 39 CG1 VAL A 3 -10.147 -7.070 -6.118 1.00 14.33 C ATOM 40 CG2 VAL A 3 -9.033 -4.917 -5.451 1.00 44.21 C ATOM 0 H VAL A 3 -10.006 -6.680 -8.896 1.00 3.04 H new ATOM 0 HA VAL A 3 -8.029 -5.021 -7.941 1.00 20.53 H new ATOM 0 HB VAL A 3 -10.367 -5.201 -7.090 1.00 31.15 H new ATOM 0 HG11 VAL A 3 -10.922 -6.868 -5.379 1.00 14.33 H new ATOM 0 HG12 VAL A 3 -10.580 -7.613 -6.959 1.00 14.33 H new ATOM 0 HG13 VAL A 3 -9.360 -7.672 -5.664 1.00 14.33 H new ATOM 0 HG21 VAL A 3 -9.828 -4.765 -4.721 1.00 44.21 H new ATOM 0 HG22 VAL A 3 -8.199 -5.435 -4.977 1.00 44.21 H new ATOM 0 HG23 VAL A 3 -8.695 -3.951 -5.825 1.00 44.21 H new ATOM 50 N ASP A 4 -7.415 -8.152 -7.260 1.00 63.21 N ATOM 51 CA ASP A 4 -6.403 -9.076 -6.760 1.00 62.41 C ATOM 52 C ASP A 4 -5.038 -8.804 -7.385 1.00 71.54 C ATOM 53 O ASP A 4 -4.005 -9.041 -6.758 1.00 51.35 O ATOM 54 CB ASP A 4 -6.816 -10.526 -7.029 1.00 1.04 C ATOM 55 CG ASP A 4 -8.028 -10.942 -6.222 1.00 15.35 C ATOM 56 OD1 ASP A 4 -9.159 -10.632 -6.643 1.00 14.12 O ATOM 57 OD2 ASP A 4 -7.851 -11.580 -5.159 1.00 53.11 O ATOM 0 H ASP A 4 -8.182 -8.602 -7.760 1.00 63.21 H new ATOM 0 HA ASP A 4 -6.323 -8.919 -5.684 1.00 62.41 H new ATOM 0 HB2 ASP A 4 -7.031 -10.648 -8.091 1.00 1.04 H new ATOM 0 HB3 ASP A 4 -5.982 -11.188 -6.794 1.00 1.04 H new ATOM 62 N HIS A 5 -5.031 -8.277 -8.605 1.00 64.13 N ATOM 63 CA HIS A 5 -3.784 -8.012 -9.301 1.00 55.22 C ATOM 64 C HIS A 5 -3.222 -6.708 -8.788 1.00 71.50 C ATOM 65 O HIS A 5 -2.024 -6.572 -8.559 1.00 62.11 O ATOM 66 CB HIS A 5 -4.004 -7.944 -10.819 1.00 53.21 C ATOM 67 CG HIS A 5 -2.813 -7.437 -11.580 1.00 1.44 C ATOM 68 ND1 HIS A 5 -1.701 -8.205 -11.844 1.00 43.35 N ATOM 69 CD2 HIS A 5 -2.560 -6.221 -12.118 1.00 51.15 C ATOM 70 CE1 HIS A 5 -0.818 -7.486 -12.507 1.00 71.33 C ATOM 71 NE2 HIS A 5 -1.312 -6.276 -12.687 1.00 60.31 N ATOM 0 H HIS A 5 -5.871 -8.027 -9.127 1.00 64.13 H new ATOM 0 HA HIS A 5 -3.081 -8.823 -9.111 1.00 55.22 H new ATOM 0 HB2 HIS A 5 -4.261 -8.938 -11.185 1.00 53.21 H new ATOM 0 HB3 HIS A 5 -4.857 -7.298 -11.025 1.00 53.21 H new ATOM 0 HD2 HIS A 5 -3.219 -5.365 -12.102 1.00 51.15 H new ATOM 0 HE1 HIS A 5 0.148 -7.830 -12.846 1.00 71.33 H new ATOM 0 HE2 HIS A 5 -0.844 -5.509 -13.169 1.00 60.31 H new ATOM 80 N GLU A 6 -4.122 -5.763 -8.608 1.00 32.44 N ATOM 81 CA GLU A 6 -3.793 -4.458 -8.079 1.00 61.22 C ATOM 82 C GLU A 6 -3.194 -4.573 -6.682 1.00 13.04 C ATOM 83 O GLU A 6 -2.232 -3.885 -6.351 1.00 3.23 O ATOM 84 CB GLU A 6 -5.048 -3.590 -8.058 1.00 42.03 C ATOM 85 CG GLU A 6 -5.432 -3.037 -9.423 1.00 32.44 C ATOM 86 CD GLU A 6 -5.992 -4.055 -10.403 1.00 4.21 C ATOM 87 OE1 GLU A 6 -5.210 -4.854 -10.958 1.00 4.03 O ATOM 88 OE2 GLU A 6 -7.217 -4.024 -10.657 1.00 43.33 O ATOM 0 H GLU A 6 -5.111 -5.882 -8.827 1.00 32.44 H new ATOM 0 HA GLU A 6 -3.045 -3.992 -8.721 1.00 61.22 H new ATOM 0 HB2 GLU A 6 -5.879 -4.177 -7.667 1.00 42.03 H new ATOM 0 HB3 GLU A 6 -4.893 -2.759 -7.370 1.00 42.03 H new ATOM 0 HG2 GLU A 6 -6.171 -2.248 -9.282 1.00 32.44 H new ATOM 0 HG3 GLU A 6 -4.552 -2.573 -9.869 1.00 32.44 H new ATOM 95 N VAL A 7 -3.766 -5.452 -5.870 1.00 45.53 N ATOM 96 CA VAL A 7 -3.239 -5.716 -4.532 1.00 12.31 C ATOM 97 C VAL A 7 -1.834 -6.324 -4.614 1.00 23.13 C ATOM 98 O VAL A 7 -0.945 -5.959 -3.843 1.00 53.14 O ATOM 99 CB VAL A 7 -4.166 -6.654 -3.722 1.00 60.03 C ATOM 100 CG1 VAL A 7 -3.584 -6.944 -2.346 1.00 45.15 C ATOM 101 CG2 VAL A 7 -5.550 -6.043 -3.584 1.00 22.40 C ATOM 0 H VAL A 7 -4.595 -5.996 -6.112 1.00 45.53 H new ATOM 0 HA VAL A 7 -3.189 -4.759 -4.013 1.00 12.31 H new ATOM 0 HB VAL A 7 -4.247 -7.596 -4.265 1.00 60.03 H new ATOM 0 HG11 VAL A 7 -4.256 -7.605 -1.799 1.00 45.15 H new ATOM 0 HG12 VAL A 7 -2.612 -7.425 -2.456 1.00 45.15 H new ATOM 0 HG13 VAL A 7 -3.467 -6.010 -1.796 1.00 45.15 H new ATOM 0 HG21 VAL A 7 -6.189 -6.715 -3.012 1.00 22.40 H new ATOM 0 HG22 VAL A 7 -5.475 -5.086 -3.067 1.00 22.40 H new ATOM 0 HG23 VAL A 7 -5.980 -5.888 -4.574 1.00 22.40 H new ATOM 111 N ASN A 8 -1.630 -7.236 -5.559 1.00 63.42 N ATOM 112 CA ASN A 8 -0.310 -7.838 -5.762 1.00 74.41 C ATOM 113 C ASN A 8 0.666 -6.811 -6.329 1.00 70.13 C ATOM 114 O ASN A 8 1.872 -6.891 -6.105 1.00 2.24 O ATOM 115 CB ASN A 8 -0.394 -9.064 -6.681 1.00 51.25 C ATOM 116 CG ASN A 8 -0.993 -10.279 -5.990 1.00 43.43 C ATOM 117 OD1 ASN A 8 -0.878 -10.442 -4.775 1.00 34.45 O ATOM 118 ND2 ASN A 8 -1.633 -11.148 -6.763 1.00 45.20 N ATOM 0 H ASN A 8 -2.353 -7.575 -6.194 1.00 63.42 H new ATOM 0 HA ASN A 8 0.059 -8.170 -4.792 1.00 74.41 H new ATOM 0 HB2 ASN A 8 -0.995 -8.816 -7.556 1.00 51.25 H new ATOM 0 HB3 ASN A 8 0.605 -9.312 -7.041 1.00 51.25 H new ATOM 0 HD21 ASN A 8 -2.050 -11.984 -6.354 1.00 45.20 H new ATOM 0 HD22 ASN A 8 -1.708 -10.979 -7.766 1.00 45.20 H new ATOM 125 N LEU A 9 0.138 -5.842 -7.059 1.00 44.23 N ATOM 126 CA LEU A 9 0.939 -4.730 -7.537 1.00 65.22 C ATOM 127 C LEU A 9 1.329 -3.842 -6.363 1.00 14.45 C ATOM 128 O LEU A 9 2.470 -3.399 -6.249 1.00 44.12 O ATOM 129 CB LEU A 9 0.154 -3.935 -8.577 1.00 72.10 C ATOM 130 CG LEU A 9 0.861 -2.699 -9.122 1.00 23.25 C ATOM 131 CD1 LEU A 9 2.116 -3.088 -9.890 1.00 74.51 C ATOM 132 CD2 LEU A 9 -0.083 -1.897 -10.002 1.00 2.21 C ATOM 0 H LEU A 9 -0.844 -5.804 -7.333 1.00 44.23 H new ATOM 0 HA LEU A 9 1.847 -5.109 -8.007 1.00 65.22 H new ATOM 0 HB2 LEU A 9 -0.084 -4.595 -9.411 1.00 72.10 H new ATOM 0 HB3 LEU A 9 -0.793 -3.626 -8.135 1.00 72.10 H new ATOM 0 HG LEU A 9 1.163 -2.075 -8.281 1.00 23.25 H new ATOM 0 HD11 LEU A 9 2.603 -2.190 -10.269 1.00 74.51 H new ATOM 0 HD12 LEU A 9 2.799 -3.619 -9.226 1.00 74.51 H new ATOM 0 HD13 LEU A 9 1.846 -3.734 -10.725 1.00 74.51 H new ATOM 0 HD21 LEU A 9 0.435 -1.017 -10.384 1.00 2.21 H new ATOM 0 HD22 LEU A 9 -0.415 -2.514 -10.837 1.00 2.21 H new ATOM 0 HD23 LEU A 9 -0.947 -1.583 -9.417 1.00 2.21 H new ATOM 144 N LEU A 10 0.365 -3.613 -5.481 1.00 33.32 N ATOM 145 CA LEU A 10 0.580 -2.821 -4.281 1.00 0.35 C ATOM 146 C LEU A 10 1.711 -3.407 -3.441 1.00 2.20 C ATOM 147 O LEU A 10 2.631 -2.692 -3.045 1.00 74.41 O ATOM 148 CB LEU A 10 -0.709 -2.766 -3.455 1.00 21.21 C ATOM 149 CG LEU A 10 -0.631 -1.963 -2.153 1.00 62.24 C ATOM 150 CD1 LEU A 10 -0.412 -0.486 -2.445 1.00 31.03 C ATOM 151 CD2 LEU A 10 -1.896 -2.170 -1.328 1.00 32.40 C ATOM 0 H LEU A 10 -0.585 -3.971 -5.578 1.00 33.32 H new ATOM 0 HA LEU A 10 0.861 -1.811 -4.580 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.498 -2.341 -4.075 1.00 21.21 H new ATOM 0 HB3 LEU A 10 -1.008 -3.786 -3.214 1.00 21.21 H new ATOM 0 HG LEU A 10 0.220 -2.322 -1.575 1.00 62.24 H new ATOM 0 HD11 LEU A 10 -0.360 0.066 -1.507 1.00 31.03 H new ATOM 0 HD12 LEU A 10 0.521 -0.358 -2.994 1.00 31.03 H new ATOM 0 HD13 LEU A 10 -1.240 -0.107 -3.044 1.00 31.03 H new ATOM 0 HD21 LEU A 10 -1.827 -1.594 -0.405 1.00 32.40 H new ATOM 0 HD22 LEU A 10 -2.762 -1.837 -1.900 1.00 32.40 H new ATOM 0 HD23 LEU A 10 -2.005 -3.228 -1.088 1.00 32.40 H new ATOM 163 N VAL A 11 1.653 -4.713 -3.188 1.00 64.13 N ATOM 164 CA VAL A 11 2.659 -5.362 -2.359 1.00 65.02 C ATOM 165 C VAL A 11 4.035 -5.329 -3.025 1.00 51.13 C ATOM 166 O VAL A 11 5.047 -5.171 -2.342 1.00 4.34 O ATOM 167 CB VAL A 11 2.275 -6.816 -1.986 1.00 23.13 C ATOM 168 CG1 VAL A 11 0.954 -6.840 -1.235 1.00 22.44 C ATOM 169 CG2 VAL A 11 2.212 -7.715 -3.210 1.00 52.12 C ATOM 0 H VAL A 11 0.927 -5.335 -3.542 1.00 64.13 H new ATOM 0 HA VAL A 11 2.706 -4.790 -1.432 1.00 65.02 H new ATOM 0 HB VAL A 11 3.057 -7.207 -1.335 1.00 23.13 H new ATOM 0 HG11 VAL A 11 0.699 -7.869 -0.980 1.00 22.44 H new ATOM 0 HG12 VAL A 11 1.044 -6.252 -0.322 1.00 22.44 H new ATOM 0 HG13 VAL A 11 0.170 -6.417 -1.863 1.00 22.44 H new ATOM 0 HG21 VAL A 11 1.940 -8.726 -2.906 1.00 52.12 H new ATOM 0 HG22 VAL A 11 1.465 -7.332 -3.905 1.00 52.12 H new ATOM 0 HG23 VAL A 11 3.186 -7.733 -3.698 1.00 52.12 H new ATOM 179 N GLU A 12 4.078 -5.436 -4.355 1.00 63.11 N ATOM 180 CA GLU A 12 5.339 -5.367 -5.074 1.00 75.10 C ATOM 181 C GLU A 12 5.975 -3.994 -4.876 1.00 33.41 C ATOM 182 O GLU A 12 7.180 -3.883 -4.663 1.00 30.24 O ATOM 183 CB GLU A 12 5.145 -5.648 -6.567 1.00 44.05 C ATOM 184 CG GLU A 12 6.453 -5.931 -7.279 1.00 23.10 C ATOM 185 CD GLU A 12 6.304 -6.108 -8.778 1.00 23.15 C ATOM 186 OE1 GLU A 12 5.555 -7.008 -9.210 1.00 3.33 O ATOM 187 OE2 GLU A 12 6.964 -5.360 -9.536 1.00 51.42 O ATOM 0 H GLU A 12 3.258 -5.570 -4.946 1.00 63.11 H new ATOM 0 HA GLU A 12 6.001 -6.134 -4.672 1.00 75.10 H new ATOM 0 HB2 GLU A 12 4.477 -6.500 -6.689 1.00 44.05 H new ATOM 0 HB3 GLU A 12 4.658 -4.792 -7.034 1.00 44.05 H new ATOM 0 HG2 GLU A 12 7.146 -5.113 -7.086 1.00 23.10 H new ATOM 0 HG3 GLU A 12 6.898 -6.832 -6.858 1.00 23.10 H new ATOM 194 N GLU A 13 5.148 -2.952 -4.913 1.00 24.14 N ATOM 195 CA GLU A 13 5.621 -1.595 -4.683 1.00 1.33 C ATOM 196 C GLU A 13 6.103 -1.430 -3.245 1.00 25.14 C ATOM 197 O GLU A 13 7.067 -0.716 -2.984 1.00 72.12 O ATOM 198 CB GLU A 13 4.526 -0.574 -4.988 1.00 72.14 C ATOM 199 CG GLU A 13 4.077 -0.575 -6.440 1.00 34.43 C ATOM 200 CD GLU A 13 5.242 -0.563 -7.410 1.00 2.40 C ATOM 201 OE1 GLU A 13 6.156 0.269 -7.246 1.00 24.01 O ATOM 202 OE2 GLU A 13 5.260 -1.405 -8.328 1.00 24.25 O ATOM 0 H GLU A 13 4.148 -3.024 -5.100 1.00 24.14 H new ATOM 0 HA GLU A 13 6.458 -1.415 -5.358 1.00 1.33 H new ATOM 0 HB2 GLU A 13 3.665 -0.776 -4.351 1.00 72.14 H new ATOM 0 HB3 GLU A 13 4.887 0.421 -4.729 1.00 72.14 H new ATOM 0 HG2 GLU A 13 3.463 -1.456 -6.626 1.00 34.43 H new ATOM 0 HG3 GLU A 13 3.448 0.296 -6.623 1.00 34.43 H new ATOM 209 N ILE A 14 5.434 -2.102 -2.317 1.00 41.30 N ATOM 210 CA ILE A 14 5.845 -2.083 -0.917 1.00 23.12 C ATOM 211 C ILE A 14 7.191 -2.791 -0.751 1.00 63.13 C ATOM 212 O ILE A 14 8.009 -2.407 0.078 1.00 43.52 O ATOM 213 CB ILE A 14 4.783 -2.732 0.002 1.00 4.01 C ATOM 214 CG1 ILE A 14 3.447 -2.000 -0.152 1.00 34.13 C ATOM 215 CG2 ILE A 14 5.241 -2.701 1.457 1.00 2.03 C ATOM 216 CD1 ILE A 14 2.305 -2.644 0.598 1.00 72.32 C ATOM 0 H ILE A 14 4.606 -2.666 -2.507 1.00 41.30 H new ATOM 0 HA ILE A 14 5.948 -1.040 -0.618 1.00 23.12 H new ATOM 0 HB ILE A 14 4.654 -3.774 -0.292 1.00 4.01 H new ATOM 0 HG12 ILE A 14 3.564 -0.974 0.196 1.00 34.13 H new ATOM 0 HG13 ILE A 14 3.191 -1.950 -1.210 1.00 34.13 H new ATOM 0 HG21 ILE A 14 4.481 -3.162 2.088 1.00 2.03 H new ATOM 0 HG22 ILE A 14 6.177 -3.251 1.556 1.00 2.03 H new ATOM 0 HG23 ILE A 14 5.393 -1.668 1.769 1.00 2.03 H new ATOM 0 HD11 ILE A 14 1.394 -2.067 0.439 1.00 72.32 H new ATOM 0 HD12 ILE A 14 2.159 -3.661 0.234 1.00 72.32 H new ATOM 0 HD13 ILE A 14 2.537 -2.669 1.663 1.00 72.32 H new ATOM 228 N HIS A 15 7.422 -3.825 -1.550 1.00 50.10 N ATOM 229 CA HIS A 15 8.724 -4.489 -1.579 1.00 12.22 C ATOM 230 C HIS A 15 9.770 -3.586 -2.229 1.00 13.21 C ATOM 231 O HIS A 15 10.950 -3.636 -1.886 1.00 54.55 O ATOM 232 CB HIS A 15 8.657 -5.819 -2.340 1.00 1.43 C ATOM 233 CG HIS A 15 8.056 -6.957 -1.569 1.00 64.43 C ATOM 234 ND1 HIS A 15 6.771 -7.253 -1.276 1.00 74.00 N flip ATOM 235 CD2 HIS A 15 8.808 -7.980 -1.039 1.00 22.35 C flip ATOM 236 CE1 HIS A 15 6.760 -8.442 -0.588 1.00 62.03 C flip ATOM 237 NE2 HIS A 15 8.007 -8.853 -0.458 1.00 10.40 N flip ATOM 0 H HIS A 15 6.730 -4.222 -2.185 1.00 50.10 H new ATOM 0 HA HIS A 15 9.009 -4.693 -0.547 1.00 12.22 H new ATOM 0 HB2 HIS A 15 8.078 -5.671 -3.252 1.00 1.43 H new ATOM 0 HB3 HIS A 15 9.666 -6.098 -2.645 1.00 1.43 H new ATOM 0 HD1 HIS A 15 5.954 -6.693 -1.522 1.00 74.00 H new ATOM 0 HD2 HIS A 15 9.884 -8.056 -1.090 1.00 22.35 H new ATOM 0 HE1 HIS A 15 5.883 -8.952 -0.218 1.00 62.03 H new ATOM 246 N ARG A 16 9.318 -2.763 -3.167 1.00 21.23 N ATOM 247 CA ARG A 16 10.211 -1.922 -3.960 1.00 25.14 C ATOM 248 C ARG A 16 10.639 -0.669 -3.196 1.00 53.51 C ATOM 249 O ARG A 16 11.824 -0.345 -3.131 1.00 43.13 O ATOM 250 CB ARG A 16 9.502 -1.500 -5.249 1.00 64.20 C ATOM 251 CG ARG A 16 10.432 -0.903 -6.290 1.00 5.14 C ATOM 252 CD ARG A 16 9.663 -0.240 -7.427 1.00 45.35 C ATOM 253 NE ARG A 16 8.496 -1.016 -7.846 1.00 44.14 N ATOM 254 CZ ARG A 16 8.548 -2.180 -8.495 1.00 62.22 C ATOM 255 NH1 ARG A 16 9.717 -2.703 -8.854 1.00 20.10 N ATOM 256 NH2 ARG A 16 7.423 -2.800 -8.809 1.00 62.41 N ATOM 0 H ARG A 16 8.330 -2.659 -3.400 1.00 21.23 H new ATOM 0 HA ARG A 16 11.104 -2.506 -4.185 1.00 25.14 H new ATOM 0 HB2 ARG A 16 9.000 -2.367 -5.678 1.00 64.20 H new ATOM 0 HB3 ARG A 16 8.728 -0.772 -5.006 1.00 64.20 H new ATOM 0 HG2 ARG A 16 11.084 -0.169 -5.816 1.00 5.14 H new ATOM 0 HG3 ARG A 16 11.074 -1.685 -6.694 1.00 5.14 H new ATOM 0 HD2 ARG A 16 9.340 0.752 -7.112 1.00 45.35 H new ATOM 0 HD3 ARG A 16 10.329 -0.103 -8.279 1.00 45.35 H new ATOM 0 HE ARG A 16 7.574 -0.639 -7.626 1.00 44.14 H new ATOM 0 HH11 ARG A 16 10.584 -2.213 -8.633 1.00 20.10 H new ATOM 0 HH12 ARG A 16 9.746 -3.594 -9.350 1.00 20.10 H new ATOM 0 HH21 ARG A 16 6.525 -2.388 -8.555 1.00 62.41 H new ATOM 0 HH22 ARG A 16 7.453 -3.691 -9.305 1.00 62.41 H new ATOM 270 N LEU A 17 9.672 0.028 -2.617 1.00 32.31 N ATOM 271 CA LEU A 17 9.927 1.311 -1.973 1.00 55.21 C ATOM 272 C LEU A 17 9.905 1.180 -0.457 1.00 63.10 C ATOM 273 O LEU A 17 10.154 2.145 0.266 1.00 23.41 O ATOM 274 CB LEU A 17 8.877 2.338 -2.410 1.00 12.54 C ATOM 275 CG LEU A 17 8.786 2.586 -3.918 1.00 21.03 C ATOM 276 CD1 LEU A 17 7.644 3.542 -4.229 1.00 33.34 C ATOM 277 CD2 LEU A 17 10.101 3.135 -4.456 1.00 52.12 C ATOM 0 H LEU A 17 8.699 -0.274 -2.579 1.00 32.31 H new ATOM 0 HA LEU A 17 10.918 1.646 -2.278 1.00 55.21 H new ATOM 0 HB2 LEU A 17 7.901 2.008 -2.054 1.00 12.54 H new ATOM 0 HB3 LEU A 17 9.093 3.285 -1.916 1.00 12.54 H new ATOM 0 HG LEU A 17 8.588 1.634 -4.410 1.00 21.03 H new ATOM 0 HD11 LEU A 17 7.592 3.709 -5.305 1.00 33.34 H new ATOM 0 HD12 LEU A 17 6.704 3.111 -3.883 1.00 33.34 H new ATOM 0 HD13 LEU A 17 7.816 4.492 -3.723 1.00 33.34 H new ATOM 0 HD21 LEU A 17 10.013 3.304 -5.529 1.00 52.12 H new ATOM 0 HD22 LEU A 17 10.333 4.077 -3.959 1.00 52.12 H new ATOM 0 HD23 LEU A 17 10.900 2.418 -4.266 1.00 52.12 H new ATOM 289 N GLY A 18 9.605 -0.015 0.022 1.00 22.40 N ATOM 290 CA GLY A 18 9.466 -0.223 1.443 1.00 43.31 C ATOM 291 C GLY A 18 10.769 -0.601 2.113 1.00 24.12 C ATOM 292 O GLY A 18 11.678 -1.143 1.482 1.00 64.44 O ATOM 0 H GLY A 18 9.455 -0.846 -0.550 1.00 22.40 H new ATOM 0 HA2 GLY A 18 9.078 0.686 1.902 1.00 43.31 H new ATOM 0 HA3 GLY A 18 8.731 -1.008 1.620 1.00 43.31 H new ATOM 296 N SER A 19 10.852 -0.298 3.392 1.00 55.04 N ATOM 297 CA SER A 19 12.005 -0.646 4.207 1.00 74.01 C ATOM 298 C SER A 19 11.547 -1.533 5.360 1.00 2.43 C ATOM 299 O SER A 19 10.374 -1.506 5.729 1.00 42.23 O ATOM 300 CB SER A 19 12.668 0.626 4.733 1.00 24.22 C ATOM 301 OG SER A 19 12.911 1.537 3.671 1.00 32.31 O ATOM 0 H SER A 19 10.120 0.199 3.901 1.00 55.04 H new ATOM 0 HA SER A 19 12.736 -1.190 3.608 1.00 74.01 H new ATOM 0 HB2 SER A 19 12.028 1.094 5.482 1.00 24.22 H new ATOM 0 HB3 SER A 19 13.607 0.376 5.227 1.00 24.22 H new ATOM 0 HG SER A 19 13.334 2.347 4.025 1.00 32.31 H new ATOM 307 N LYS A 20 12.447 -2.331 5.914 1.00 32.13 N ATOM 308 CA LYS A 20 12.077 -3.243 6.985 1.00 55.24 C ATOM 309 C LYS A 20 12.114 -2.557 8.339 1.00 31.20 C ATOM 310 O LYS A 20 13.068 -1.858 8.674 1.00 13.23 O ATOM 311 CB LYS A 20 12.978 -4.476 6.999 1.00 1.10 C ATOM 312 CG LYS A 20 12.590 -5.518 5.965 1.00 31.33 C ATOM 313 CD LYS A 20 13.432 -6.777 6.082 1.00 25.42 C ATOM 314 CE LYS A 20 14.884 -6.531 5.701 1.00 15.44 C ATOM 315 NZ LYS A 20 15.712 -7.753 5.871 1.00 43.13 N ATOM 0 H LYS A 20 13.430 -2.366 5.643 1.00 32.13 H new ATOM 0 HA LYS A 20 11.053 -3.563 6.791 1.00 55.24 H new ATOM 0 HB2 LYS A 20 14.008 -4.166 6.823 1.00 1.10 H new ATOM 0 HB3 LYS A 20 12.946 -4.929 7.990 1.00 1.10 H new ATOM 0 HG2 LYS A 20 11.537 -5.774 6.085 1.00 31.33 H new ATOM 0 HG3 LYS A 20 12.704 -5.097 4.966 1.00 31.33 H new ATOM 0 HD2 LYS A 20 13.384 -7.151 7.105 1.00 25.42 H new ATOM 0 HD3 LYS A 20 13.015 -7.552 5.439 1.00 25.42 H new ATOM 0 HE2 LYS A 20 14.937 -6.197 4.665 1.00 15.44 H new ATOM 0 HE3 LYS A 20 15.290 -5.728 6.316 1.00 15.44 H new ATOM 0 HZ1 LYS A 20 16.695 -7.546 5.602 1.00 43.13 H new ATOM 0 HZ2 LYS A 20 15.682 -8.057 6.865 1.00 43.13 H new ATOM 0 HZ3 LYS A 20 15.339 -8.512 5.265 1.00 43.13 H new ATOM 329 N ASN A 21 11.052 -2.755 9.103 1.00 34.23 N ATOM 330 CA ASN A 21 10.969 -2.242 10.466 1.00 61.31 C ATOM 331 C ASN A 21 11.716 -3.172 11.405 1.00 42.50 C ATOM 332 O ASN A 21 12.143 -4.254 11.001 1.00 42.52 O ATOM 333 CB ASN A 21 9.509 -2.146 10.924 1.00 72.21 C ATOM 334 CG ASN A 21 8.665 -1.245 10.051 1.00 24.53 C ATOM 335 OD1 ASN A 21 9.150 -0.265 9.487 1.00 4.24 O ATOM 336 ND2 ASN A 21 7.387 -1.570 9.951 1.00 15.11 N ATOM 0 H ASN A 21 10.226 -3.272 8.801 1.00 34.23 H new ATOM 0 HA ASN A 21 11.414 -1.247 10.485 1.00 61.31 H new ATOM 0 HB2 ASN A 21 9.072 -3.145 10.933 1.00 72.21 H new ATOM 0 HB3 ASN A 21 9.481 -1.777 11.949 1.00 72.21 H new ATOM 0 HD21 ASN A 21 6.758 -0.998 9.387 1.00 15.11 H new ATOM 0 HD22 ASN A 21 7.030 -2.393 10.437 1.00 15.11 H new ATOM 343 N ALA A 22 11.840 -2.774 12.664 1.00 52.05 N ATOM 344 CA ALA A 22 12.485 -3.617 13.664 1.00 50.51 C ATOM 345 C ALA A 22 11.642 -4.859 13.941 1.00 14.32 C ATOM 346 O ALA A 22 12.123 -5.843 14.501 1.00 32.01 O ATOM 347 CB ALA A 22 12.720 -2.833 14.945 1.00 73.54 C ATOM 0 H ALA A 22 11.505 -1.878 13.017 1.00 52.05 H new ATOM 0 HA ALA A 22 13.451 -3.939 13.275 1.00 50.51 H new ATOM 0 HB1 ALA A 22 13.202 -3.476 15.682 1.00 73.54 H new ATOM 0 HB2 ALA A 22 13.361 -1.977 14.735 1.00 73.54 H new ATOM 0 HB3 ALA A 22 11.765 -2.483 15.338 1.00 73.54 H new ATOM 353 N ASP A 23 10.381 -4.802 13.523 1.00 15.54 N ATOM 354 CA ASP A 23 9.453 -5.918 13.680 1.00 4.54 C ATOM 355 C ASP A 23 9.706 -6.985 12.612 1.00 51.12 C ATOM 356 O ASP A 23 9.244 -8.118 12.725 1.00 52.44 O ATOM 357 CB ASP A 23 8.010 -5.409 13.589 1.00 34.31 C ATOM 358 CG ASP A 23 6.979 -6.504 13.800 1.00 72.45 C ATOM 359 OD1 ASP A 23 6.901 -7.046 14.923 1.00 42.13 O ATOM 360 OD2 ASP A 23 6.233 -6.813 12.851 1.00 53.25 O ATOM 0 H ASP A 23 9.975 -3.985 13.068 1.00 15.54 H new ATOM 0 HA ASP A 23 9.612 -6.370 14.659 1.00 4.54 H new ATOM 0 HB2 ASP A 23 7.859 -4.627 14.333 1.00 34.31 H new ATOM 0 HB3 ASP A 23 7.853 -4.953 12.612 1.00 34.31 H new ATOM 365 N GLY A 24 10.460 -6.618 11.581 1.00 3.14 N ATOM 366 CA GLY A 24 10.791 -7.567 10.531 1.00 54.21 C ATOM 367 C GLY A 24 9.826 -7.514 9.363 1.00 2.12 C ATOM 368 O GLY A 24 9.828 -8.400 8.509 1.00 61.32 O ATOM 0 H GLY A 24 10.847 -5.683 11.453 1.00 3.14 H new ATOM 0 HA2 GLY A 24 11.800 -7.366 10.171 1.00 54.21 H new ATOM 0 HA3 GLY A 24 10.795 -8.575 10.947 1.00 54.21 H new ATOM 372 N LYS A 25 8.999 -6.480 9.325 1.00 14.52 N ATOM 373 CA LYS A 25 8.038 -6.315 8.243 1.00 14.53 C ATOM 374 C LYS A 25 8.391 -5.108 7.388 1.00 42.40 C ATOM 375 O LYS A 25 9.005 -4.153 7.869 1.00 54.01 O ATOM 376 CB LYS A 25 6.621 -6.168 8.800 1.00 25.33 C ATOM 377 CG LYS A 25 6.103 -7.423 9.482 1.00 61.41 C ATOM 378 CD LYS A 25 4.720 -7.210 10.073 1.00 32.22 C ATOM 379 CE LYS A 25 4.210 -8.467 10.761 1.00 1.24 C ATOM 380 NZ LYS A 25 5.181 -8.991 11.763 1.00 12.30 N ATOM 0 H LYS A 25 8.973 -5.743 10.030 1.00 14.52 H new ATOM 0 HA LYS A 25 8.078 -7.207 7.617 1.00 14.53 H new ATOM 0 HB2 LYS A 25 6.603 -5.343 9.513 1.00 25.33 H new ATOM 0 HB3 LYS A 25 5.946 -5.901 7.987 1.00 25.33 H new ATOM 0 HG2 LYS A 25 6.069 -8.241 8.762 1.00 61.41 H new ATOM 0 HG3 LYS A 25 6.794 -7.720 10.271 1.00 61.41 H new ATOM 0 HD2 LYS A 25 4.751 -6.389 10.789 1.00 32.22 H new ATOM 0 HD3 LYS A 25 4.027 -6.919 9.284 1.00 32.22 H new ATOM 0 HE2 LYS A 25 3.262 -8.251 11.254 1.00 1.24 H new ATOM 0 HE3 LYS A 25 4.012 -9.234 10.013 1.00 1.24 H new ATOM 0 HZ1 LYS A 25 4.668 -9.306 12.611 1.00 12.30 H new ATOM 0 HZ2 LYS A 25 5.702 -9.793 11.355 1.00 12.30 H new ATOM 0 HZ3 LYS A 25 5.851 -8.239 12.023 1.00 12.30 H new ATOM 394 N LEU A 26 8.004 -5.164 6.120 1.00 53.14 N ATOM 395 CA LEU A 26 8.244 -4.072 5.190 1.00 33.40 C ATOM 396 C LEU A 26 7.212 -2.975 5.377 1.00 43.12 C ATOM 397 O LEU A 26 6.034 -3.248 5.611 1.00 61.14 O ATOM 398 CB LEU A 26 8.207 -4.580 3.747 1.00 41.33 C ATOM 399 CG LEU A 26 9.418 -5.408 3.317 1.00 35.32 C ATOM 400 CD1 LEU A 26 9.167 -6.045 1.961 1.00 25.41 C ATOM 401 CD2 LEU A 26 10.663 -4.532 3.268 1.00 53.22 C ATOM 0 H LEU A 26 7.518 -5.962 5.711 1.00 53.14 H new ATOM 0 HA LEU A 26 9.233 -3.662 5.395 1.00 33.40 H new ATOM 0 HB2 LEU A 26 7.309 -5.183 3.614 1.00 41.33 H new ATOM 0 HB3 LEU A 26 8.117 -3.723 3.079 1.00 41.33 H new ATOM 0 HG LEU A 26 9.577 -6.200 4.048 1.00 35.32 H new ATOM 0 HD11 LEU A 26 10.038 -6.631 1.668 1.00 25.41 H new ATOM 0 HD12 LEU A 26 8.295 -6.696 2.021 1.00 25.41 H new ATOM 0 HD13 LEU A 26 8.988 -5.266 1.220 1.00 25.41 H new ATOM 0 HD21 LEU A 26 11.519 -5.133 2.961 1.00 53.22 H new ATOM 0 HD22 LEU A 26 10.511 -3.724 2.553 1.00 53.22 H new ATOM 0 HD23 LEU A 26 10.851 -4.111 4.256 1.00 53.22 H new ATOM 413 N SER A 27 7.662 -1.739 5.305 1.00 12.31 N ATOM 414 CA SER A 27 6.775 -0.604 5.413 1.00 53.40 C ATOM 415 C SER A 27 7.219 0.524 4.501 1.00 65.22 C ATOM 416 O SER A 27 8.414 0.748 4.302 1.00 2.45 O ATOM 417 CB SER A 27 6.711 -0.136 6.860 1.00 64.01 C ATOM 418 OG SER A 27 6.144 -1.144 7.670 1.00 43.10 O ATOM 0 H SER A 27 8.644 -1.496 5.171 1.00 12.31 H new ATOM 0 HA SER A 27 5.778 -0.910 5.096 1.00 53.40 H new ATOM 0 HB2 SER A 27 7.712 0.108 7.216 1.00 64.01 H new ATOM 0 HB3 SER A 27 6.117 0.775 6.930 1.00 64.01 H new ATOM 0 HG SER A 27 6.008 -1.955 7.136 1.00 43.10 H new ATOM 424 N VAL A 28 6.246 1.213 3.937 1.00 25.12 N ATOM 425 CA VAL A 28 6.503 2.333 3.054 1.00 73.12 C ATOM 426 C VAL A 28 5.492 3.435 3.335 1.00 43.44 C ATOM 427 O VAL A 28 4.315 3.160 3.558 1.00 22.04 O ATOM 428 CB VAL A 28 6.442 1.908 1.564 1.00 4.34 C ATOM 429 CG1 VAL A 28 5.102 1.266 1.228 1.00 41.41 C ATOM 430 CG2 VAL A 28 6.715 3.094 0.647 1.00 61.43 C ATOM 0 H VAL A 28 5.256 1.012 4.078 1.00 25.12 H new ATOM 0 HA VAL A 28 7.511 2.702 3.245 1.00 73.12 H new ATOM 0 HB VAL A 28 7.222 1.164 1.401 1.00 4.34 H new ATOM 0 HG11 VAL A 28 5.090 0.979 0.177 1.00 41.41 H new ATOM 0 HG12 VAL A 28 4.957 0.381 1.848 1.00 41.41 H new ATOM 0 HG13 VAL A 28 4.299 1.978 1.419 1.00 41.41 H new ATOM 0 HG21 VAL A 28 6.666 2.769 -0.392 1.00 61.43 H new ATOM 0 HG22 VAL A 28 5.967 3.868 0.821 1.00 61.43 H new ATOM 0 HG23 VAL A 28 7.707 3.495 0.856 1.00 61.43 H new ATOM 440 N LYS A 29 5.950 4.673 3.359 1.00 72.12 N ATOM 441 CA LYS A 29 5.070 5.784 3.667 1.00 53.41 C ATOM 442 C LYS A 29 4.096 6.040 2.528 1.00 12.24 C ATOM 443 O LYS A 29 4.462 5.966 1.348 1.00 14.22 O ATOM 444 CB LYS A 29 5.872 7.046 3.978 1.00 62.23 C ATOM 445 CG LYS A 29 6.719 6.917 5.231 1.00 11.04 C ATOM 446 CD LYS A 29 7.340 8.242 5.634 1.00 35.21 C ATOM 447 CE LYS A 29 8.141 8.110 6.920 1.00 52.31 C ATOM 448 NZ LYS A 29 7.323 7.561 8.036 1.00 22.13 N ATOM 0 H LYS A 29 6.918 4.933 3.171 1.00 72.12 H new ATOM 0 HA LYS A 29 4.495 5.516 4.554 1.00 53.41 H new ATOM 0 HB2 LYS A 29 6.519 7.277 3.131 1.00 62.23 H new ATOM 0 HB3 LYS A 29 5.187 7.886 4.094 1.00 62.23 H new ATOM 0 HG2 LYS A 29 6.103 6.541 6.048 1.00 11.04 H new ATOM 0 HG3 LYS A 29 7.507 6.183 5.062 1.00 11.04 H new ATOM 0 HD2 LYS A 29 7.989 8.600 4.834 1.00 35.21 H new ATOM 0 HD3 LYS A 29 6.556 8.988 5.766 1.00 35.21 H new ATOM 0 HE2 LYS A 29 8.999 7.461 6.747 1.00 52.31 H new ATOM 0 HE3 LYS A 29 8.532 9.087 7.205 1.00 52.31 H new ATOM 0 HZ1 LYS A 29 7.652 7.962 8.937 1.00 22.13 H new ATOM 0 HZ2 LYS A 29 6.324 7.811 7.890 1.00 22.13 H new ATOM 0 HZ3 LYS A 29 7.420 6.526 8.061 1.00 22.13 H new ATOM 462 N PHE A 30 2.856 6.332 2.895 1.00 2.23 N ATOM 463 CA PHE A 30 1.806 6.621 1.932 1.00 61.31 C ATOM 464 C PHE A 30 2.234 7.733 0.982 1.00 75.21 C ATOM 465 O PHE A 30 1.956 7.677 -0.211 1.00 72.12 O ATOM 466 CB PHE A 30 0.527 7.018 2.671 1.00 13.44 C ATOM 467 CG PHE A 30 -0.622 7.353 1.767 1.00 25.12 C ATOM 468 CD1 PHE A 30 -1.310 6.352 1.113 1.00 61.14 C ATOM 469 CD2 PHE A 30 -1.016 8.667 1.579 1.00 13.12 C ATOM 470 CE1 PHE A 30 -2.375 6.649 0.285 1.00 63.41 C ATOM 471 CE2 PHE A 30 -2.078 8.974 0.752 1.00 51.24 C ATOM 472 CZ PHE A 30 -2.759 7.963 0.103 1.00 61.31 C ATOM 0 H PHE A 30 2.551 6.375 3.867 1.00 2.23 H new ATOM 0 HA PHE A 30 1.617 5.725 1.340 1.00 61.31 H new ATOM 0 HB2 PHE A 30 0.232 6.201 3.329 1.00 13.44 H new ATOM 0 HB3 PHE A 30 0.739 7.878 3.306 1.00 13.44 H new ATOM 0 HD1 PHE A 30 -1.012 5.323 1.250 1.00 61.14 H new ATOM 0 HD2 PHE A 30 -0.487 9.461 2.085 1.00 13.12 H new ATOM 0 HE1 PHE A 30 -2.906 5.855 -0.219 1.00 63.41 H new ATOM 0 HE2 PHE A 30 -2.376 10.003 0.613 1.00 51.24 H new ATOM 0 HZ PHE A 30 -3.590 8.199 -0.545 1.00 61.31 H new ATOM 482 N GLY A 31 2.931 8.725 1.520 1.00 55.44 N ATOM 483 CA GLY A 31 3.393 9.842 0.717 1.00 3.52 C ATOM 484 C GLY A 31 4.345 9.423 -0.384 1.00 23.22 C ATOM 485 O GLY A 31 4.442 10.092 -1.410 1.00 24.52 O ATOM 0 H GLY A 31 3.187 8.776 2.506 1.00 55.44 H new ATOM 0 HA2 GLY A 31 2.533 10.345 0.275 1.00 3.52 H new ATOM 0 HA3 GLY A 31 3.889 10.567 1.363 1.00 3.52 H new ATOM 489 N VAL A 32 5.048 8.318 -0.178 1.00 64.11 N ATOM 490 CA VAL A 32 5.992 7.825 -1.169 1.00 71.53 C ATOM 491 C VAL A 32 5.232 7.159 -2.306 1.00 73.10 C ATOM 492 O VAL A 32 5.465 7.446 -3.482 1.00 43.25 O ATOM 493 CB VAL A 32 7.000 6.827 -0.552 1.00 4.54 C ATOM 494 CG1 VAL A 32 8.010 6.361 -1.591 1.00 34.32 C ATOM 495 CG2 VAL A 32 7.711 7.452 0.638 1.00 74.31 C ATOM 0 H VAL A 32 4.982 7.747 0.665 1.00 64.11 H new ATOM 0 HA VAL A 32 6.559 8.675 -1.549 1.00 71.53 H new ATOM 0 HB VAL A 32 6.443 5.956 -0.205 1.00 4.54 H new ATOM 0 HG11 VAL A 32 8.707 5.660 -1.132 1.00 34.32 H new ATOM 0 HG12 VAL A 32 7.487 5.868 -2.411 1.00 34.32 H new ATOM 0 HG13 VAL A 32 8.560 7.220 -1.975 1.00 34.32 H new ATOM 0 HG21 VAL A 32 8.416 6.735 1.058 1.00 74.31 H new ATOM 0 HG22 VAL A 32 8.249 8.342 0.314 1.00 74.31 H new ATOM 0 HG23 VAL A 32 6.978 7.727 1.396 1.00 74.31 H new ATOM 505 N LEU A 33 4.303 6.286 -1.940 1.00 64.44 N ATOM 506 CA LEU A 33 3.462 5.606 -2.918 1.00 60.33 C ATOM 507 C LEU A 33 2.575 6.598 -3.663 1.00 32.44 C ATOM 508 O LEU A 33 2.479 6.558 -4.886 1.00 43.33 O ATOM 509 CB LEU A 33 2.592 4.556 -2.227 1.00 54.42 C ATOM 510 CG LEU A 33 3.337 3.327 -1.712 1.00 34.30 C ATOM 511 CD1 LEU A 33 2.371 2.366 -1.040 1.00 13.20 C ATOM 512 CD2 LEU A 33 4.071 2.638 -2.853 1.00 22.41 C ATOM 0 H LEU A 33 4.112 6.031 -0.971 1.00 64.44 H new ATOM 0 HA LEU A 33 4.115 5.116 -3.640 1.00 60.33 H new ATOM 0 HB2 LEU A 33 2.080 5.028 -1.388 1.00 54.42 H new ATOM 0 HB3 LEU A 33 1.823 4.228 -2.927 1.00 54.42 H new ATOM 0 HG LEU A 33 4.072 3.648 -0.973 1.00 34.30 H new ATOM 0 HD11 LEU A 33 2.917 1.495 -0.678 1.00 13.20 H new ATOM 0 HD12 LEU A 33 1.886 2.865 -0.201 1.00 13.20 H new ATOM 0 HD13 LEU A 33 1.615 2.048 -1.758 1.00 13.20 H new ATOM 0 HD21 LEU A 33 4.598 1.763 -2.471 1.00 22.41 H new ATOM 0 HD22 LEU A 33 3.353 2.327 -3.612 1.00 22.41 H new ATOM 0 HD23 LEU A 33 4.789 3.330 -3.294 1.00 22.41 H new ATOM 524 N PHE A 34 1.953 7.498 -2.912 1.00 53.43 N ATOM 525 CA PHE A 34 1.048 8.495 -3.473 1.00 72.00 C ATOM 526 C PHE A 34 1.795 9.407 -4.444 1.00 5.45 C ATOM 527 O PHE A 34 1.239 9.873 -5.439 1.00 12.22 O ATOM 528 CB PHE A 34 0.432 9.311 -2.334 1.00 41.44 C ATOM 529 CG PHE A 34 -0.806 10.074 -2.705 1.00 11.24 C ATOM 530 CD1 PHE A 34 -1.929 9.411 -3.169 1.00 13.24 C ATOM 531 CD2 PHE A 34 -0.854 11.450 -2.566 1.00 4.43 C ATOM 532 CE1 PHE A 34 -3.078 10.106 -3.489 1.00 52.12 C ATOM 533 CE2 PHE A 34 -1.999 12.151 -2.887 1.00 33.01 C ATOM 534 CZ PHE A 34 -3.112 11.479 -3.348 1.00 54.45 C ATOM 0 H PHE A 34 2.061 7.558 -1.899 1.00 53.43 H new ATOM 0 HA PHE A 34 0.254 7.993 -4.026 1.00 72.00 H new ATOM 0 HB2 PHE A 34 0.194 8.637 -1.511 1.00 41.44 H new ATOM 0 HB3 PHE A 34 1.178 10.014 -1.965 1.00 41.44 H new ATOM 0 HD1 PHE A 34 -1.906 8.337 -3.282 1.00 13.24 H new ATOM 0 HD2 PHE A 34 0.013 11.981 -2.203 1.00 4.43 H new ATOM 0 HE1 PHE A 34 -3.948 9.577 -3.849 1.00 52.12 H new ATOM 0 HE2 PHE A 34 -2.023 13.225 -2.777 1.00 33.01 H new ATOM 0 HZ PHE A 34 -4.009 12.026 -3.598 1.00 54.45 H new ATOM 544 N ARG A 35 3.064 9.644 -4.145 1.00 22.41 N ATOM 545 CA ARG A 35 3.931 10.445 -4.999 1.00 11.52 C ATOM 546 C ARG A 35 4.159 9.760 -6.341 1.00 41.15 C ATOM 547 O ARG A 35 3.924 10.351 -7.396 1.00 0.43 O ATOM 548 CB ARG A 35 5.267 10.663 -4.289 1.00 54.35 C ATOM 549 CG ARG A 35 6.383 11.209 -5.165 1.00 42.03 C ATOM 550 CD ARG A 35 6.193 12.677 -5.495 1.00 13.10 C ATOM 551 NE ARG A 35 7.468 13.310 -5.819 1.00 12.42 N ATOM 552 CZ ARG A 35 7.764 13.865 -6.992 1.00 65.43 C ATOM 553 NH1 ARG A 35 6.870 13.896 -7.973 1.00 61.15 N ATOM 554 NH2 ARG A 35 8.963 14.393 -7.179 1.00 12.33 N ATOM 0 H ARG A 35 3.521 9.288 -3.306 1.00 22.41 H new ATOM 0 HA ARG A 35 3.451 11.405 -5.189 1.00 11.52 H new ATOM 0 HB2 ARG A 35 5.111 11.350 -3.457 1.00 54.35 H new ATOM 0 HB3 ARG A 35 5.593 9.714 -3.862 1.00 54.35 H new ATOM 0 HG2 ARG A 35 7.338 11.074 -4.658 1.00 42.03 H new ATOM 0 HG3 ARG A 35 6.429 10.634 -6.090 1.00 42.03 H new ATOM 0 HD2 ARG A 35 5.508 12.778 -6.337 1.00 13.10 H new ATOM 0 HD3 ARG A 35 5.734 13.187 -4.648 1.00 13.10 H new ATOM 0 HE ARG A 35 8.184 13.328 -5.093 1.00 12.42 H new ATOM 0 HH11 ARG A 35 5.944 13.492 -7.832 1.00 61.15 H new ATOM 0 HH12 ARG A 35 7.109 14.324 -8.867 1.00 61.15 H new ATOM 0 HH21 ARG A 35 9.652 14.373 -6.427 1.00 12.33 H new ATOM 0 HH22 ARG A 35 9.198 14.820 -8.075 1.00 12.33 H new ATOM 568 N ASP A 36 4.592 8.507 -6.299 1.00 61.41 N ATOM 569 CA ASP A 36 4.907 7.776 -7.520 1.00 74.14 C ATOM 570 C ASP A 36 3.635 7.456 -8.293 1.00 33.44 C ATOM 571 O ASP A 36 3.620 7.495 -9.521 1.00 2.31 O ATOM 572 CB ASP A 36 5.680 6.491 -7.211 1.00 62.13 C ATOM 573 CG ASP A 36 6.143 5.785 -8.472 1.00 34.51 C ATOM 574 OD1 ASP A 36 7.043 6.317 -9.159 1.00 35.32 O ATOM 575 OD2 ASP A 36 5.617 4.697 -8.778 1.00 12.44 O ATOM 0 H ASP A 36 4.733 7.978 -5.438 1.00 61.41 H new ATOM 0 HA ASP A 36 5.542 8.412 -8.137 1.00 74.14 H new ATOM 0 HB2 ASP A 36 6.545 6.729 -6.591 1.00 62.13 H new ATOM 0 HB3 ASP A 36 5.048 5.819 -6.631 1.00 62.13 H new ATOM 580 N ASP A 37 2.559 7.169 -7.569 1.00 13.15 N ATOM 581 CA ASP A 37 1.272 6.892 -8.194 1.00 74.13 C ATOM 582 C ASP A 37 0.766 8.099 -8.979 1.00 21.31 C ATOM 583 O ASP A 37 0.238 7.955 -10.075 1.00 40.54 O ATOM 584 CB ASP A 37 0.231 6.475 -7.158 1.00 22.43 C ATOM 585 CG ASP A 37 -1.110 6.192 -7.800 1.00 43.04 C ATOM 586 OD1 ASP A 37 -1.147 5.396 -8.764 1.00 31.00 O ATOM 587 OD2 ASP A 37 -2.122 6.775 -7.359 1.00 61.35 O ATOM 0 H ASP A 37 2.553 7.122 -6.550 1.00 13.15 H new ATOM 0 HA ASP A 37 1.424 6.065 -8.887 1.00 74.13 H new ATOM 0 HB2 ASP A 37 0.577 5.586 -6.630 1.00 22.43 H new ATOM 0 HB3 ASP A 37 0.120 7.264 -6.414 1.00 22.43 H new ATOM 592 N LYS A 38 0.951 9.294 -8.438 1.00 64.03 N ATOM 593 CA LYS A 38 0.535 10.500 -9.143 1.00 61.24 C ATOM 594 C LYS A 38 1.429 10.762 -10.354 1.00 14.33 C ATOM 595 O LYS A 38 1.064 11.507 -11.263 1.00 1.22 O ATOM 596 CB LYS A 38 0.524 11.712 -8.208 1.00 63.51 C ATOM 597 CG LYS A 38 -0.759 11.835 -7.403 1.00 71.41 C ATOM 598 CD LYS A 38 -0.864 13.182 -6.706 1.00 5.02 C ATOM 599 CE LYS A 38 -2.244 13.378 -6.103 1.00 21.23 C ATOM 600 NZ LYS A 38 -2.402 14.717 -5.473 1.00 73.23 N ATOM 0 H LYS A 38 1.380 9.455 -7.527 1.00 64.03 H new ATOM 0 HA LYS A 38 -0.483 10.340 -9.499 1.00 61.24 H new ATOM 0 HB2 LYS A 38 1.370 11.643 -7.524 1.00 63.51 H new ATOM 0 HB3 LYS A 38 0.664 12.618 -8.797 1.00 63.51 H new ATOM 0 HG2 LYS A 38 -1.616 11.700 -8.063 1.00 71.41 H new ATOM 0 HG3 LYS A 38 -0.800 11.038 -6.661 1.00 71.41 H new ATOM 0 HD2 LYS A 38 -0.108 13.250 -5.923 1.00 5.02 H new ATOM 0 HD3 LYS A 38 -0.658 13.981 -7.418 1.00 5.02 H new ATOM 0 HE2 LYS A 38 -2.998 13.254 -6.880 1.00 21.23 H new ATOM 0 HE3 LYS A 38 -2.425 12.604 -5.357 1.00 21.23 H new ATOM 0 HZ1 LYS A 38 -3.359 14.803 -5.076 1.00 73.23 H new ATOM 0 HZ2 LYS A 38 -1.701 14.828 -4.713 1.00 73.23 H new ATOM 0 HZ3 LYS A 38 -2.256 15.457 -6.189 1.00 73.23 H new ATOM 614 N SER A 39 2.599 10.146 -10.359 1.00 12.44 N ATOM 615 CA SER A 39 3.528 10.290 -11.464 1.00 53.40 C ATOM 616 C SER A 39 3.266 9.235 -12.550 1.00 53.01 C ATOM 617 O SER A 39 3.167 9.563 -13.732 1.00 41.14 O ATOM 618 CB SER A 39 4.967 10.185 -10.946 1.00 61.22 C ATOM 619 OG SER A 39 5.912 10.434 -11.973 1.00 50.11 O ATOM 0 H SER A 39 2.928 9.540 -9.607 1.00 12.44 H new ATOM 0 HA SER A 39 3.381 11.271 -11.915 1.00 53.40 H new ATOM 0 HB2 SER A 39 5.115 10.898 -10.135 1.00 61.22 H new ATOM 0 HB3 SER A 39 5.133 9.191 -10.531 1.00 61.22 H new ATOM 0 HG SER A 39 6.819 10.360 -11.608 1.00 50.11 H new ATOM 625 N ALA A 40 3.124 7.977 -12.141 1.00 45.44 N ATOM 626 CA ALA A 40 3.015 6.868 -13.088 1.00 74.40 C ATOM 627 C ALA A 40 1.568 6.433 -13.316 1.00 11.34 C ATOM 628 O ALA A 40 1.256 5.841 -14.349 1.00 50.11 O ATOM 629 CB ALA A 40 3.840 5.689 -12.599 1.00 75.03 C ATOM 0 H ALA A 40 3.082 7.699 -11.161 1.00 45.44 H new ATOM 0 HA ALA A 40 3.400 7.221 -14.045 1.00 74.40 H new ATOM 0 HB1 ALA A 40 3.755 4.866 -13.309 1.00 75.03 H new ATOM 0 HB2 ALA A 40 4.885 5.987 -12.513 1.00 75.03 H new ATOM 0 HB3 ALA A 40 3.473 5.367 -11.624 1.00 75.03 H new ATOM 635 N ASN A 41 0.699 6.725 -12.353 1.00 64.41 N ATOM 636 CA ASN A 41 -0.703 6.295 -12.398 1.00 74.35 C ATOM 637 C ASN A 41 -0.797 4.776 -12.392 1.00 43.53 C ATOM 638 O ASN A 41 -1.381 4.167 -13.290 1.00 52.50 O ATOM 639 CB ASN A 41 -1.433 6.872 -13.617 1.00 74.41 C ATOM 640 CG ASN A 41 -2.022 8.250 -13.362 1.00 72.20 C ATOM 641 OD1 ASN A 41 -1.440 8.993 -12.428 1.00 42.25 O flip ATOM 642 ND2 ASN A 41 -3.010 8.636 -13.989 1.00 73.40 N flip ATOM 0 H ASN A 41 0.941 7.264 -11.521 1.00 64.41 H new ATOM 0 HA ASN A 41 -1.194 6.681 -11.505 1.00 74.35 H new ATOM 0 HB2 ASN A 41 -0.739 6.930 -14.455 1.00 74.41 H new ATOM 0 HB3 ASN A 41 -2.232 6.191 -13.911 1.00 74.41 H new ATOM 0 HD21 ASN A 41 -3.429 8.036 -14.700 1.00 73.40 H new ATOM 0 HD22 ASN A 41 -3.408 9.555 -13.798 1.00 73.40 H new ATOM 649 N LEU A 42 -0.193 4.173 -11.378 1.00 1.15 N ATOM 650 CA LEU A 42 -0.184 2.726 -11.239 1.00 51.23 C ATOM 651 C LEU A 42 -1.488 2.247 -10.622 1.00 71.11 C ATOM 652 O LEU A 42 -2.054 1.236 -11.036 1.00 44.13 O ATOM 653 CB LEU A 42 0.994 2.277 -10.372 1.00 63.43 C ATOM 654 CG LEU A 42 2.376 2.704 -10.869 1.00 25.21 C ATOM 655 CD1 LEU A 42 3.452 2.230 -9.907 1.00 54.24 C ATOM 656 CD2 LEU A 42 2.636 2.163 -12.267 1.00 10.21 C ATOM 0 H LEU A 42 0.300 4.669 -10.635 1.00 1.15 H new ATOM 0 HA LEU A 42 -0.077 2.288 -12.232 1.00 51.23 H new ATOM 0 HB2 LEU A 42 0.852 2.669 -9.365 1.00 63.43 H new ATOM 0 HB3 LEU A 42 0.974 1.190 -10.297 1.00 63.43 H new ATOM 0 HG LEU A 42 2.404 3.793 -10.914 1.00 25.21 H new ATOM 0 HD11 LEU A 42 4.430 2.541 -10.273 1.00 54.24 H new ATOM 0 HD12 LEU A 42 3.278 2.665 -8.923 1.00 54.24 H new ATOM 0 HD13 LEU A 42 3.421 1.143 -9.833 1.00 54.24 H new ATOM 0 HD21 LEU A 42 3.624 2.479 -12.601 1.00 10.21 H new ATOM 0 HD22 LEU A 42 2.589 1.074 -12.250 1.00 10.21 H new ATOM 0 HD23 LEU A 42 1.881 2.548 -12.952 1.00 10.21 H new ATOM 668 N PHE A 43 -1.962 2.986 -9.631 1.00 54.23 N ATOM 669 CA PHE A 43 -3.170 2.627 -8.920 1.00 52.34 C ATOM 670 C PHE A 43 -4.245 3.662 -9.194 1.00 1.42 C ATOM 671 O PHE A 43 -4.245 4.737 -8.600 1.00 55.10 O ATOM 672 CB PHE A 43 -2.902 2.540 -7.417 1.00 45.21 C ATOM 673 CG PHE A 43 -1.696 1.717 -7.059 1.00 75.23 C ATOM 674 CD1 PHE A 43 -1.764 0.337 -7.040 1.00 75.12 C ATOM 675 CD2 PHE A 43 -0.498 2.332 -6.734 1.00 10.14 C ATOM 676 CE1 PHE A 43 -0.659 -0.420 -6.705 1.00 22.30 C ATOM 677 CE2 PHE A 43 0.612 1.582 -6.398 1.00 72.04 C ATOM 678 CZ PHE A 43 0.530 0.204 -6.383 1.00 4.11 C ATOM 0 H PHE A 43 -1.521 3.845 -9.302 1.00 54.23 H new ATOM 0 HA PHE A 43 -3.507 1.650 -9.268 1.00 52.34 H new ATOM 0 HB2 PHE A 43 -2.772 3.548 -7.022 1.00 45.21 H new ATOM 0 HB3 PHE A 43 -3.778 2.116 -6.926 1.00 45.21 H new ATOM 0 HD1 PHE A 43 -2.692 -0.155 -7.290 1.00 75.12 H new ATOM 0 HD2 PHE A 43 -0.431 3.410 -6.743 1.00 10.14 H new ATOM 0 HE1 PHE A 43 -0.724 -1.498 -6.695 1.00 22.30 H new ATOM 0 HE2 PHE A 43 1.541 2.072 -6.148 1.00 72.04 H new ATOM 0 HZ PHE A 43 1.396 -0.386 -6.120 1.00 4.11 H new ATOM 688 N GLU A 44 -5.148 3.347 -10.115 1.00 44.34 N ATOM 689 CA GLU A 44 -6.216 4.269 -10.487 1.00 45.13 C ATOM 690 C GLU A 44 -7.061 4.628 -9.268 1.00 15.22 C ATOM 691 O GLU A 44 -7.634 5.717 -9.190 1.00 20.20 O ATOM 692 CB GLU A 44 -7.078 3.658 -11.589 1.00 15.03 C ATOM 693 CG GLU A 44 -6.264 3.179 -12.777 1.00 63.04 C ATOM 694 CD GLU A 44 -7.124 2.725 -13.934 1.00 51.14 C ATOM 695 OE1 GLU A 44 -7.952 1.812 -13.742 1.00 1.11 O ATOM 696 OE2 GLU A 44 -6.982 3.293 -15.037 1.00 14.34 O ATOM 0 H GLU A 44 -5.163 2.460 -10.618 1.00 44.34 H new ATOM 0 HA GLU A 44 -5.771 5.187 -10.870 1.00 45.13 H new ATOM 0 HB2 GLU A 44 -7.642 2.820 -11.180 1.00 15.03 H new ATOM 0 HB3 GLU A 44 -7.805 4.397 -11.927 1.00 15.03 H new ATOM 0 HG2 GLU A 44 -5.610 3.984 -13.111 1.00 63.04 H new ATOM 0 HG3 GLU A 44 -5.622 2.356 -12.463 1.00 63.04 H new ATOM 703 N ALA A 45 -7.132 3.698 -8.325 1.00 13.24 N ATOM 704 CA ALA A 45 -7.732 3.958 -7.030 1.00 61.53 C ATOM 705 C ALA A 45 -6.862 3.356 -5.933 1.00 52.32 C ATOM 706 O ALA A 45 -7.110 2.238 -5.474 1.00 10.02 O ATOM 707 CB ALA A 45 -9.146 3.395 -6.968 1.00 45.33 C ATOM 0 H ALA A 45 -6.777 2.749 -8.438 1.00 13.24 H new ATOM 0 HA ALA A 45 -7.796 5.036 -6.879 1.00 61.53 H new ATOM 0 HB1 ALA A 45 -9.577 3.601 -5.988 1.00 45.33 H new ATOM 0 HB2 ALA A 45 -9.758 3.863 -7.739 1.00 45.33 H new ATOM 0 HB3 ALA A 45 -9.116 2.318 -7.132 1.00 45.33 H new ATOM 713 N LEU A 46 -5.833 4.096 -5.528 1.00 23.14 N ATOM 714 CA LEU A 46 -4.888 3.628 -4.517 1.00 0.42 C ATOM 715 C LEU A 46 -5.597 3.358 -3.198 1.00 23.34 C ATOM 716 O LEU A 46 -5.301 2.380 -2.510 1.00 70.33 O ATOM 717 CB LEU A 46 -3.771 4.661 -4.319 1.00 54.45 C ATOM 718 CG LEU A 46 -2.738 4.329 -3.236 1.00 45.31 C ATOM 719 CD1 LEU A 46 -2.032 3.017 -3.542 1.00 73.14 C ATOM 720 CD2 LEU A 46 -1.729 5.460 -3.110 1.00 61.53 C ATOM 0 H LEU A 46 -5.631 5.029 -5.887 1.00 23.14 H new ATOM 0 HA LEU A 46 -4.447 2.694 -4.865 1.00 0.42 H new ATOM 0 HB2 LEU A 46 -3.248 4.788 -5.267 1.00 54.45 H new ATOM 0 HB3 LEU A 46 -4.228 5.620 -4.076 1.00 54.45 H new ATOM 0 HG LEU A 46 -3.261 4.217 -2.286 1.00 45.31 H new ATOM 0 HD11 LEU A 46 -1.304 2.804 -2.759 1.00 73.14 H new ATOM 0 HD12 LEU A 46 -2.765 2.211 -3.585 1.00 73.14 H new ATOM 0 HD13 LEU A 46 -1.520 3.094 -4.501 1.00 73.14 H new ATOM 0 HD21 LEU A 46 -1.000 5.213 -2.338 1.00 61.53 H new ATOM 0 HD22 LEU A 46 -1.216 5.598 -4.062 1.00 61.53 H new ATOM 0 HD23 LEU A 46 -2.246 6.381 -2.840 1.00 61.53 H new ATOM 732 N VAL A 47 -6.547 4.222 -2.861 1.00 25.45 N ATOM 733 CA VAL A 47 -7.320 4.070 -1.635 1.00 31.34 C ATOM 734 C VAL A 47 -8.041 2.725 -1.623 1.00 55.22 C ATOM 735 O VAL A 47 -8.048 2.025 -0.614 1.00 31.02 O ATOM 736 CB VAL A 47 -8.351 5.207 -1.477 1.00 21.33 C ATOM 737 CG1 VAL A 47 -9.109 5.074 -0.162 1.00 40.52 C ATOM 738 CG2 VAL A 47 -7.671 6.563 -1.567 1.00 15.23 C ATOM 0 H VAL A 47 -6.801 5.036 -3.421 1.00 25.45 H new ATOM 0 HA VAL A 47 -6.622 4.116 -0.799 1.00 31.34 H new ATOM 0 HB VAL A 47 -9.070 5.128 -2.293 1.00 21.33 H new ATOM 0 HG11 VAL A 47 -9.830 5.887 -0.074 1.00 40.52 H new ATOM 0 HG12 VAL A 47 -9.634 4.119 -0.140 1.00 40.52 H new ATOM 0 HG13 VAL A 47 -8.406 5.121 0.670 1.00 40.52 H new ATOM 0 HG21 VAL A 47 -8.415 7.351 -1.453 1.00 15.23 H new ATOM 0 HG22 VAL A 47 -6.926 6.650 -0.776 1.00 15.23 H new ATOM 0 HG23 VAL A 47 -7.183 6.662 -2.537 1.00 15.23 H new ATOM 748 N GLY A 48 -8.621 2.361 -2.763 1.00 61.31 N ATOM 749 CA GLY A 48 -9.334 1.100 -2.874 1.00 73.00 C ATOM 750 C GLY A 48 -8.414 -0.095 -2.718 1.00 0.11 C ATOM 751 O GLY A 48 -8.746 -1.054 -2.021 1.00 71.02 O ATOM 0 H GLY A 48 -8.610 2.920 -3.616 1.00 61.31 H new ATOM 0 HA2 GLY A 48 -10.114 1.058 -2.114 1.00 73.00 H new ATOM 0 HA3 GLY A 48 -9.831 1.050 -3.843 1.00 73.00 H new ATOM 755 N THR A 49 -7.259 -0.035 -3.369 1.00 54.44 N ATOM 756 CA THR A 49 -6.254 -1.081 -3.257 1.00 61.20 C ATOM 757 C THR A 49 -5.800 -1.242 -1.801 1.00 0.14 C ATOM 758 O THR A 49 -5.617 -2.362 -1.314 1.00 14.34 O ATOM 759 CB THR A 49 -5.041 -0.759 -4.152 1.00 61.43 C ATOM 760 OG1 THR A 49 -5.496 -0.347 -5.446 1.00 61.44 O ATOM 761 CG2 THR A 49 -4.133 -1.970 -4.304 1.00 41.24 C ATOM 0 H THR A 49 -6.995 0.734 -3.985 1.00 54.44 H new ATOM 0 HA THR A 49 -6.701 -2.018 -3.589 1.00 61.20 H new ATOM 0 HB THR A 49 -4.474 0.043 -3.679 1.00 61.43 H new ATOM 0 HG1 THR A 49 -4.724 -0.141 -6.014 1.00 61.44 H new ATOM 0 HG21 THR A 49 -3.286 -1.712 -4.940 1.00 41.24 H new ATOM 0 HG22 THR A 49 -3.770 -2.278 -3.323 1.00 41.24 H new ATOM 0 HG23 THR A 49 -4.692 -2.789 -4.757 1.00 41.24 H new ATOM 769 N LEU A 50 -5.639 -0.116 -1.109 1.00 25.34 N ATOM 770 CA LEU A 50 -5.263 -0.127 0.302 1.00 12.30 C ATOM 771 C LEU A 50 -6.359 -0.759 1.150 1.00 54.12 C ATOM 772 O LEU A 50 -6.079 -1.599 2.006 1.00 41.13 O ATOM 773 CB LEU A 50 -4.976 1.292 0.797 1.00 64.32 C ATOM 774 CG LEU A 50 -3.751 1.967 0.176 1.00 1.23 C ATOM 775 CD1 LEU A 50 -3.613 3.389 0.692 1.00 24.12 C ATOM 776 CD2 LEU A 50 -2.493 1.165 0.478 1.00 23.30 C ATOM 0 H LEU A 50 -5.763 0.816 -1.504 1.00 25.34 H new ATOM 0 HA LEU A 50 -4.356 -0.724 0.401 1.00 12.30 H new ATOM 0 HB2 LEU A 50 -5.851 1.912 0.599 1.00 64.32 H new ATOM 0 HB3 LEU A 50 -4.844 1.262 1.879 1.00 64.32 H new ATOM 0 HG LEU A 50 -3.885 2.003 -0.905 1.00 1.23 H new ATOM 0 HD11 LEU A 50 -2.737 3.856 0.241 1.00 24.12 H new ATOM 0 HD12 LEU A 50 -4.504 3.959 0.430 1.00 24.12 H new ATOM 0 HD13 LEU A 50 -3.499 3.373 1.776 1.00 24.12 H new ATOM 0 HD21 LEU A 50 -1.631 1.658 0.029 1.00 23.30 H new ATOM 0 HD22 LEU A 50 -2.353 1.100 1.557 1.00 23.30 H new ATOM 0 HD23 LEU A 50 -2.593 0.162 0.064 1.00 23.30 H new ATOM 788 N LYS A 51 -7.606 -0.350 0.908 1.00 25.13 N ATOM 789 CA LYS A 51 -8.756 -0.924 1.604 1.00 73.45 C ATOM 790 C LYS A 51 -8.780 -2.436 1.424 1.00 2.11 C ATOM 791 O LYS A 51 -8.912 -3.182 2.392 1.00 60.24 O ATOM 792 CB LYS A 51 -10.064 -0.337 1.067 1.00 50.44 C ATOM 793 CG LYS A 51 -10.225 1.161 1.281 1.00 74.33 C ATOM 794 CD LYS A 51 -10.605 1.509 2.709 1.00 70.00 C ATOM 795 CE LYS A 51 -11.095 2.946 2.801 1.00 23.33 C ATOM 796 NZ LYS A 51 -11.467 3.330 4.187 1.00 43.50 N ATOM 0 H LYS A 51 -7.844 0.378 0.234 1.00 25.13 H new ATOM 0 HA LYS A 51 -8.663 -0.681 2.663 1.00 73.45 H new ATOM 0 HB2 LYS A 51 -10.129 -0.547 -0.001 1.00 50.44 H new ATOM 0 HB3 LYS A 51 -10.899 -0.850 1.544 1.00 50.44 H new ATOM 0 HG2 LYS A 51 -9.292 1.663 1.024 1.00 74.33 H new ATOM 0 HG3 LYS A 51 -10.989 1.541 0.603 1.00 74.33 H new ATOM 0 HD2 LYS A 51 -11.384 0.831 3.059 1.00 70.00 H new ATOM 0 HD3 LYS A 51 -9.744 1.371 3.363 1.00 70.00 H new ATOM 0 HE2 LYS A 51 -10.316 3.616 2.438 1.00 23.33 H new ATOM 0 HE3 LYS A 51 -11.957 3.075 2.147 1.00 23.33 H new ATOM 0 HZ1 LYS A 51 -12.381 3.825 4.176 1.00 43.50 H new ATOM 0 HZ2 LYS A 51 -11.543 2.476 4.775 1.00 43.50 H new ATOM 0 HZ3 LYS A 51 -10.738 3.958 4.581 1.00 43.50 H new ATOM 810 N ALA A 52 -8.632 -2.871 0.175 1.00 22.51 N ATOM 811 CA ALA A 52 -8.653 -4.286 -0.167 1.00 75.54 C ATOM 812 C ALA A 52 -7.621 -5.060 0.636 1.00 42.34 C ATOM 813 O ALA A 52 -7.942 -6.039 1.305 1.00 34.34 O ATOM 814 CB ALA A 52 -8.389 -4.471 -1.653 1.00 14.42 C ATOM 0 H ALA A 52 -8.495 -2.253 -0.624 1.00 22.51 H new ATOM 0 HA ALA A 52 -9.642 -4.675 0.077 1.00 75.54 H new ATOM 0 HB1 ALA A 52 -8.407 -5.533 -1.896 1.00 14.42 H new ATOM 0 HB2 ALA A 52 -9.159 -3.954 -2.226 1.00 14.42 H new ATOM 0 HB3 ALA A 52 -7.412 -4.058 -1.903 1.00 14.42 H new ATOM 820 N ALA A 53 -6.384 -4.595 0.579 1.00 73.01 N ATOM 821 CA ALA A 53 -5.282 -5.280 1.229 1.00 33.42 C ATOM 822 C ALA A 53 -5.390 -5.203 2.746 1.00 72.54 C ATOM 823 O ALA A 53 -5.089 -6.170 3.431 1.00 50.50 O ATOM 824 CB ALA A 53 -3.954 -4.710 0.757 1.00 71.34 C ATOM 0 H ALA A 53 -6.118 -3.742 0.087 1.00 73.01 H new ATOM 0 HA ALA A 53 -5.333 -6.332 0.950 1.00 33.42 H new ATOM 0 HB1 ALA A 53 -3.137 -5.233 1.253 1.00 71.34 H new ATOM 0 HB2 ALA A 53 -3.866 -4.839 -0.322 1.00 71.34 H new ATOM 0 HB3 ALA A 53 -3.906 -3.649 1.001 1.00 71.34 H new ATOM 830 N LYS A 54 -5.826 -4.067 3.273 1.00 3.21 N ATOM 831 CA LYS A 54 -5.955 -3.911 4.716 1.00 43.04 C ATOM 832 C LYS A 54 -7.016 -4.857 5.261 1.00 71.41 C ATOM 833 O LYS A 54 -6.797 -5.546 6.255 1.00 13.21 O ATOM 834 CB LYS A 54 -6.312 -2.473 5.087 1.00 2.43 C ATOM 835 CG LYS A 54 -6.393 -2.247 6.587 1.00 23.03 C ATOM 836 CD LYS A 54 -6.925 -0.867 6.922 1.00 51.43 C ATOM 837 CE LYS A 54 -7.076 -0.691 8.425 1.00 11.11 C ATOM 838 NZ LYS A 54 -7.765 0.576 8.778 1.00 34.44 N ATOM 0 H LYS A 54 -6.094 -3.247 2.729 1.00 3.21 H new ATOM 0 HA LYS A 54 -4.991 -4.155 5.162 1.00 43.04 H new ATOM 0 HB2 LYS A 54 -5.567 -1.799 4.664 1.00 2.43 H new ATOM 0 HB3 LYS A 54 -7.269 -2.214 4.634 1.00 2.43 H new ATOM 0 HG2 LYS A 54 -7.038 -3.003 7.034 1.00 23.03 H new ATOM 0 HG3 LYS A 54 -5.404 -2.372 7.027 1.00 23.03 H new ATOM 0 HD2 LYS A 54 -6.249 -0.108 6.529 1.00 51.43 H new ATOM 0 HD3 LYS A 54 -7.889 -0.717 6.436 1.00 51.43 H new ATOM 0 HE2 LYS A 54 -7.636 -1.532 8.833 1.00 11.11 H new ATOM 0 HE3 LYS A 54 -6.091 -0.708 8.891 1.00 11.11 H new ATOM 0 HZ1 LYS A 54 -7.951 0.597 9.801 1.00 34.44 H new ATOM 0 HZ2 LYS A 54 -7.162 1.383 8.519 1.00 34.44 H new ATOM 0 HZ3 LYS A 54 -8.666 0.637 8.262 1.00 34.44 H new ATOM 852 N ARG A 55 -8.160 -4.903 4.589 1.00 41.04 N ATOM 853 CA ARG A 55 -9.264 -5.755 5.015 1.00 70.33 C ATOM 854 C ARG A 55 -8.925 -7.225 4.786 1.00 60.34 C ATOM 855 O ARG A 55 -9.441 -8.110 5.472 1.00 4.44 O ATOM 856 CB ARG A 55 -10.549 -5.387 4.266 1.00 13.10 C ATOM 857 CG ARG A 55 -10.971 -3.936 4.447 1.00 12.50 C ATOM 858 CD ARG A 55 -11.317 -3.617 5.893 1.00 20.35 C ATOM 859 NE ARG A 55 -11.722 -2.219 6.064 1.00 32.13 N ATOM 860 CZ ARG A 55 -12.994 -1.820 6.139 1.00 24.12 C ATOM 861 NH1 ARG A 55 -13.980 -2.700 6.026 1.00 23.44 N ATOM 862 NH2 ARG A 55 -13.283 -0.539 6.311 1.00 63.13 N ATOM 0 H ARG A 55 -8.348 -4.360 3.746 1.00 41.04 H new ATOM 0 HA ARG A 55 -9.425 -5.596 6.081 1.00 70.33 H new ATOM 0 HB2 ARG A 55 -10.409 -5.585 3.203 1.00 13.10 H new ATOM 0 HB3 ARG A 55 -11.356 -6.036 4.607 1.00 13.10 H new ATOM 0 HG2 ARG A 55 -10.166 -3.281 4.114 1.00 12.50 H new ATOM 0 HG3 ARG A 55 -11.834 -3.728 3.814 1.00 12.50 H new ATOM 0 HD2 ARG A 55 -12.123 -4.271 6.226 1.00 20.35 H new ATOM 0 HD3 ARG A 55 -10.455 -3.825 6.527 1.00 20.35 H new ATOM 0 HE ARG A 55 -10.991 -1.511 6.129 1.00 32.13 H new ATOM 0 HH11 ARG A 55 -13.768 -3.687 5.881 1.00 23.44 H new ATOM 0 HH12 ARG A 55 -14.950 -2.389 6.084 1.00 23.44 H new ATOM 0 HH21 ARG A 55 -12.532 0.147 6.387 1.00 63.13 H new ATOM 0 HH22 ARG A 55 -14.256 -0.239 6.368 1.00 63.13 H new ATOM 876 N ARG A 56 -8.045 -7.476 3.824 1.00 2.40 N ATOM 877 CA ARG A 56 -7.591 -8.815 3.525 1.00 65.34 C ATOM 878 C ARG A 56 -6.427 -9.197 4.441 1.00 54.12 C ATOM 879 O ARG A 56 -5.869 -10.289 4.334 1.00 12.53 O ATOM 880 CB ARG A 56 -7.158 -8.885 2.064 1.00 13.45 C ATOM 881 CG ARG A 56 -7.127 -10.290 1.514 1.00 30.24 C ATOM 882 CD ARG A 56 -6.664 -10.310 0.069 1.00 52.12 C ATOM 883 NE ARG A 56 -6.775 -11.640 -0.526 1.00 62.22 N ATOM 884 CZ ARG A 56 -7.079 -11.868 -1.805 1.00 62.41 C ATOM 885 NH1 ARG A 56 -7.329 -10.858 -2.632 1.00 63.55 N ATOM 886 NH2 ARG A 56 -7.136 -13.112 -2.253 1.00 61.33 N ATOM 0 H ARG A 56 -7.631 -6.754 3.234 1.00 2.40 H new ATOM 0 HA ARG A 56 -8.406 -9.519 3.695 1.00 65.34 H new ATOM 0 HB2 ARG A 56 -7.838 -8.282 1.462 1.00 13.45 H new ATOM 0 HB3 ARG A 56 -6.167 -8.442 1.965 1.00 13.45 H new ATOM 0 HG2 ARG A 56 -6.461 -10.905 2.119 1.00 30.24 H new ATOM 0 HG3 ARG A 56 -8.121 -10.732 1.585 1.00 30.24 H new ATOM 0 HD2 ARG A 56 -7.257 -9.603 -0.511 1.00 52.12 H new ATOM 0 HD3 ARG A 56 -5.628 -9.975 0.016 1.00 52.12 H new ATOM 0 HE ARG A 56 -6.609 -12.447 0.076 1.00 62.22 H new ATOM 0 HH11 ARG A 56 -7.289 -9.898 -2.291 1.00 63.55 H new ATOM 0 HH12 ARG A 56 -7.560 -11.043 -3.608 1.00 63.55 H new ATOM 0 HH21 ARG A 56 -6.948 -13.891 -1.621 1.00 61.33 H new ATOM 0 HH22 ARG A 56 -7.368 -13.292 -3.230 1.00 61.33 H new ATOM 900 N LYS A 57 -6.066 -8.271 5.334 1.00 31.33 N ATOM 901 CA LYS A 57 -4.976 -8.469 6.292 1.00 72.24 C ATOM 902 C LYS A 57 -3.636 -8.647 5.585 1.00 74.34 C ATOM 903 O LYS A 57 -2.712 -9.257 6.119 1.00 51.34 O ATOM 904 CB LYS A 57 -5.272 -9.659 7.207 1.00 34.54 C ATOM 905 CG LYS A 57 -6.528 -9.473 8.045 1.00 60.25 C ATOM 906 CD LYS A 57 -6.413 -8.259 8.954 1.00 54.11 C ATOM 907 CE LYS A 57 -7.688 -8.042 9.753 1.00 40.05 C ATOM 908 NZ LYS A 57 -7.564 -6.913 10.711 1.00 64.13 N ATOM 0 H LYS A 57 -6.522 -7.362 5.413 1.00 31.33 H new ATOM 0 HA LYS A 57 -4.906 -7.571 6.906 1.00 72.24 H new ATOM 0 HB2 LYS A 57 -5.378 -10.558 6.600 1.00 34.54 H new ATOM 0 HB3 LYS A 57 -4.422 -9.820 7.870 1.00 34.54 H new ATOM 0 HG2 LYS A 57 -7.391 -9.358 7.389 1.00 60.25 H new ATOM 0 HG3 LYS A 57 -6.701 -10.365 8.647 1.00 60.25 H new ATOM 0 HD2 LYS A 57 -5.573 -8.391 9.636 1.00 54.11 H new ATOM 0 HD3 LYS A 57 -6.202 -7.373 8.355 1.00 54.11 H new ATOM 0 HE2 LYS A 57 -8.514 -7.847 9.070 1.00 40.05 H new ATOM 0 HE3 LYS A 57 -7.933 -8.954 10.298 1.00 40.05 H new ATOM 0 HZ1 LYS A 57 -8.456 -6.802 11.234 1.00 64.13 H new ATOM 0 HZ2 LYS A 57 -6.793 -7.109 11.381 1.00 64.13 H new ATOM 0 HZ3 LYS A 57 -7.356 -6.037 10.190 1.00 64.13 H new ATOM 922 N ILE A 58 -3.539 -8.101 4.385 1.00 44.52 N ATOM 923 CA ILE A 58 -2.293 -8.091 3.638 1.00 43.12 C ATOM 924 C ILE A 58 -1.394 -6.998 4.189 1.00 22.34 C ATOM 925 O ILE A 58 -0.199 -7.197 4.396 1.00 4.43 O ATOM 926 CB ILE A 58 -2.528 -7.821 2.135 1.00 71.11 C ATOM 927 CG1 ILE A 58 -3.589 -8.764 1.566 1.00 22.42 C ATOM 928 CG2 ILE A 58 -1.226 -7.952 1.359 1.00 72.52 C ATOM 929 CD1 ILE A 58 -3.223 -10.227 1.657 1.00 2.15 C ATOM 0 H ILE A 58 -4.318 -7.654 3.903 1.00 44.52 H new ATOM 0 HA ILE A 58 -1.831 -9.073 3.744 1.00 43.12 H new ATOM 0 HB ILE A 58 -2.894 -6.800 2.029 1.00 71.11 H new ATOM 0 HG12 ILE A 58 -4.527 -8.601 2.096 1.00 22.42 H new ATOM 0 HG13 ILE A 58 -3.765 -8.508 0.521 1.00 22.42 H new ATOM 0 HG21 ILE A 58 -1.411 -7.758 0.302 1.00 72.52 H new ATOM 0 HG22 ILE A 58 -0.502 -7.231 1.739 1.00 72.52 H new ATOM 0 HG23 ILE A 58 -0.831 -8.961 1.479 1.00 72.52 H new ATOM 0 HD11 ILE A 58 -4.026 -10.830 1.233 1.00 2.15 H new ATOM 0 HD12 ILE A 58 -2.302 -10.407 1.102 1.00 2.15 H new ATOM 0 HD13 ILE A 58 -3.076 -10.501 2.702 1.00 2.15 H new ATOM 941 N VAL A 59 -1.995 -5.843 4.433 1.00 72.32 N ATOM 942 CA VAL A 59 -1.280 -4.692 4.962 1.00 21.42 C ATOM 943 C VAL A 59 -2.052 -4.077 6.120 1.00 35.13 C ATOM 944 O VAL A 59 -3.198 -4.445 6.377 1.00 52.52 O ATOM 945 CB VAL A 59 -1.053 -3.602 3.887 1.00 14.13 C ATOM 946 CG1 VAL A 59 -0.255 -4.145 2.714 1.00 14.55 C ATOM 947 CG2 VAL A 59 -2.378 -3.025 3.413 1.00 35.11 C ATOM 0 H VAL A 59 -2.988 -5.678 4.271 1.00 72.32 H new ATOM 0 HA VAL A 59 -0.309 -5.053 5.301 1.00 21.42 H new ATOM 0 HB VAL A 59 -0.474 -2.800 4.345 1.00 14.13 H new ATOM 0 HG11 VAL A 59 -0.112 -3.356 1.975 1.00 14.55 H new ATOM 0 HG12 VAL A 59 0.716 -4.494 3.065 1.00 14.55 H new ATOM 0 HG13 VAL A 59 -0.796 -4.975 2.259 1.00 14.55 H new ATOM 0 HG21 VAL A 59 -2.193 -2.261 2.658 1.00 35.11 H new ATOM 0 HG22 VAL A 59 -2.988 -3.820 2.983 1.00 35.11 H new ATOM 0 HG23 VAL A 59 -2.904 -2.580 4.258 1.00 35.11 H new ATOM 957 N THR A 60 -1.419 -3.148 6.811 1.00 55.44 N ATOM 958 CA THR A 60 -2.062 -2.413 7.879 1.00 14.43 C ATOM 959 C THR A 60 -1.516 -0.993 7.921 1.00 4.10 C ATOM 960 O THR A 60 -0.376 -0.741 7.523 1.00 14.30 O ATOM 961 CB THR A 60 -1.843 -3.096 9.249 1.00 74.32 C ATOM 962 OG1 THR A 60 -2.685 -2.500 10.246 1.00 50.23 O ATOM 963 CG2 THR A 60 -0.386 -2.995 9.686 1.00 41.33 C ATOM 0 H THR A 60 -0.448 -2.884 6.647 1.00 55.44 H new ATOM 0 HA THR A 60 -3.133 -2.394 7.680 1.00 14.43 H new ATOM 0 HB THR A 60 -2.102 -4.149 9.140 1.00 74.32 H new ATOM 0 HG1 THR A 60 -2.537 -2.944 11.107 1.00 50.23 H new ATOM 0 HG21 THR A 60 -0.261 -3.484 10.652 1.00 41.33 H new ATOM 0 HG22 THR A 60 0.250 -3.483 8.948 1.00 41.33 H new ATOM 0 HG23 THR A 60 -0.103 -1.946 9.771 1.00 41.33 H new ATOM 971 N TYR A 61 -2.341 -0.067 8.374 1.00 33.53 N ATOM 972 CA TYR A 61 -1.934 1.316 8.510 1.00 41.31 C ATOM 973 C TYR A 61 -2.886 2.044 9.437 1.00 21.44 C ATOM 974 O TYR A 61 -4.083 1.760 9.441 1.00 32.44 O ATOM 975 CB TYR A 61 -1.859 2.017 7.142 1.00 23.11 C ATOM 976 CG TYR A 61 -3.132 1.974 6.309 1.00 12.53 C ATOM 977 CD1 TYR A 61 -3.555 0.795 5.701 1.00 72.10 C ATOM 978 CD2 TYR A 61 -3.901 3.119 6.112 1.00 2.24 C ATOM 979 CE1 TYR A 61 -4.701 0.758 4.931 1.00 41.10 C ATOM 980 CE2 TYR A 61 -5.050 3.086 5.344 1.00 22.21 C ATOM 981 CZ TYR A 61 -5.446 1.904 4.758 1.00 63.32 C ATOM 982 OH TYR A 61 -6.588 1.868 3.991 1.00 53.10 O ATOM 0 H TYR A 61 -3.304 -0.252 8.655 1.00 33.53 H new ATOM 0 HA TYR A 61 -0.933 1.338 8.941 1.00 41.31 H new ATOM 0 HB2 TYR A 61 -1.587 3.060 7.303 1.00 23.11 H new ATOM 0 HB3 TYR A 61 -1.053 1.563 6.565 1.00 23.11 H new ATOM 0 HD1 TYR A 61 -2.976 -0.107 5.834 1.00 72.10 H new ATOM 0 HD2 TYR A 61 -3.594 4.049 6.567 1.00 2.24 H new ATOM 0 HE1 TYR A 61 -5.012 -0.166 4.466 1.00 41.10 H new ATOM 0 HE2 TYR A 61 -5.635 3.983 5.204 1.00 22.21 H new ATOM 0 HH TYR A 61 -6.997 2.758 3.971 1.00 53.10 H new ATOM 992 N PRO A 62 -2.356 2.949 10.274 1.00 75.25 N ATOM 993 CA PRO A 62 -3.176 3.775 11.160 1.00 34.50 C ATOM 994 C PRO A 62 -4.261 4.518 10.390 1.00 31.30 C ATOM 995 O PRO A 62 -4.012 5.028 9.293 1.00 20.12 O ATOM 996 CB PRO A 62 -2.170 4.761 11.757 1.00 74.10 C ATOM 997 CG PRO A 62 -0.861 4.054 11.685 1.00 3.23 C ATOM 998 CD PRO A 62 -0.916 3.219 10.438 1.00 32.00 C ATOM 0 HA PRO A 62 -3.703 3.185 11.910 1.00 34.50 H new ATOM 0 HB2 PRO A 62 -2.148 5.694 11.194 1.00 74.10 H new ATOM 0 HB3 PRO A 62 -2.427 5.015 12.785 1.00 74.10 H new ATOM 0 HG2 PRO A 62 -0.035 4.764 11.644 1.00 3.23 H new ATOM 0 HG3 PRO A 62 -0.704 3.432 12.566 1.00 3.23 H new ATOM 0 HD2 PRO A 62 -0.506 3.751 9.579 1.00 32.00 H new ATOM 0 HD3 PRO A 62 -0.344 2.298 10.545 1.00 32.00 H new ATOM 1006 N GLY A 63 -5.451 4.589 10.970 1.00 13.24 N ATOM 1007 CA GLY A 63 -6.584 5.172 10.279 1.00 31.41 C ATOM 1008 C GLY A 63 -6.984 4.361 9.064 1.00 3.52 C ATOM 1009 O GLY A 63 -6.637 3.181 8.950 1.00 32.42 O ATOM 0 H GLY A 63 -5.653 4.252 11.911 1.00 13.24 H new ATOM 0 HA2 GLY A 63 -7.430 5.242 10.963 1.00 31.41 H new ATOM 0 HA3 GLY A 63 -6.338 6.188 9.972 1.00 31.41 H new ATOM 1013 N GLU A 64 -7.722 4.978 8.158 1.00 4.11 N ATOM 1014 CA GLU A 64 -8.113 4.315 6.924 1.00 35.00 C ATOM 1015 C GLU A 64 -8.619 5.333 5.901 1.00 73.30 C ATOM 1016 O GLU A 64 -9.139 4.964 4.847 1.00 31.02 O ATOM 1017 CB GLU A 64 -9.188 3.261 7.205 1.00 3.03 C ATOM 1018 CG GLU A 64 -9.239 2.155 6.164 1.00 31.34 C ATOM 1019 CD GLU A 64 -10.323 1.139 6.444 1.00 41.25 C ATOM 1020 OE1 GLU A 64 -10.057 0.165 7.177 1.00 65.42 O ATOM 1021 OE2 GLU A 64 -11.444 1.312 5.929 1.00 61.21 O ATOM 0 H GLU A 64 -8.062 5.935 8.252 1.00 4.11 H new ATOM 0 HA GLU A 64 -7.237 3.818 6.508 1.00 35.00 H new ATOM 0 HB2 GLU A 64 -9.005 2.819 8.184 1.00 3.03 H new ATOM 0 HB3 GLU A 64 -10.161 3.750 7.252 1.00 3.03 H new ATOM 0 HG2 GLU A 64 -9.404 2.595 5.181 1.00 31.34 H new ATOM 0 HG3 GLU A 64 -8.274 1.650 6.129 1.00 31.34 H new ATOM 1028 N LEU A 65 -8.464 6.615 6.218 1.00 3.15 N ATOM 1029 CA LEU A 65 -8.868 7.685 5.313 1.00 72.44 C ATOM 1030 C LEU A 65 -7.814 8.781 5.270 1.00 62.42 C ATOM 1031 O LEU A 65 -6.790 8.707 5.950 1.00 73.11 O ATOM 1032 CB LEU A 65 -10.210 8.288 5.737 1.00 1.43 C ATOM 1033 CG LEU A 65 -11.439 7.417 5.480 1.00 50.50 C ATOM 1034 CD1 LEU A 65 -12.686 8.101 6.011 1.00 15.03 C ATOM 1035 CD2 LEU A 65 -11.587 7.127 3.994 1.00 33.51 C ATOM 0 H LEU A 65 -8.060 6.938 7.097 1.00 3.15 H new ATOM 0 HA LEU A 65 -8.975 7.250 4.319 1.00 72.44 H new ATOM 0 HB2 LEU A 65 -10.165 8.515 6.802 1.00 1.43 H new ATOM 0 HB3 LEU A 65 -10.343 9.235 5.214 1.00 1.43 H new ATOM 0 HG LEU A 65 -11.308 6.470 6.004 1.00 50.50 H new ATOM 0 HD11 LEU A 65 -13.555 7.471 5.822 1.00 15.03 H new ATOM 0 HD12 LEU A 65 -12.583 8.264 7.084 1.00 15.03 H new ATOM 0 HD13 LEU A 65 -12.817 9.060 5.509 1.00 15.03 H new ATOM 0 HD21 LEU A 65 -12.467 6.506 3.830 1.00 33.51 H new ATOM 0 HD22 LEU A 65 -11.698 8.065 3.450 1.00 33.51 H new ATOM 0 HD23 LEU A 65 -10.701 6.603 3.636 1.00 33.51 H new ATOM 1047 N LEU A 66 -8.061 9.789 4.452 1.00 24.15 N ATOM 1048 CA LEU A 66 -7.173 10.933 4.349 1.00 3.24 C ATOM 1049 C LEU A 66 -7.952 12.165 3.914 1.00 74.13 C ATOM 1050 O LEU A 66 -8.048 13.131 4.664 1.00 53.42 O ATOM 1051 CB LEU A 66 -6.002 10.662 3.387 1.00 13.34 C ATOM 1052 CG LEU A 66 -6.343 9.921 2.088 1.00 13.11 C ATOM 1053 CD1 LEU A 66 -5.432 10.389 0.964 1.00 31.31 C ATOM 1054 CD2 LEU A 66 -6.200 8.415 2.278 1.00 3.21 C ATOM 0 H LEU A 66 -8.878 9.838 3.844 1.00 24.15 H new ATOM 0 HA LEU A 66 -6.746 11.114 5.336 1.00 3.24 H new ATOM 0 HB2 LEU A 66 -5.547 11.617 3.126 1.00 13.34 H new ATOM 0 HB3 LEU A 66 -5.248 10.085 3.921 1.00 13.34 H new ATOM 0 HG LEU A 66 -7.377 10.144 1.825 1.00 13.11 H new ATOM 0 HD11 LEU A 66 -5.683 9.856 0.047 1.00 31.31 H new ATOM 0 HD12 LEU A 66 -5.565 11.460 0.810 1.00 31.31 H new ATOM 0 HD13 LEU A 66 -4.394 10.187 1.229 1.00 31.31 H new ATOM 0 HD21 LEU A 66 -6.446 7.906 1.346 1.00 3.21 H new ATOM 0 HD22 LEU A 66 -5.174 8.180 2.560 1.00 3.21 H new ATOM 0 HD23 LEU A 66 -6.878 8.081 3.064 1.00 3.21 H new ATOM 1066 N LEU A 67 -8.494 12.122 2.693 1.00 31.20 N ATOM 1067 CA LEU A 67 -9.348 13.193 2.160 1.00 41.13 C ATOM 1068 C LEU A 67 -8.622 14.532 2.147 1.00 50.54 C ATOM 1069 O LEU A 67 -9.244 15.594 2.100 1.00 43.45 O ATOM 1070 CB LEU A 67 -10.637 13.301 2.979 1.00 64.00 C ATOM 1071 CG LEU A 67 -11.460 12.017 3.041 1.00 50.44 C ATOM 1072 CD1 LEU A 67 -12.771 12.260 3.766 1.00 50.32 C ATOM 1073 CD2 LEU A 67 -11.705 11.481 1.640 1.00 1.14 C ATOM 0 H LEU A 67 -8.355 11.346 2.046 1.00 31.20 H new ATOM 0 HA LEU A 67 -9.598 12.937 1.130 1.00 41.13 H new ATOM 0 HB2 LEU A 67 -10.382 13.603 3.995 1.00 64.00 H new ATOM 0 HB3 LEU A 67 -11.255 14.093 2.556 1.00 64.00 H new ATOM 0 HG LEU A 67 -10.899 11.268 3.600 1.00 50.44 H new ATOM 0 HD11 LEU A 67 -13.345 11.334 3.801 1.00 50.32 H new ATOM 0 HD12 LEU A 67 -12.568 12.599 4.782 1.00 50.32 H new ATOM 0 HD13 LEU A 67 -13.344 13.022 3.237 1.00 50.32 H new ATOM 0 HD21 LEU A 67 -12.293 10.565 1.699 1.00 1.14 H new ATOM 0 HD22 LEU A 67 -12.248 12.224 1.056 1.00 1.14 H new ATOM 0 HD23 LEU A 67 -10.750 11.269 1.159 1.00 1.14 H new ATOM 1085 N GLN A 68 -7.304 14.462 2.151 1.00 51.54 N ATOM 1086 CA GLN A 68 -6.466 15.645 2.248 1.00 25.45 C ATOM 1087 C GLN A 68 -5.039 15.315 1.830 1.00 70.15 C ATOM 1088 O GLN A 68 -4.573 15.738 0.774 1.00 55.12 O ATOM 1089 CB GLN A 68 -6.483 16.181 3.685 1.00 61.40 C ATOM 1090 CG GLN A 68 -5.584 17.386 3.911 1.00 0.32 C ATOM 1091 CD GLN A 68 -5.462 17.753 5.377 1.00 41.44 C ATOM 1092 OE1 GLN A 68 -5.555 16.892 6.252 1.00 62.50 O ATOM 1093 NE2 GLN A 68 -5.248 19.029 5.652 1.00 42.02 N ATOM 0 H GLN A 68 -6.784 13.587 2.087 1.00 51.54 H new ATOM 0 HA GLN A 68 -6.858 16.411 1.579 1.00 25.45 H new ATOM 0 HB2 GLN A 68 -7.506 16.450 3.948 1.00 61.40 H new ATOM 0 HB3 GLN A 68 -6.179 15.383 4.362 1.00 61.40 H new ATOM 0 HG2 GLN A 68 -4.593 17.176 3.509 1.00 0.32 H new ATOM 0 HG3 GLN A 68 -5.979 18.238 3.358 1.00 0.32 H new ATOM 0 HE21 GLN A 68 -5.178 19.709 4.895 1.00 42.02 H new ATOM 0 HE22 GLN A 68 -5.153 19.333 6.621 1.00 42.02 H new ATOM 1102 N GLY A 69 -4.358 14.532 2.658 1.00 0.22 N ATOM 1103 CA GLY A 69 -2.981 14.179 2.375 1.00 3.04 C ATOM 1104 C GLY A 69 -2.156 14.021 3.637 1.00 22.31 C ATOM 1105 O GLY A 69 -0.984 13.676 3.573 1.00 13.20 O ATOM 0 H GLY A 69 -4.735 14.136 3.519 1.00 0.22 H new ATOM 0 HA2 GLY A 69 -2.956 13.248 1.809 1.00 3.04 H new ATOM 0 HA3 GLY A 69 -2.533 14.948 1.745 1.00 3.04 H new ATOM 1109 N VAL A 70 -2.783 14.256 4.789 1.00 13.42 N ATOM 1110 CA VAL A 70 -2.115 14.142 6.092 1.00 33.21 C ATOM 1111 C VAL A 70 -1.619 12.711 6.359 1.00 43.54 C ATOM 1112 O VAL A 70 -0.849 12.463 7.286 1.00 61.13 O ATOM 1113 CB VAL A 70 -3.077 14.569 7.225 1.00 74.25 C ATOM 1114 CG1 VAL A 70 -4.205 13.557 7.389 1.00 22.21 C ATOM 1115 CG2 VAL A 70 -2.325 14.773 8.535 1.00 11.12 C ATOM 0 H VAL A 70 -3.764 14.530 4.849 1.00 13.42 H new ATOM 0 HA VAL A 70 -1.249 14.804 6.070 1.00 33.21 H new ATOM 0 HB VAL A 70 -3.522 15.524 6.947 1.00 74.25 H new ATOM 0 HG11 VAL A 70 -4.869 13.879 8.192 1.00 22.21 H new ATOM 0 HG12 VAL A 70 -4.768 13.486 6.459 1.00 22.21 H new ATOM 0 HG13 VAL A 70 -3.786 12.581 7.634 1.00 22.21 H new ATOM 0 HG21 VAL A 70 -3.026 15.073 9.314 1.00 11.12 H new ATOM 0 HG22 VAL A 70 -1.838 13.842 8.824 1.00 11.12 H new ATOM 0 HG23 VAL A 70 -1.572 15.551 8.405 1.00 11.12 H new ATOM 1125 N HIS A 71 -2.052 11.775 5.528 1.00 24.21 N ATOM 1126 CA HIS A 71 -1.721 10.369 5.710 1.00 35.44 C ATOM 1127 C HIS A 71 -0.372 10.050 5.060 1.00 24.32 C ATOM 1128 O HIS A 71 0.089 8.912 5.086 1.00 52.05 O ATOM 1129 CB HIS A 71 -2.826 9.504 5.089 1.00 34.34 C ATOM 1130 CG HIS A 71 -3.067 8.205 5.799 1.00 54.23 C ATOM 1131 ND1 HIS A 71 -4.316 7.794 6.211 1.00 3.32 N ATOM 1132 CD2 HIS A 71 -2.217 7.219 6.159 1.00 52.43 C ATOM 1133 CE1 HIS A 71 -4.220 6.616 6.794 1.00 22.42 C ATOM 1134 NE2 HIS A 71 -2.958 6.241 6.777 1.00 40.51 N ATOM 0 H HIS A 71 -2.638 11.966 4.715 1.00 24.21 H new ATOM 0 HA HIS A 71 -1.647 10.153 6.776 1.00 35.44 H new ATOM 0 HB2 HIS A 71 -3.754 10.075 5.077 1.00 34.34 H new ATOM 0 HB3 HIS A 71 -2.567 9.294 4.051 1.00 34.34 H new ATOM 0 HD1 HIS A 71 -5.181 8.320 6.084 1.00 3.32 H new ATOM 0 HD2 HIS A 71 -1.150 7.202 5.992 1.00 52.43 H new ATOM 0 HE1 HIS A 71 -5.039 6.053 7.215 1.00 22.42 H new ATOM 1143 N ASP A 72 0.262 11.078 4.512 1.00 60.21 N ATOM 1144 CA ASP A 72 1.468 10.924 3.700 1.00 13.04 C ATOM 1145 C ASP A 72 2.673 10.454 4.512 1.00 44.34 C ATOM 1146 O ASP A 72 3.480 9.661 4.031 1.00 41.03 O ATOM 1147 CB ASP A 72 1.804 12.248 3.001 1.00 51.25 C ATOM 1148 CG ASP A 72 2.188 13.355 3.970 1.00 23.33 C ATOM 1149 OD1 ASP A 72 1.508 13.519 5.009 1.00 15.23 O ATOM 1150 OD2 ASP A 72 3.157 14.086 3.684 1.00 43.22 O ATOM 0 H ASP A 72 -0.044 12.045 4.617 1.00 60.21 H new ATOM 0 HA ASP A 72 1.254 10.152 2.961 1.00 13.04 H new ATOM 0 HB2 ASP A 72 2.624 12.085 2.302 1.00 51.25 H new ATOM 0 HB3 ASP A 72 0.944 12.570 2.414 1.00 51.25 H new ATOM 1155 N ASP A 73 2.790 10.919 5.744 1.00 14.43 N ATOM 1156 CA ASP A 73 3.954 10.589 6.559 1.00 32.43 C ATOM 1157 C ASP A 73 3.736 9.257 7.265 1.00 14.23 C ATOM 1158 O ASP A 73 4.648 8.700 7.880 1.00 44.40 O ATOM 1159 CB ASP A 73 4.217 11.699 7.580 1.00 3.55 C ATOM 1160 CG ASP A 73 5.659 11.724 8.059 1.00 2.11 C ATOM 1161 OD1 ASP A 73 6.019 10.925 8.948 1.00 23.31 O ATOM 1162 OD2 ASP A 73 6.443 12.553 7.545 1.00 0.33 O ATOM 0 H ASP A 73 2.104 11.520 6.201 1.00 14.43 H new ATOM 0 HA ASP A 73 4.826 10.502 5.911 1.00 32.43 H new ATOM 0 HB2 ASP A 73 3.969 12.663 7.135 1.00 3.55 H new ATOM 0 HB3 ASP A 73 3.556 11.564 8.436 1.00 3.55 H new ATOM 1167 N VAL A 74 2.522 8.735 7.140 1.00 24.14 N ATOM 1168 CA VAL A 74 2.157 7.486 7.779 1.00 72.23 C ATOM 1169 C VAL A 74 2.732 6.299 7.018 1.00 33.14 C ATOM 1170 O VAL A 74 2.637 6.220 5.789 1.00 43.04 O ATOM 1171 CB VAL A 74 0.624 7.338 7.887 1.00 15.12 C ATOM 1172 CG1 VAL A 74 0.242 5.958 8.400 1.00 73.14 C ATOM 1173 CG2 VAL A 74 0.047 8.422 8.782 1.00 71.14 C ATOM 0 H VAL A 74 1.772 9.164 6.597 1.00 24.14 H new ATOM 0 HA VAL A 74 2.577 7.502 8.785 1.00 72.23 H new ATOM 0 HB VAL A 74 0.202 7.452 6.889 1.00 15.12 H new ATOM 0 HG11 VAL A 74 -0.843 5.882 8.466 1.00 73.14 H new ATOM 0 HG12 VAL A 74 0.618 5.198 7.715 1.00 73.14 H new ATOM 0 HG13 VAL A 74 0.677 5.804 9.387 1.00 73.14 H new ATOM 0 HG21 VAL A 74 -1.035 8.303 8.847 1.00 71.14 H new ATOM 0 HG22 VAL A 74 0.482 8.341 9.778 1.00 71.14 H new ATOM 0 HG23 VAL A 74 0.279 9.401 8.364 1.00 71.14 H new ATOM 1183 N ASP A 75 3.332 5.394 7.766 1.00 74.41 N ATOM 1184 CA ASP A 75 3.935 4.195 7.206 1.00 55.44 C ATOM 1185 C ASP A 75 2.886 3.112 7.002 1.00 54.34 C ATOM 1186 O ASP A 75 2.109 2.804 7.908 1.00 71.51 O ATOM 1187 CB ASP A 75 5.040 3.671 8.130 1.00 44.11 C ATOM 1188 CG ASP A 75 6.109 4.710 8.413 1.00 62.51 C ATOM 1189 OD1 ASP A 75 7.001 4.907 7.566 1.00 72.21 O ATOM 1190 OD2 ASP A 75 6.056 5.348 9.487 1.00 64.14 O ATOM 0 H ASP A 75 3.417 5.467 8.780 1.00 74.41 H new ATOM 0 HA ASP A 75 4.368 4.454 6.240 1.00 55.44 H new ATOM 0 HB2 ASP A 75 4.597 3.346 9.071 1.00 44.11 H new ATOM 0 HB3 ASP A 75 5.502 2.795 7.676 1.00 44.11 H new ATOM 1195 N ILE A 76 2.855 2.556 5.804 1.00 72.01 N ATOM 1196 CA ILE A 76 1.973 1.444 5.497 1.00 33.01 C ATOM 1197 C ILE A 76 2.734 0.138 5.698 1.00 42.00 C ATOM 1198 O ILE A 76 3.722 -0.126 5.008 1.00 74.03 O ATOM 1199 CB ILE A 76 1.451 1.522 4.044 1.00 52.14 C ATOM 1200 CG1 ILE A 76 0.934 2.935 3.727 1.00 44.10 C ATOM 1201 CG2 ILE A 76 0.358 0.482 3.820 1.00 11.43 C ATOM 1202 CD1 ILE A 76 -0.301 3.340 4.501 1.00 22.12 C ATOM 0 H ILE A 76 3.435 2.859 5.022 1.00 72.01 H new ATOM 0 HA ILE A 76 1.113 1.489 6.165 1.00 33.01 H new ATOM 0 HB ILE A 76 2.277 1.306 3.366 1.00 52.14 H new ATOM 0 HG12 ILE A 76 1.728 3.653 3.933 1.00 44.10 H new ATOM 0 HG13 ILE A 76 0.716 2.998 2.661 1.00 44.10 H new ATOM 0 HG21 ILE A 76 -0.001 0.547 2.793 1.00 11.43 H new ATOM 0 HG22 ILE A 76 0.761 -0.514 4.001 1.00 11.43 H new ATOM 0 HG23 ILE A 76 -0.468 0.669 4.506 1.00 11.43 H new ATOM 0 HD11 ILE A 76 -0.595 4.350 4.215 1.00 22.12 H new ATOM 0 HD12 ILE A 76 -1.113 2.648 4.278 1.00 22.12 H new ATOM 0 HD13 ILE A 76 -0.086 3.314 5.569 1.00 22.12 H new ATOM 1214 N ILE A 77 2.281 -0.665 6.649 1.00 14.13 N ATOM 1215 CA ILE A 77 3.015 -1.852 7.064 1.00 74.32 C ATOM 1216 C ILE A 77 2.452 -3.112 6.414 1.00 2.14 C ATOM 1217 O ILE A 77 1.245 -3.344 6.427 1.00 62.32 O ATOM 1218 CB ILE A 77 2.983 -1.999 8.602 1.00 71.54 C ATOM 1219 CG1 ILE A 77 3.480 -0.702 9.255 1.00 73.31 C ATOM 1220 CG2 ILE A 77 3.827 -3.189 9.047 1.00 53.31 C ATOM 1221 CD1 ILE A 77 3.419 -0.706 10.765 1.00 13.41 C ATOM 0 H ILE A 77 1.405 -0.516 7.150 1.00 14.13 H new ATOM 0 HA ILE A 77 4.047 -1.730 6.736 1.00 74.32 H new ATOM 0 HB ILE A 77 1.957 -2.182 8.920 1.00 71.54 H new ATOM 0 HG12 ILE A 77 4.510 -0.523 8.945 1.00 73.31 H new ATOM 0 HG13 ILE A 77 2.885 0.131 8.881 1.00 73.31 H new ATOM 0 HG21 ILE A 77 3.791 -3.275 10.133 1.00 53.31 H new ATOM 0 HG22 ILE A 77 3.435 -4.101 8.598 1.00 53.31 H new ATOM 0 HG23 ILE A 77 4.859 -3.042 8.729 1.00 53.31 H new ATOM 0 HD11 ILE A 77 3.788 0.246 11.147 1.00 13.41 H new ATOM 0 HD12 ILE A 77 2.388 -0.851 11.087 1.00 13.41 H new ATOM 0 HD13 ILE A 77 4.037 -1.516 11.152 1.00 13.41 H new ATOM 1233 N LEU A 78 3.336 -3.916 5.841 1.00 55.12 N ATOM 1234 CA LEU A 78 2.952 -5.168 5.201 1.00 41.40 C ATOM 1235 C LEU A 78 2.850 -6.286 6.241 1.00 41.04 C ATOM 1236 O LEU A 78 3.823 -6.590 6.932 1.00 63.32 O ATOM 1237 CB LEU A 78 3.987 -5.541 4.132 1.00 15.33 C ATOM 1238 CG LEU A 78 3.644 -6.763 3.279 1.00 33.41 C ATOM 1239 CD1 LEU A 78 2.458 -6.470 2.374 1.00 73.22 C ATOM 1240 CD2 LEU A 78 4.850 -7.190 2.457 1.00 4.25 C ATOM 0 H LEU A 78 4.337 -3.721 5.806 1.00 55.12 H new ATOM 0 HA LEU A 78 1.978 -5.040 4.729 1.00 41.40 H new ATOM 0 HB2 LEU A 78 4.124 -4.686 3.471 1.00 15.33 H new ATOM 0 HB3 LEU A 78 4.943 -5.720 4.624 1.00 15.33 H new ATOM 0 HG LEU A 78 3.371 -7.582 3.945 1.00 33.41 H new ATOM 0 HD11 LEU A 78 2.230 -7.352 1.776 1.00 73.22 H new ATOM 0 HD12 LEU A 78 1.592 -6.211 2.982 1.00 73.22 H new ATOM 0 HD13 LEU A 78 2.701 -5.637 1.714 1.00 73.22 H new ATOM 0 HD21 LEU A 78 4.590 -8.061 1.855 1.00 4.25 H new ATOM 0 HD22 LEU A 78 5.151 -6.373 1.802 1.00 4.25 H new ATOM 0 HD23 LEU A 78 5.674 -7.443 3.124 1.00 4.25 H new ATOM 1252 N LEU A 79 1.673 -6.891 6.351 1.00 20.42 N ATOM 1253 CA LEU A 79 1.446 -7.951 7.328 1.00 32.45 C ATOM 1254 C LEU A 79 1.651 -9.323 6.705 1.00 60.21 C ATOM 1255 O LEU A 79 2.284 -10.196 7.299 1.00 64.31 O ATOM 1256 CB LEU A 79 0.029 -7.861 7.900 1.00 61.11 C ATOM 1257 CG LEU A 79 -0.272 -6.606 8.721 1.00 44.11 C ATOM 1258 CD1 LEU A 79 -1.719 -6.613 9.187 1.00 64.21 C ATOM 1259 CD2 LEU A 79 0.673 -6.509 9.909 1.00 73.15 C ATOM 0 H LEU A 79 0.861 -6.666 5.776 1.00 20.42 H new ATOM 0 HA LEU A 79 2.170 -7.818 8.132 1.00 32.45 H new ATOM 0 HB2 LEU A 79 -0.681 -7.913 7.075 1.00 61.11 H new ATOM 0 HB3 LEU A 79 -0.147 -8.735 8.527 1.00 61.11 H new ATOM 0 HG LEU A 79 -0.118 -5.732 8.088 1.00 44.11 H new ATOM 0 HD11 LEU A 79 -1.918 -5.714 9.770 1.00 64.21 H new ATOM 0 HD12 LEU A 79 -2.380 -6.638 8.321 1.00 64.21 H new ATOM 0 HD13 LEU A 79 -1.898 -7.493 9.805 1.00 64.21 H new ATOM 0 HD21 LEU A 79 0.445 -5.611 10.483 1.00 73.15 H new ATOM 0 HD22 LEU A 79 0.550 -7.386 10.544 1.00 73.15 H new ATOM 0 HD23 LEU A 79 1.702 -6.461 9.552 1.00 73.15 H new ATOM 1271 N GLN A 80 1.121 -9.507 5.505 1.00 3.50 N ATOM 1272 CA GLN A 80 1.274 -10.765 4.797 1.00 51.14 C ATOM 1273 C GLN A 80 2.231 -10.598 3.635 1.00 73.41 C ATOM 1274 O GLN A 80 2.105 -9.664 2.846 1.00 15.24 O ATOM 1275 CB GLN A 80 -0.073 -11.271 4.275 1.00 2.15 C ATOM 1276 CG GLN A 80 -0.965 -11.893 5.336 1.00 15.02 C ATOM 1277 CD GLN A 80 -2.216 -12.513 4.741 1.00 64.04 C ATOM 1278 OE1 GLN A 80 -3.280 -11.731 4.648 1.00 43.44 O flip ATOM 1279 NE2 GLN A 80 -2.225 -13.689 4.369 1.00 12.42 N flip ATOM 0 H GLN A 80 0.582 -8.801 5.003 1.00 3.50 H new ATOM 0 HA GLN A 80 1.674 -11.496 5.499 1.00 51.14 H new ATOM 0 HB2 GLN A 80 -0.605 -10.440 3.813 1.00 2.15 H new ATOM 0 HB3 GLN A 80 0.108 -12.008 3.493 1.00 2.15 H new ATOM 0 HG2 GLN A 80 -0.405 -12.656 5.877 1.00 15.02 H new ATOM 0 HG3 GLN A 80 -1.249 -11.131 6.062 1.00 15.02 H new ATOM 0 HE21 GLN A 80 -1.383 -14.258 4.458 1.00 12.42 H new ATOM 0 HE22 GLN A 80 -3.074 -14.092 3.972 1.00 12.42 H new ATOM 1288 N ASP A 81 3.178 -11.510 3.523 1.00 60.23 N ATOM 1289 CA ASP A 81 4.123 -11.482 2.427 1.00 64.43 C ATOM 1290 C ASP A 81 3.697 -12.467 1.344 1.00 52.50 C ATOM 1291 O ASP A 81 3.863 -13.683 1.478 1.00 4.15 O ATOM 1292 CB ASP A 81 5.555 -11.761 2.921 1.00 32.22 C ATOM 1293 CG ASP A 81 5.716 -13.095 3.630 1.00 14.12 C ATOM 1294 OD1 ASP A 81 4.958 -13.372 4.588 1.00 15.32 O ATOM 1295 OD2 ASP A 81 6.613 -13.872 3.241 1.00 5.35 O ATOM 0 H ASP A 81 3.312 -12.279 4.179 1.00 60.23 H new ATOM 0 HA ASP A 81 4.126 -10.482 1.993 1.00 64.43 H new ATOM 0 HB2 ASP A 81 6.235 -11.730 2.069 1.00 32.22 H new ATOM 0 HB3 ASP A 81 5.856 -10.962 3.599 1.00 32.22 H new ATOM 1300 N LEU A 82 3.085 -11.926 0.294 1.00 72.42 N ATOM 1301 CA LEU A 82 2.654 -12.722 -0.851 1.00 41.33 C ATOM 1302 C LEU A 82 3.861 -13.433 -1.441 1.00 50.55 C ATOM 1303 O LEU A 82 3.885 -14.659 -1.573 1.00 11.23 O ATOM 1304 CB LEU A 82 1.972 -11.810 -1.891 1.00 75.30 C ATOM 1305 CG LEU A 82 1.273 -12.505 -3.072 1.00 54.11 C ATOM 1306 CD1 LEU A 82 2.271 -12.930 -4.139 1.00 32.43 C ATOM 1307 CD2 LEU A 82 0.473 -13.707 -2.590 1.00 32.41 C ATOM 0 H LEU A 82 2.875 -10.931 0.213 1.00 72.42 H new ATOM 0 HA LEU A 82 1.928 -13.473 -0.539 1.00 41.33 H new ATOM 0 HB2 LEU A 82 1.235 -11.197 -1.373 1.00 75.30 H new ATOM 0 HB3 LEU A 82 2.725 -11.132 -2.293 1.00 75.30 H new ATOM 0 HG LEU A 82 0.590 -11.784 -3.520 1.00 54.11 H new ATOM 0 HD11 LEU A 82 1.742 -13.418 -4.958 1.00 32.43 H new ATOM 0 HD12 LEU A 82 2.795 -12.052 -4.517 1.00 32.43 H new ATOM 0 HD13 LEU A 82 2.991 -13.625 -3.707 1.00 32.43 H new ATOM 0 HD21 LEU A 82 -0.014 -14.185 -3.440 1.00 32.41 H new ATOM 0 HD22 LEU A 82 1.142 -14.420 -2.107 1.00 32.41 H new ATOM 0 HD23 LEU A 82 -0.283 -13.379 -1.877 1.00 32.41 H new ATOM 1319 N GLU A 83 4.856 -12.649 -1.781 1.00 32.14 N ATOM 1320 CA GLU A 83 6.147 -13.165 -2.176 1.00 23.34 C ATOM 1321 C GLU A 83 7.164 -12.798 -1.102 1.00 54.44 C ATOM 1322 O GLU A 83 6.967 -11.831 -0.365 1.00 50.04 O ATOM 1323 CB GLU A 83 6.562 -12.621 -3.552 1.00 11.13 C ATOM 1324 CG GLU A 83 5.744 -11.426 -4.035 1.00 42.10 C ATOM 1325 CD GLU A 83 5.978 -10.172 -3.217 1.00 12.30 C ATOM 1326 OE1 GLU A 83 5.259 -9.971 -2.211 1.00 63.35 O ATOM 1327 OE2 GLU A 83 6.881 -9.385 -3.577 1.00 65.52 O ATOM 0 H GLU A 83 4.794 -11.631 -1.792 1.00 32.14 H new ATOM 0 HA GLU A 83 6.097 -14.250 -2.270 1.00 23.34 H new ATOM 0 HB2 GLU A 83 7.613 -12.334 -3.513 1.00 11.13 H new ATOM 0 HB3 GLU A 83 6.478 -13.423 -4.286 1.00 11.13 H new ATOM 0 HG2 GLU A 83 5.990 -11.223 -5.077 1.00 42.10 H new ATOM 0 HG3 GLU A 83 4.685 -11.682 -4.001 1.00 42.10 H new ATOM 1334 N HIS A 84 8.231 -13.571 -0.990 1.00 20.25 N ATOM 1335 CA HIS A 84 9.181 -13.370 0.096 1.00 34.34 C ATOM 1336 C HIS A 84 10.272 -12.390 -0.321 1.00 53.52 C ATOM 1337 O HIS A 84 10.128 -11.180 -0.140 1.00 11.12 O ATOM 1338 CB HIS A 84 9.801 -14.703 0.541 1.00 14.31 C ATOM 1339 CG HIS A 84 8.797 -15.783 0.833 1.00 42.30 C ATOM 1340 ND1 HIS A 84 7.659 -15.588 1.589 1.00 32.20 N ATOM 1341 CD2 HIS A 84 8.767 -17.082 0.450 1.00 53.24 C ATOM 1342 CE1 HIS A 84 6.979 -16.716 1.656 1.00 61.32 C ATOM 1343 NE2 HIS A 84 7.627 -17.637 0.974 1.00 71.42 N ATOM 0 H HIS A 84 8.461 -14.334 -1.627 1.00 20.25 H new ATOM 0 HA HIS A 84 8.639 -12.949 0.942 1.00 34.34 H new ATOM 0 HB2 HIS A 84 10.479 -15.053 -0.238 1.00 14.31 H new ATOM 0 HB3 HIS A 84 10.403 -14.531 1.433 1.00 14.31 H new ATOM 0 HD1 HIS A 84 7.386 -14.708 2.028 1.00 32.20 H new ATOM 0 HD2 HIS A 84 9.504 -17.587 -0.156 1.00 53.24 H new ATOM 0 HE1 HIS A 84 6.047 -16.860 2.182 1.00 61.32 H new ATOM 1352 N HIS A 85 11.344 -12.916 -0.907 1.00 21.14 N ATOM 1353 CA HIS A 85 12.470 -12.101 -1.350 1.00 60.32 C ATOM 1354 C HIS A 85 13.562 -13.002 -1.910 1.00 44.41 C ATOM 1355 O HIS A 85 13.517 -13.309 -3.115 1.00 64.14 O ATOM 1356 CB HIS A 85 13.027 -11.254 -0.196 1.00 42.45 C ATOM 1357 CG HIS A 85 14.080 -10.272 -0.614 1.00 11.04 C ATOM 1358 ND1 HIS A 85 15.303 -10.171 0.009 1.00 24.32 N ATOM 1359 CD2 HIS A 85 14.082 -9.338 -1.593 1.00 53.22 C ATOM 1360 CE1 HIS A 85 16.011 -9.217 -0.567 1.00 22.03 C ATOM 1361 NE2 HIS A 85 15.294 -8.695 -1.543 1.00 63.43 N ATOM 0 H HIS A 85 11.456 -13.914 -1.087 1.00 21.14 H new ATOM 0 HA HIS A 85 12.121 -11.422 -2.128 1.00 60.32 H new ATOM 0 HB2 HIS A 85 12.206 -10.713 0.273 1.00 42.45 H new ATOM 0 HB3 HIS A 85 13.444 -11.919 0.561 1.00 42.45 H new ATOM 0 HD2 HIS A 85 13.279 -9.136 -2.286 1.00 53.22 H new ATOM 0 HE1 HIS A 85 17.009 -8.915 -0.286 1.00 22.03 H new ATOM 0 HE2 HIS A 85 15.591 -7.938 -2.159 1.00 63.43 H new TER 1370 HIS A 85