USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 956 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 98 THR OG1 : rot 180:sc= 0.889 USER MOD Set 1.2: A 101 SER OG : rot -88:sc= 0.8 USER MOD Set 2.1: A 54 SER OG : rot -59:sc= 1.32 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 1.03 K(o=2.3,f=-6.1!) USER MOD Set 3.1: A 36 GLN : amide:sc= 0.642 X(o=1.2,f=1.4) USER MOD Set 3.2: A 57 SER OG : rot 180:sc= 0.571 USER MOD Set 4.1: A 35 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0) USER MOD Set 4.2: A 107 ASN : amide:sc= 0.934 K(o=2.1,f=-9.4!) USER MOD Set 5.1: A 9 SER OG : rot 180:sc= -0.01 USER MOD Set 5.2: A 10 HIS : no HD1:sc= -0.0601 X(o=-0.07,f=-0.01) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.209 (180deg=-0.686) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0752) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.45) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 6 HIS : no HD1:sc= -0.0096 X(o=-0.0096,f=-0.006) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 161:sc= -0.103 (180deg=-0.557) USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= 1 (180deg=0.758) USER MOD Single : A 17 GLN : amide:sc= 0.937 K(o=0.94,f=-0.52) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.832 K(o=-0.83,f=-2.9!) USER MOD Single : A 30 GLN : amide:sc= 0.756 K(o=0.76,f=-9.3!) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.581) USER MOD Single : A 44 SER OG : rot 170:sc= 0.00382 USER MOD Single : A 45 HIS : no HD1:sc= -0.515 K(o=-0.52,f=-3.1!) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.0242 (180deg=-0.176) USER MOD Single : A 51 TYR OH : rot -106:sc= 0.766 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.622 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 67 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.9!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0814 X(o=-0.081,f=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.06) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HE2:sc= 0.741 K(o=0.74,f=-3.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -81:sc= 1.23 USER MOD Single : A 94 LYS NZ :NH3+ 140:sc= -0.0944 (180deg=-0.171) USER MOD Single : A 95 GLN : amide:sc= -0.0594 X(o=-0.059,f=-0.17) USER MOD Single : A 99 LYS NZ :NH3+ -171:sc=-0.00451 (180deg=-0.0714) USER MOD Single : A 100 LYS NZ :NH3+ -130:sc= -1.2 (180deg=-3.66!) USER MOD Single : A 111 LYS NZ :NH3+ -125:sc= -0.433 (180deg=-0.724) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.068 -19.466 -26.051 1.00 4.32 N ATOM 2 CA MET A 1 -6.824 -19.070 -26.768 1.00 44.30 C ATOM 3 C MET A 1 -5.904 -18.228 -25.872 1.00 41.03 C ATOM 4 O MET A 1 -5.603 -17.073 -26.180 1.00 61.35 O ATOM 5 CB MET A 1 -7.160 -18.285 -28.046 1.00 41.43 C ATOM 6 CG MET A 1 -8.019 -19.049 -29.042 1.00 24.00 C ATOM 7 SD MET A 1 -8.276 -18.130 -30.577 1.00 11.13 S ATOM 8 CE MET A 1 -8.967 -16.598 -29.960 1.00 1.45 C ATOM 0 H1 MET A 1 -8.611 -20.130 -26.639 1.00 4.32 H new ATOM 0 H2 MET A 1 -7.819 -19.925 -25.151 1.00 4.32 H new ATOM 0 H3 MET A 1 -8.643 -18.621 -25.861 1.00 4.32 H new ATOM 0 HA MET A 1 -6.299 -19.986 -27.038 1.00 44.30 H new ATOM 0 HB2 MET A 1 -7.676 -17.366 -27.769 1.00 41.43 H new ATOM 0 HB3 MET A 1 -6.230 -17.993 -28.534 1.00 41.43 H new ATOM 0 HG2 MET A 1 -7.545 -20.004 -29.269 1.00 24.00 H new ATOM 0 HG3 MET A 1 -8.985 -19.272 -28.589 1.00 24.00 H new ATOM 0 HE1 MET A 1 -9.481 -16.079 -30.769 1.00 1.45 H new ATOM 0 HE2 MET A 1 -9.675 -16.814 -29.160 1.00 1.45 H new ATOM 0 HE3 MET A 1 -8.166 -15.967 -29.575 1.00 1.45 H new ATOM 20 N GLY A 2 -5.463 -18.810 -24.760 1.00 60.14 N ATOM 21 CA GLY A 2 -4.547 -18.118 -23.859 1.00 50.10 C ATOM 22 C GLY A 2 -3.092 -18.490 -24.110 1.00 33.31 C ATOM 23 O GLY A 2 -2.802 -19.532 -24.708 1.00 44.13 O ATOM 0 H GLY A 2 -5.722 -19.751 -24.463 1.00 60.14 H new ATOM 0 HA2 GLY A 2 -4.669 -17.041 -23.978 1.00 50.10 H new ATOM 0 HA3 GLY A 2 -4.807 -18.356 -22.828 1.00 50.10 H new ATOM 27 N HIS A 3 -2.172 -17.646 -23.653 1.00 22.40 N ATOM 28 CA HIS A 3 -0.738 -17.907 -23.817 1.00 34.40 C ATOM 29 C HIS A 3 0.073 -17.392 -22.617 1.00 4.45 C ATOM 30 O HIS A 3 -0.406 -16.567 -21.837 1.00 5.43 O ATOM 31 CB HIS A 3 -0.225 -17.269 -25.117 1.00 44.41 C ATOM 32 CG HIS A 3 -0.543 -15.809 -25.245 1.00 33.01 C ATOM 33 ND1 HIS A 3 -1.623 -15.336 -25.954 1.00 13.01 N ATOM 34 CD2 HIS A 3 0.088 -14.712 -24.758 1.00 73.32 C ATOM 35 CE1 HIS A 3 -1.644 -14.020 -25.900 1.00 4.12 C ATOM 36 NE2 HIS A 3 -0.618 -13.614 -25.179 1.00 10.25 N ATOM 0 H HIS A 3 -2.389 -16.776 -23.167 1.00 22.40 H new ATOM 0 HA HIS A 3 -0.603 -18.987 -23.871 1.00 34.40 H new ATOM 0 HB2 HIS A 3 0.855 -17.402 -25.173 1.00 44.41 H new ATOM 0 HB3 HIS A 3 -0.656 -17.800 -25.966 1.00 44.41 H new ATOM 0 HD2 HIS A 3 0.981 -14.704 -24.151 1.00 73.32 H new ATOM 0 HE1 HIS A 3 -2.378 -13.381 -26.368 1.00 4.12 H new ATOM 0 HE2 HIS A 3 -0.387 -12.643 -24.969 1.00 10.25 H new ATOM 45 N HIS A 4 1.302 -17.893 -22.481 1.00 23.22 N ATOM 46 CA HIS A 4 2.220 -17.450 -21.423 1.00 54.55 C ATOM 47 C HIS A 4 2.388 -15.922 -21.416 1.00 13.51 C ATOM 48 O HIS A 4 2.651 -15.307 -22.453 1.00 33.14 O ATOM 49 CB HIS A 4 3.584 -18.138 -21.586 1.00 23.35 C ATOM 50 CG HIS A 4 4.157 -18.025 -22.969 1.00 55.13 C ATOM 51 ND1 HIS A 4 3.990 -18.994 -23.933 1.00 31.54 N ATOM 52 CD2 HIS A 4 4.886 -17.044 -23.555 1.00 41.43 C ATOM 53 CE1 HIS A 4 4.582 -18.616 -25.047 1.00 4.45 C ATOM 54 NE2 HIS A 4 5.134 -17.439 -24.847 1.00 34.35 N ATOM 0 H HIS A 4 1.689 -18.611 -23.094 1.00 23.22 H new ATOM 0 HA HIS A 4 1.786 -17.735 -20.465 1.00 54.55 H new ATOM 0 HB2 HIS A 4 4.287 -17.704 -20.875 1.00 23.35 H new ATOM 0 HB3 HIS A 4 3.482 -19.193 -21.330 1.00 23.35 H new ATOM 0 HD2 HIS A 4 5.211 -16.124 -23.093 1.00 41.43 H new ATOM 0 HE1 HIS A 4 4.610 -19.178 -25.969 1.00 4.45 H new ATOM 0 HE2 HIS A 4 5.661 -16.906 -25.539 1.00 34.35 H new ATOM 63 N HIS A 5 2.234 -15.322 -20.242 1.00 74.44 N ATOM 64 CA HIS A 5 2.302 -13.867 -20.088 1.00 15.55 C ATOM 65 C HIS A 5 3.000 -13.494 -18.766 1.00 73.12 C ATOM 66 O HIS A 5 2.495 -13.785 -17.679 1.00 4.32 O ATOM 67 CB HIS A 5 0.878 -13.282 -20.143 1.00 13.32 C ATOM 68 CG HIS A 5 0.827 -11.785 -20.218 1.00 34.14 C ATOM 69 ND1 HIS A 5 0.174 -11.008 -19.288 1.00 15.04 N ATOM 70 CD2 HIS A 5 1.330 -10.921 -21.133 1.00 42.02 C ATOM 71 CE1 HIS A 5 0.275 -9.740 -19.624 1.00 24.54 C ATOM 72 NE2 HIS A 5 0.969 -9.656 -20.738 1.00 72.44 N ATOM 0 H HIS A 5 2.059 -15.824 -19.371 1.00 74.44 H new ATOM 0 HA HIS A 5 2.890 -13.445 -20.903 1.00 15.55 H new ATOM 0 HB2 HIS A 5 0.362 -13.695 -21.009 1.00 13.32 H new ATOM 0 HB3 HIS A 5 0.330 -13.609 -19.259 1.00 13.32 H new ATOM 0 HD2 HIS A 5 1.907 -11.179 -22.009 1.00 42.02 H new ATOM 0 HE1 HIS A 5 -0.142 -8.908 -19.077 1.00 24.54 H new ATOM 0 HE2 HIS A 5 1.201 -8.792 -21.229 1.00 72.44 H new ATOM 81 N HIS A 6 4.167 -12.858 -18.865 1.00 12.21 N ATOM 82 CA HIS A 6 4.971 -12.512 -17.683 1.00 12.43 C ATOM 83 C HIS A 6 5.233 -10.998 -17.601 1.00 52.00 C ATOM 84 O HIS A 6 5.356 -10.320 -18.622 1.00 72.30 O ATOM 85 CB HIS A 6 6.313 -13.252 -17.726 1.00 41.34 C ATOM 86 CG HIS A 6 6.190 -14.728 -17.954 1.00 60.20 C ATOM 87 ND1 HIS A 6 6.349 -15.311 -19.191 1.00 44.25 N ATOM 88 CD2 HIS A 6 5.941 -15.744 -17.096 1.00 45.50 C ATOM 89 CE1 HIS A 6 6.203 -16.614 -19.088 1.00 13.31 C ATOM 90 NE2 HIS A 6 5.957 -16.907 -17.827 1.00 70.55 N ATOM 0 H HIS A 6 4.581 -12.570 -19.751 1.00 12.21 H new ATOM 0 HA HIS A 6 4.406 -12.813 -16.801 1.00 12.43 H new ATOM 0 HB2 HIS A 6 6.927 -12.823 -18.518 1.00 41.34 H new ATOM 0 HB3 HIS A 6 6.839 -13.083 -16.787 1.00 41.34 H new ATOM 0 HD2 HIS A 6 5.763 -15.657 -16.034 1.00 45.50 H new ATOM 0 HE1 HIS A 6 6.273 -17.323 -19.899 1.00 13.31 H new ATOM 0 HE2 HIS A 6 5.804 -17.844 -17.455 1.00 70.55 H new ATOM 99 N HIS A 7 5.333 -10.473 -16.379 1.00 12.32 N ATOM 100 CA HIS A 7 5.641 -9.053 -16.173 1.00 34.33 C ATOM 101 C HIS A 7 7.137 -8.840 -15.893 1.00 22.14 C ATOM 102 O HIS A 7 7.586 -8.931 -14.749 1.00 14.13 O ATOM 103 CB HIS A 7 4.805 -8.477 -15.022 1.00 54.14 C ATOM 104 CG HIS A 7 3.330 -8.459 -15.296 1.00 35.15 C ATOM 105 ND1 HIS A 7 2.431 -9.287 -14.661 1.00 31.52 N ATOM 106 CD2 HIS A 7 2.599 -7.694 -16.139 1.00 13.23 C ATOM 107 CE1 HIS A 7 1.213 -9.036 -15.101 1.00 74.13 C ATOM 108 NE2 HIS A 7 1.288 -8.073 -15.999 1.00 55.00 N ATOM 0 H HIS A 7 5.206 -11.006 -15.518 1.00 12.32 H new ATOM 0 HA HIS A 7 5.387 -8.526 -17.093 1.00 34.33 H new ATOM 0 HB2 HIS A 7 4.991 -9.063 -14.122 1.00 54.14 H new ATOM 0 HB3 HIS A 7 5.139 -7.460 -14.816 1.00 54.14 H new ATOM 0 HD2 HIS A 7 2.977 -6.928 -16.799 1.00 13.23 H new ATOM 0 HE1 HIS A 7 0.310 -9.534 -14.781 1.00 74.13 H new ATOM 0 HE2 HIS A 7 0.499 -7.674 -16.507 1.00 55.00 H new ATOM 117 N HIS A 8 7.904 -8.581 -16.948 1.00 70.34 N ATOM 118 CA HIS A 8 9.333 -8.268 -16.822 1.00 61.24 C ATOM 119 C HIS A 8 9.712 -7.071 -17.704 1.00 50.10 C ATOM 120 O HIS A 8 9.851 -7.200 -18.920 1.00 62.35 O ATOM 121 CB HIS A 8 10.198 -9.488 -17.176 1.00 24.13 C ATOM 122 CG HIS A 8 10.078 -10.610 -16.187 1.00 34.23 C ATOM 123 ND1 HIS A 8 10.568 -10.528 -14.901 1.00 0.32 N ATOM 124 CD2 HIS A 8 9.520 -11.841 -16.294 1.00 51.04 C ATOM 125 CE1 HIS A 8 10.317 -11.653 -14.263 1.00 63.15 C ATOM 126 NE2 HIS A 8 9.681 -12.465 -15.082 1.00 73.32 N ATOM 0 H HIS A 8 7.561 -8.581 -17.909 1.00 70.34 H new ATOM 0 HA HIS A 8 9.524 -8.003 -15.782 1.00 61.24 H new ATOM 0 HB2 HIS A 8 9.914 -9.852 -18.163 1.00 24.13 H new ATOM 0 HB3 HIS A 8 11.241 -9.179 -17.239 1.00 24.13 H new ATOM 0 HD2 HIS A 8 9.039 -12.253 -17.169 1.00 51.04 H new ATOM 0 HE1 HIS A 8 10.587 -11.872 -13.241 1.00 63.15 H new ATOM 0 HE2 HIS A 8 9.360 -13.406 -14.853 1.00 73.32 H new ATOM 135 N SER A 9 9.858 -5.907 -17.080 1.00 22.41 N ATOM 136 CA SER A 9 10.226 -4.670 -17.785 1.00 60.03 C ATOM 137 C SER A 9 10.731 -3.616 -16.793 1.00 10.21 C ATOM 138 O SER A 9 10.919 -3.909 -15.609 1.00 23.04 O ATOM 139 CB SER A 9 9.024 -4.117 -18.570 1.00 43.53 C ATOM 140 OG SER A 9 9.366 -2.934 -19.278 1.00 72.32 O ATOM 0 H SER A 9 9.727 -5.787 -16.076 1.00 22.41 H new ATOM 0 HA SER A 9 11.026 -4.905 -18.487 1.00 60.03 H new ATOM 0 HB2 SER A 9 8.667 -4.872 -19.271 1.00 43.53 H new ATOM 0 HB3 SER A 9 8.204 -3.907 -17.883 1.00 43.53 H new ATOM 0 HG SER A 9 8.582 -2.608 -19.768 1.00 72.32 H new ATOM 146 N HIS A 10 10.961 -2.395 -17.272 1.00 20.24 N ATOM 147 CA HIS A 10 11.412 -1.295 -16.408 1.00 62.13 C ATOM 148 C HIS A 10 10.268 -0.797 -15.504 1.00 71.23 C ATOM 149 O HIS A 10 9.101 -1.138 -15.714 1.00 63.42 O ATOM 150 CB HIS A 10 11.953 -0.134 -17.252 1.00 55.14 C ATOM 151 CG HIS A 10 10.897 0.600 -18.021 1.00 64.01 C ATOM 152 ND1 HIS A 10 10.484 1.875 -17.693 1.00 53.35 N ATOM 153 CD2 HIS A 10 10.164 0.243 -19.104 1.00 41.13 C ATOM 154 CE1 HIS A 10 9.549 2.263 -18.530 1.00 1.55 C ATOM 155 NE2 HIS A 10 9.336 1.295 -19.395 1.00 21.43 N ATOM 0 H HIS A 10 10.844 -2.138 -18.252 1.00 20.24 H new ATOM 0 HA HIS A 10 12.213 -1.676 -15.774 1.00 62.13 H new ATOM 0 HB2 HIS A 10 12.467 0.570 -16.597 1.00 55.14 H new ATOM 0 HB3 HIS A 10 12.695 -0.520 -17.951 1.00 55.14 H new ATOM 0 HD2 HIS A 10 10.222 -0.694 -19.637 1.00 41.13 H new ATOM 0 HE1 HIS A 10 9.041 3.216 -18.511 1.00 1.55 H new ATOM 0 HE2 HIS A 10 8.662 1.323 -20.160 1.00 21.43 H new ATOM 164 N MET A 11 10.601 0.032 -14.521 1.00 42.33 N ATOM 165 CA MET A 11 9.613 0.512 -13.553 1.00 63.22 C ATOM 166 C MET A 11 8.563 1.430 -14.207 1.00 24.35 C ATOM 167 O MET A 11 8.824 2.604 -14.478 1.00 32.45 O ATOM 168 CB MET A 11 10.309 1.253 -12.399 1.00 74.13 C ATOM 169 CG MET A 11 9.363 1.682 -11.281 1.00 23.43 C ATOM 170 SD MET A 11 10.206 2.573 -9.955 1.00 4.12 S ATOM 171 CE MET A 11 10.750 4.045 -10.824 1.00 41.22 C ATOM 0 H MET A 11 11.545 0.387 -14.371 1.00 42.33 H new ATOM 0 HA MET A 11 9.093 -0.363 -13.162 1.00 63.22 H new ATOM 0 HB2 MET A 11 11.082 0.609 -11.980 1.00 74.13 H new ATOM 0 HB3 MET A 11 10.810 2.136 -12.797 1.00 74.13 H new ATOM 0 HG2 MET A 11 8.579 2.315 -11.697 1.00 23.43 H new ATOM 0 HG3 MET A 11 8.874 0.800 -10.867 1.00 23.43 H new ATOM 0 HE1 MET A 11 10.978 4.830 -10.103 1.00 41.22 H new ATOM 0 HE2 MET A 11 11.643 3.815 -11.405 1.00 41.22 H new ATOM 0 HE3 MET A 11 9.960 4.386 -11.493 1.00 41.22 H new ATOM 181 N LYS A 12 7.383 0.874 -14.479 1.00 32.34 N ATOM 182 CA LYS A 12 6.233 1.666 -14.933 1.00 14.03 C ATOM 183 C LYS A 12 5.806 2.688 -13.858 1.00 2.31 C ATOM 184 O LYS A 12 6.008 2.460 -12.664 1.00 11.23 O ATOM 185 CB LYS A 12 5.046 0.742 -15.262 1.00 14.55 C ATOM 186 CG LYS A 12 5.119 0.066 -16.632 1.00 43.51 C ATOM 187 CD LYS A 12 5.090 1.087 -17.770 1.00 62.44 C ATOM 188 CE LYS A 12 4.789 0.440 -19.119 1.00 30.04 C ATOM 189 NZ LYS A 12 3.396 -0.085 -19.195 1.00 21.45 N ATOM 0 H LYS A 12 7.195 -0.125 -14.393 1.00 32.34 H new ATOM 0 HA LYS A 12 6.533 2.207 -15.831 1.00 14.03 H new ATOM 0 HB2 LYS A 12 4.981 -0.030 -14.495 1.00 14.55 H new ATOM 0 HB3 LYS A 12 4.126 1.323 -15.208 1.00 14.55 H new ATOM 0 HG2 LYS A 12 6.032 -0.526 -16.697 1.00 43.51 H new ATOM 0 HG3 LYS A 12 4.283 -0.625 -16.742 1.00 43.51 H new ATOM 0 HD2 LYS A 12 4.336 1.845 -17.556 1.00 62.44 H new ATOM 0 HD3 LYS A 12 6.051 1.599 -17.821 1.00 62.44 H new ATOM 0 HE2 LYS A 12 4.944 1.171 -19.913 1.00 30.04 H new ATOM 0 HE3 LYS A 12 5.492 -0.374 -19.294 1.00 30.04 H new ATOM 0 HZ1 LYS A 12 3.158 -0.297 -20.185 1.00 21.45 H new ATOM 0 HZ2 LYS A 12 3.321 -0.953 -18.628 1.00 21.45 H new ATOM 0 HZ3 LYS A 12 2.736 0.628 -18.825 1.00 21.45 H new ATOM 203 N PRO A 13 5.206 3.828 -14.264 1.00 14.22 N ATOM 204 CA PRO A 13 4.708 4.846 -13.316 1.00 61.14 C ATOM 205 C PRO A 13 3.595 4.315 -12.390 1.00 62.42 C ATOM 206 O PRO A 13 3.061 3.220 -12.595 1.00 52.53 O ATOM 207 CB PRO A 13 4.176 5.962 -14.235 1.00 11.21 C ATOM 208 CG PRO A 13 3.921 5.289 -15.541 1.00 32.02 C ATOM 209 CD PRO A 13 4.983 4.231 -15.664 1.00 71.12 C ATOM 0 HA PRO A 13 5.490 5.177 -12.633 1.00 61.14 H new ATOM 0 HB2 PRO A 13 3.265 6.405 -13.833 1.00 11.21 H new ATOM 0 HB3 PRO A 13 4.902 6.768 -14.340 1.00 11.21 H new ATOM 0 HG2 PRO A 13 2.924 4.849 -15.567 1.00 32.02 H new ATOM 0 HG3 PRO A 13 3.978 5.999 -16.366 1.00 32.02 H new ATOM 0 HD2 PRO A 13 4.651 3.394 -16.278 1.00 71.12 H new ATOM 0 HD3 PRO A 13 5.892 4.621 -16.122 1.00 71.12 H new ATOM 217 N LEU A 14 3.240 5.112 -11.382 1.00 35.04 N ATOM 218 CA LEU A 14 2.266 4.709 -10.361 1.00 35.43 C ATOM 219 C LEU A 14 0.902 4.350 -10.979 1.00 51.05 C ATOM 220 O LEU A 14 0.284 3.358 -10.601 1.00 1.40 O ATOM 221 CB LEU A 14 2.106 5.834 -9.325 1.00 41.40 C ATOM 222 CG LEU A 14 1.202 5.518 -8.122 1.00 73.52 C ATOM 223 CD1 LEU A 14 1.711 4.295 -7.365 1.00 54.43 C ATOM 224 CD2 LEU A 14 1.106 6.729 -7.199 1.00 43.15 C ATOM 0 H LEU A 14 3.616 6.051 -11.248 1.00 35.04 H new ATOM 0 HA LEU A 14 2.644 3.812 -9.870 1.00 35.43 H new ATOM 0 HB2 LEU A 14 3.095 6.100 -8.951 1.00 41.40 H new ATOM 0 HB3 LEU A 14 1.709 6.714 -9.832 1.00 41.40 H new ATOM 0 HG LEU A 14 0.203 5.288 -8.493 1.00 73.52 H new ATOM 0 HD11 LEU A 14 1.055 4.092 -6.519 1.00 54.43 H new ATOM 0 HD12 LEU A 14 1.721 3.433 -8.032 1.00 54.43 H new ATOM 0 HD13 LEU A 14 2.721 4.486 -7.003 1.00 54.43 H new ATOM 0 HD21 LEU A 14 0.463 6.491 -6.352 1.00 43.15 H new ATOM 0 HD22 LEU A 14 2.100 6.991 -6.837 1.00 43.15 H new ATOM 0 HD23 LEU A 14 0.686 7.572 -7.747 1.00 43.15 H new ATOM 236 N ALA A 15 0.447 5.155 -11.941 1.00 43.32 N ATOM 237 CA ALA A 15 -0.841 4.918 -12.612 1.00 4.10 C ATOM 238 C ALA A 15 -0.862 3.591 -13.395 1.00 34.54 C ATOM 239 O ALA A 15 -1.929 3.045 -13.690 1.00 25.51 O ATOM 240 CB ALA A 15 -1.169 6.084 -13.541 1.00 1.13 C ATOM 0 H ALA A 15 0.948 5.978 -12.276 1.00 43.32 H new ATOM 0 HA ALA A 15 -1.602 4.843 -11.835 1.00 4.10 H new ATOM 0 HB1 ALA A 15 -2.124 5.900 -14.033 1.00 1.13 H new ATOM 0 HB2 ALA A 15 -1.231 7.005 -12.961 1.00 1.13 H new ATOM 0 HB3 ALA A 15 -0.386 6.181 -14.293 1.00 1.13 H new ATOM 246 N GLU A 16 0.316 3.083 -13.743 1.00 13.45 N ATOM 247 CA GLU A 16 0.430 1.807 -14.458 1.00 64.30 C ATOM 248 C GLU A 16 0.480 0.614 -13.491 1.00 34.32 C ATOM 249 O GLU A 16 0.060 -0.492 -13.840 1.00 41.02 O ATOM 250 CB GLU A 16 1.673 1.817 -15.357 1.00 21.52 C ATOM 251 CG GLU A 16 1.535 2.691 -16.599 1.00 31.21 C ATOM 252 CD GLU A 16 0.591 2.097 -17.634 1.00 32.04 C ATOM 253 OE1 GLU A 16 -0.630 2.342 -17.549 1.00 40.41 O ATOM 254 OE2 GLU A 16 1.075 1.372 -18.534 1.00 33.30 O ATOM 0 H GLU A 16 1.209 3.533 -13.543 1.00 13.45 H new ATOM 0 HA GLU A 16 -0.461 1.691 -15.076 1.00 64.30 H new ATOM 0 HB2 GLU A 16 2.527 2.164 -14.775 1.00 21.52 H new ATOM 0 HB3 GLU A 16 1.892 0.795 -15.667 1.00 21.52 H new ATOM 0 HG2 GLU A 16 1.173 3.676 -16.306 1.00 31.21 H new ATOM 0 HG3 GLU A 16 2.518 2.833 -17.049 1.00 31.21 H new ATOM 261 N GLN A 17 0.987 0.846 -12.280 1.00 53.41 N ATOM 262 CA GLN A 17 1.093 -0.207 -11.262 1.00 72.51 C ATOM 263 C GLN A 17 -0.275 -0.840 -10.961 1.00 62.14 C ATOM 264 O GLN A 17 -1.226 -0.150 -10.591 1.00 1.35 O ATOM 265 CB GLN A 17 1.711 0.363 -9.975 1.00 32.30 C ATOM 266 CG GLN A 17 3.127 0.901 -10.163 1.00 11.00 C ATOM 267 CD GLN A 17 4.134 -0.181 -10.532 1.00 15.30 C ATOM 268 OE1 GLN A 17 4.012 -1.331 -10.124 1.00 43.31 O ATOM 269 NE2 GLN A 17 5.135 0.179 -11.312 1.00 24.55 N ATOM 0 H GLN A 17 1.333 1.756 -11.976 1.00 53.41 H new ATOM 0 HA GLN A 17 1.742 -0.990 -11.655 1.00 72.51 H new ATOM 0 HB2 GLN A 17 1.074 1.164 -9.600 1.00 32.30 H new ATOM 0 HB3 GLN A 17 1.726 -0.416 -9.213 1.00 32.30 H new ATOM 0 HG2 GLN A 17 3.119 1.663 -10.943 1.00 11.00 H new ATOM 0 HG3 GLN A 17 3.449 1.390 -9.243 1.00 11.00 H new ATOM 0 HE21 GLN A 17 5.209 1.144 -11.635 1.00 24.55 H new ATOM 0 HE22 GLN A 17 5.835 -0.507 -11.592 1.00 24.55 H new ATOM 278 N ASP A 18 -0.364 -2.161 -11.116 1.00 62.40 N ATOM 279 CA ASP A 18 -1.638 -2.878 -10.985 1.00 31.11 C ATOM 280 C ASP A 18 -2.268 -2.719 -9.589 1.00 23.33 C ATOM 281 O ASP A 18 -3.493 -2.708 -9.450 1.00 44.53 O ATOM 282 CB ASP A 18 -1.441 -4.364 -11.315 1.00 61.11 C ATOM 283 CG ASP A 18 -0.844 -4.572 -12.699 1.00 65.41 C ATOM 284 OD1 ASP A 18 -1.411 -4.046 -13.679 1.00 11.33 O ATOM 285 OD2 ASP A 18 0.192 -5.265 -12.809 1.00 62.12 O ATOM 0 H ASP A 18 0.432 -2.760 -11.333 1.00 62.40 H new ATOM 0 HA ASP A 18 -2.333 -2.433 -11.697 1.00 31.11 H new ATOM 0 HB2 ASP A 18 -0.789 -4.817 -10.568 1.00 61.11 H new ATOM 0 HB3 ASP A 18 -2.400 -4.878 -11.254 1.00 61.11 H new ATOM 290 N TRP A 19 -1.432 -2.590 -8.562 1.00 44.11 N ATOM 291 CA TRP A 19 -1.918 -2.436 -7.183 1.00 23.20 C ATOM 292 C TRP A 19 -2.391 -1.000 -6.883 1.00 32.54 C ATOM 293 O TRP A 19 -2.963 -0.741 -5.826 1.00 33.55 O ATOM 294 CB TRP A 19 -0.842 -2.882 -6.175 1.00 61.41 C ATOM 295 CG TRP A 19 0.556 -2.460 -6.533 1.00 35.13 C ATOM 296 CD1 TRP A 19 1.511 -3.232 -7.131 1.00 5.33 C ATOM 297 CD2 TRP A 19 1.159 -1.179 -6.313 1.00 3.33 C ATOM 298 NE1 TRP A 19 2.666 -2.513 -7.295 1.00 25.20 N ATOM 299 CE2 TRP A 19 2.477 -1.250 -6.803 1.00 13.41 C ATOM 300 CE3 TRP A 19 0.714 0.021 -5.753 1.00 11.20 C ATOM 301 CZ2 TRP A 19 3.350 -0.168 -6.747 1.00 21.33 C ATOM 302 CZ3 TRP A 19 1.583 1.093 -5.698 1.00 10.20 C ATOM 303 CH2 TRP A 19 2.888 0.994 -6.192 1.00 62.32 C ATOM 0 H TRP A 19 -0.416 -2.588 -8.653 1.00 44.11 H new ATOM 0 HA TRP A 19 -2.788 -3.083 -7.076 1.00 23.20 H new ATOM 0 HB2 TRP A 19 -1.091 -2.478 -5.194 1.00 61.41 H new ATOM 0 HB3 TRP A 19 -0.870 -3.968 -6.089 1.00 61.41 H new ATOM 0 HD1 TRP A 19 1.375 -4.261 -7.431 1.00 5.33 H new ATOM 0 HE1 TRP A 19 3.527 -2.863 -7.716 1.00 25.20 H new ATOM 0 HE3 TRP A 19 -0.292 0.109 -5.370 1.00 11.20 H new ATOM 0 HZ2 TRP A 19 4.358 -0.243 -7.129 1.00 21.33 H new ATOM 0 HZ3 TRP A 19 1.249 2.025 -5.266 1.00 10.20 H new ATOM 0 HH2 TRP A 19 3.543 1.851 -6.134 1.00 62.32 H new ATOM 314 N TYR A 20 -2.169 -0.070 -7.809 1.00 54.22 N ATOM 315 CA TYR A 20 -2.669 1.303 -7.654 1.00 33.40 C ATOM 316 C TYR A 20 -4.052 1.454 -8.312 1.00 40.12 C ATOM 317 O TYR A 20 -4.220 1.180 -9.499 1.00 13.04 O ATOM 318 CB TYR A 20 -1.684 2.315 -8.257 1.00 70.20 C ATOM 319 CG TYR A 20 -2.149 3.759 -8.124 1.00 21.43 C ATOM 320 CD1 TYR A 20 -2.077 4.424 -6.904 1.00 34.32 C ATOM 321 CD2 TYR A 20 -2.668 4.451 -9.214 1.00 32.32 C ATOM 322 CE1 TYR A 20 -2.506 5.733 -6.775 1.00 74.11 C ATOM 323 CE2 TYR A 20 -3.101 5.758 -9.091 1.00 60.03 C ATOM 324 CZ TYR A 20 -3.017 6.393 -7.870 1.00 51.22 C ATOM 325 OH TYR A 20 -3.452 7.693 -7.744 1.00 64.10 O ATOM 0 H TYR A 20 -1.650 -0.236 -8.671 1.00 54.22 H new ATOM 0 HA TYR A 20 -2.765 1.507 -6.588 1.00 33.40 H new ATOM 0 HB2 TYR A 20 -0.716 2.206 -7.768 1.00 70.20 H new ATOM 0 HB3 TYR A 20 -1.536 2.084 -9.312 1.00 70.20 H new ATOM 0 HD1 TYR A 20 -1.679 3.909 -6.042 1.00 34.32 H new ATOM 0 HD2 TYR A 20 -2.734 3.958 -10.173 1.00 32.32 H new ATOM 0 HE1 TYR A 20 -2.440 6.234 -5.821 1.00 74.11 H new ATOM 0 HE2 TYR A 20 -3.503 6.279 -9.947 1.00 60.03 H new ATOM 0 HH TYR A 20 -3.782 8.013 -8.609 1.00 64.10 H new ATOM 335 N HIS A 21 -5.049 1.892 -7.538 1.00 4.14 N ATOM 336 CA HIS A 21 -6.428 1.987 -8.040 1.00 62.43 C ATOM 337 C HIS A 21 -6.970 3.432 -8.027 1.00 71.32 C ATOM 338 O HIS A 21 -7.801 3.782 -7.193 1.00 60.33 O ATOM 339 CB HIS A 21 -7.350 1.056 -7.238 1.00 44.20 C ATOM 340 CG HIS A 21 -7.061 -0.404 -7.436 1.00 2.24 C ATOM 341 ND1 HIS A 21 -8.001 -1.302 -7.890 1.00 12.25 N ATOM 342 CD2 HIS A 21 -5.934 -1.126 -7.227 1.00 62.11 C ATOM 343 CE1 HIS A 21 -7.469 -2.506 -7.946 1.00 31.45 C ATOM 344 NE2 HIS A 21 -6.214 -2.429 -7.552 1.00 1.23 N ATOM 0 H HIS A 21 -4.932 2.185 -6.568 1.00 4.14 H new ATOM 0 HA HIS A 21 -6.412 1.669 -9.083 1.00 62.43 H new ATOM 0 HB2 HIS A 21 -7.258 1.294 -6.178 1.00 44.20 H new ATOM 0 HB3 HIS A 21 -8.384 1.253 -7.520 1.00 44.20 H new ATOM 0 HD2 HIS A 21 -4.988 -0.746 -6.870 1.00 62.11 H new ATOM 0 HE1 HIS A 21 -7.977 -3.405 -8.262 1.00 31.45 H new ATOM 0 HE2 HIS A 21 -5.559 -3.209 -7.498 1.00 1.23 H new ATOM 353 N GLY A 22 -6.404 4.267 -8.902 1.00 11.54 N ATOM 354 CA GLY A 22 -6.987 5.564 -9.294 1.00 41.25 C ATOM 355 C GLY A 22 -7.840 6.298 -8.249 1.00 1.32 C ATOM 356 O GLY A 22 -8.951 6.738 -8.557 1.00 14.34 O ATOM 0 H GLY A 22 -5.519 4.065 -9.366 1.00 11.54 H new ATOM 0 HA2 GLY A 22 -6.172 6.225 -9.588 1.00 41.25 H new ATOM 0 HA3 GLY A 22 -7.603 5.403 -10.179 1.00 41.25 H new ATOM 360 N ALA A 23 -7.333 6.432 -7.025 1.00 51.42 N ATOM 361 CA ALA A 23 -7.987 7.257 -5.991 1.00 70.41 C ATOM 362 C ALA A 23 -9.437 6.827 -5.690 1.00 12.13 C ATOM 363 O ALA A 23 -10.253 7.644 -5.257 1.00 52.14 O ATOM 364 CB ALA A 23 -7.950 8.724 -6.412 1.00 3.14 C ATOM 0 H ALA A 23 -6.471 5.982 -6.717 1.00 51.42 H new ATOM 0 HA ALA A 23 -7.428 7.112 -5.067 1.00 70.41 H new ATOM 0 HB1 ALA A 23 -8.433 9.334 -5.649 1.00 3.14 H new ATOM 0 HB2 ALA A 23 -6.914 9.043 -6.530 1.00 3.14 H new ATOM 0 HB3 ALA A 23 -8.476 8.844 -7.359 1.00 3.14 H new ATOM 370 N ILE A 24 -9.750 5.552 -5.890 1.00 30.14 N ATOM 371 CA ILE A 24 -11.114 5.046 -5.664 1.00 31.33 C ATOM 372 C ILE A 24 -11.600 5.301 -4.221 1.00 5.54 C ATOM 373 O ILE A 24 -10.790 5.403 -3.295 1.00 21.54 O ATOM 374 CB ILE A 24 -11.210 3.531 -5.977 1.00 21.05 C ATOM 375 CG1 ILE A 24 -10.341 2.711 -5.007 1.00 30.34 C ATOM 376 CG2 ILE A 24 -10.793 3.273 -7.422 1.00 33.14 C ATOM 377 CD1 ILE A 24 -10.463 1.213 -5.196 1.00 41.42 C ATOM 0 H ILE A 24 -9.086 4.846 -6.207 1.00 30.14 H new ATOM 0 HA ILE A 24 -11.761 5.598 -6.346 1.00 31.33 H new ATOM 0 HB ILE A 24 -12.245 3.214 -5.845 1.00 21.05 H new ATOM 0 HG12 ILE A 24 -9.298 3.000 -5.135 1.00 30.34 H new ATOM 0 HG13 ILE A 24 -10.619 2.963 -3.983 1.00 30.34 H new ATOM 0 HG21 ILE A 24 -10.863 2.206 -7.636 1.00 33.14 H new ATOM 0 HG22 ILE A 24 -11.452 3.822 -8.094 1.00 33.14 H new ATOM 0 HG23 ILE A 24 -9.766 3.606 -7.569 1.00 33.14 H new ATOM 0 HD11 ILE A 24 -9.822 0.702 -4.477 1.00 41.42 H new ATOM 0 HD12 ILE A 24 -11.498 0.910 -5.039 1.00 41.42 H new ATOM 0 HD13 ILE A 24 -10.157 0.948 -6.208 1.00 41.42 H new ATOM 389 N PRO A 25 -12.929 5.428 -4.019 1.00 21.44 N ATOM 390 CA PRO A 25 -13.523 5.646 -2.683 1.00 15.31 C ATOM 391 C PRO A 25 -13.029 4.647 -1.618 1.00 33.04 C ATOM 392 O PRO A 25 -12.729 3.489 -1.922 1.00 12.22 O ATOM 393 CB PRO A 25 -15.025 5.462 -2.936 1.00 14.41 C ATOM 394 CG PRO A 25 -15.209 5.850 -4.364 1.00 5.23 C ATOM 395 CD PRO A 25 -13.963 5.388 -5.078 1.00 74.12 C ATOM 0 HA PRO A 25 -13.250 6.621 -2.281 1.00 15.31 H new ATOM 0 HB2 PRO A 25 -15.334 4.432 -2.761 1.00 14.41 H new ATOM 0 HB3 PRO A 25 -15.620 6.091 -2.273 1.00 14.41 H new ATOM 0 HG2 PRO A 25 -16.098 5.381 -4.785 1.00 5.23 H new ATOM 0 HG3 PRO A 25 -15.340 6.928 -4.463 1.00 5.23 H new ATOM 0 HD2 PRO A 25 -14.082 4.384 -5.486 1.00 74.12 H new ATOM 0 HD3 PRO A 25 -13.711 6.043 -5.912 1.00 74.12 H new ATOM 403 N ARG A 26 -12.968 5.100 -0.364 1.00 50.12 N ATOM 404 CA ARG A 26 -12.490 4.267 0.747 1.00 53.34 C ATOM 405 C ARG A 26 -13.280 2.947 0.835 1.00 31.40 C ATOM 406 O ARG A 26 -12.710 1.882 1.095 1.00 23.05 O ATOM 407 CB ARG A 26 -12.595 5.047 2.068 1.00 71.53 C ATOM 408 CG ARG A 26 -12.009 4.316 3.274 1.00 63.53 C ATOM 409 CD ARG A 26 -12.094 5.157 4.549 1.00 4.14 C ATOM 410 NE ARG A 26 -11.335 6.407 4.443 1.00 33.32 N ATOM 411 CZ ARG A 26 -10.624 6.921 5.411 1.00 53.52 C ATOM 412 NH1 ARG A 26 -10.534 6.319 6.553 1.00 44.54 N ATOM 413 NH2 ARG A 26 -9.994 8.034 5.228 1.00 3.11 N ATOM 0 H ARG A 26 -13.244 6.043 -0.090 1.00 50.12 H new ATOM 0 HA ARG A 26 -11.445 4.016 0.563 1.00 53.34 H new ATOM 0 HB2 ARG A 26 -12.085 6.004 1.954 1.00 71.53 H new ATOM 0 HB3 ARG A 26 -13.644 5.267 2.265 1.00 71.53 H new ATOM 0 HG2 ARG A 26 -12.542 3.377 3.423 1.00 63.53 H new ATOM 0 HG3 ARG A 26 -10.968 4.064 3.074 1.00 63.53 H new ATOM 0 HD2 ARG A 26 -13.138 5.386 4.762 1.00 4.14 H new ATOM 0 HD3 ARG A 26 -11.717 4.576 5.391 1.00 4.14 H new ATOM 0 HE ARG A 26 -11.364 6.908 3.555 1.00 33.32 H new ATOM 0 HH11 ARG A 26 -11.021 5.435 6.703 1.00 44.54 H new ATOM 0 HH12 ARG A 26 -9.976 6.728 7.303 1.00 44.54 H new ATOM 0 HH21 ARG A 26 -10.052 8.511 4.328 1.00 3.11 H new ATOM 0 HH22 ARG A 26 -9.439 8.436 5.983 1.00 3.11 H new ATOM 427 N ILE A 27 -14.594 3.026 0.607 1.00 11.34 N ATOM 428 CA ILE A 27 -15.447 1.831 0.562 1.00 34.24 C ATOM 429 C ILE A 27 -14.962 0.841 -0.514 1.00 11.12 C ATOM 430 O ILE A 27 -14.644 -0.307 -0.215 1.00 13.30 O ATOM 431 CB ILE A 27 -16.930 2.201 0.281 1.00 32.12 C ATOM 432 CG1 ILE A 27 -17.472 3.132 1.379 1.00 53.44 C ATOM 433 CG2 ILE A 27 -17.794 0.944 0.165 1.00 34.54 C ATOM 434 CD1 ILE A 27 -18.901 3.588 1.147 1.00 2.32 C ATOM 0 H ILE A 27 -15.091 3.903 0.451 1.00 11.34 H new ATOM 0 HA ILE A 27 -15.379 1.359 1.542 1.00 34.24 H new ATOM 0 HB ILE A 27 -16.973 2.730 -0.671 1.00 32.12 H new ATOM 0 HG12 ILE A 27 -17.416 2.618 2.338 1.00 53.44 H new ATOM 0 HG13 ILE A 27 -16.828 4.009 1.449 1.00 53.44 H new ATOM 0 HG21 ILE A 27 -18.827 1.230 -0.032 1.00 34.54 H new ATOM 0 HG22 ILE A 27 -17.427 0.324 -0.653 1.00 34.54 H new ATOM 0 HG23 ILE A 27 -17.744 0.381 1.097 1.00 34.54 H new ATOM 0 HD11 ILE A 27 -19.212 4.241 1.963 1.00 2.32 H new ATOM 0 HD12 ILE A 27 -18.961 4.132 0.204 1.00 2.32 H new ATOM 0 HD13 ILE A 27 -19.558 2.719 1.107 1.00 2.32 H new ATOM 446 N GLU A 28 -14.877 1.309 -1.759 1.00 63.15 N ATOM 447 CA GLU A 28 -14.451 0.469 -2.890 1.00 4.24 C ATOM 448 C GLU A 28 -13.081 -0.175 -2.635 1.00 23.24 C ATOM 449 O GLU A 28 -12.822 -1.303 -3.059 1.00 23.11 O ATOM 450 CB GLU A 28 -14.391 1.311 -4.171 1.00 42.14 C ATOM 451 CG GLU A 28 -15.711 1.983 -4.529 1.00 14.25 C ATOM 452 CD GLU A 28 -16.808 0.986 -4.860 1.00 12.52 C ATOM 453 OE1 GLU A 28 -16.752 0.373 -5.945 1.00 14.12 O ATOM 454 OE2 GLU A 28 -17.737 0.817 -4.040 1.00 33.24 O ATOM 0 H GLU A 28 -15.098 2.271 -2.016 1.00 63.15 H new ATOM 0 HA GLU A 28 -15.184 -0.330 -3.004 1.00 4.24 H new ATOM 0 HB2 GLU A 28 -13.624 2.077 -4.055 1.00 42.14 H new ATOM 0 HB3 GLU A 28 -14.082 0.673 -4.999 1.00 42.14 H new ATOM 0 HG2 GLU A 28 -16.033 2.608 -3.696 1.00 14.25 H new ATOM 0 HG3 GLU A 28 -15.557 2.644 -5.382 1.00 14.25 H new ATOM 461 N ALA A 29 -12.216 0.551 -1.931 1.00 62.33 N ATOM 462 CA ALA A 29 -10.864 0.073 -1.626 1.00 1.32 C ATOM 463 C ALA A 29 -10.896 -1.131 -0.677 1.00 1.12 C ATOM 464 O ALA A 29 -10.128 -2.080 -0.835 1.00 63.52 O ATOM 465 CB ALA A 29 -10.030 1.204 -1.028 1.00 72.10 C ATOM 0 H ALA A 29 -12.426 1.477 -1.558 1.00 62.33 H new ATOM 0 HA ALA A 29 -10.403 -0.254 -2.558 1.00 1.32 H new ATOM 0 HB1 ALA A 29 -9.028 0.838 -0.805 1.00 72.10 H new ATOM 0 HB2 ALA A 29 -9.966 2.026 -1.742 1.00 72.10 H new ATOM 0 HB3 ALA A 29 -10.500 1.557 -0.110 1.00 72.10 H new ATOM 471 N GLN A 30 -11.790 -1.091 0.307 1.00 31.11 N ATOM 472 CA GLN A 30 -11.920 -2.189 1.272 1.00 73.32 C ATOM 473 C GLN A 30 -12.814 -3.324 0.732 1.00 13.40 C ATOM 474 O GLN A 30 -12.659 -4.484 1.116 1.00 60.52 O ATOM 475 CB GLN A 30 -12.475 -1.676 2.612 1.00 51.10 C ATOM 476 CG GLN A 30 -13.925 -1.211 2.551 1.00 62.02 C ATOM 477 CD GLN A 30 -14.510 -0.924 3.925 1.00 73.11 C ATOM 478 OE1 GLN A 30 -14.080 -1.483 4.927 1.00 71.44 O ATOM 479 NE2 GLN A 30 -15.519 -0.078 3.979 1.00 70.31 N ATOM 0 H GLN A 30 -12.435 -0.316 0.461 1.00 31.11 H new ATOM 0 HA GLN A 30 -10.921 -2.595 1.432 1.00 73.32 H new ATOM 0 HB2 GLN A 30 -12.391 -2.469 3.355 1.00 51.10 H new ATOM 0 HB3 GLN A 30 -11.854 -0.849 2.957 1.00 51.10 H new ATOM 0 HG2 GLN A 30 -13.988 -0.311 1.939 1.00 62.02 H new ATOM 0 HG3 GLN A 30 -14.526 -1.975 2.057 1.00 62.02 H new ATOM 0 HE21 GLN A 30 -15.854 0.371 3.127 1.00 70.31 H new ATOM 0 HE22 GLN A 30 -15.965 0.127 4.873 1.00 70.31 H new ATOM 488 N GLU A 31 -13.756 -2.982 -0.147 1.00 74.01 N ATOM 489 CA GLU A 31 -14.734 -3.951 -0.666 1.00 61.33 C ATOM 490 C GLU A 31 -14.114 -4.989 -1.615 1.00 32.20 C ATOM 491 O GLU A 31 -14.636 -6.098 -1.749 1.00 10.32 O ATOM 492 CB GLU A 31 -15.880 -3.212 -1.366 1.00 2.11 C ATOM 493 CG GLU A 31 -16.752 -2.401 -0.413 1.00 33.24 C ATOM 494 CD GLU A 31 -17.522 -3.271 0.575 1.00 71.05 C ATOM 495 OE1 GLU A 31 -16.930 -3.718 1.587 1.00 44.54 O ATOM 496 OE2 GLU A 31 -18.723 -3.518 0.344 1.00 51.33 O ATOM 0 H GLU A 31 -13.866 -2.039 -0.519 1.00 74.01 H new ATOM 0 HA GLU A 31 -15.115 -4.505 0.192 1.00 61.33 H new ATOM 0 HB2 GLU A 31 -15.464 -2.546 -2.122 1.00 2.11 H new ATOM 0 HB3 GLU A 31 -16.504 -3.937 -1.889 1.00 2.11 H new ATOM 0 HG2 GLU A 31 -16.124 -1.702 0.139 1.00 33.24 H new ATOM 0 HG3 GLU A 31 -17.458 -1.806 -0.992 1.00 33.24 H new ATOM 503 N LEU A 32 -13.023 -4.634 -2.289 1.00 74.31 N ATOM 504 CA LEU A 32 -12.322 -5.591 -3.162 1.00 13.53 C ATOM 505 C LEU A 32 -11.444 -6.549 -2.337 1.00 5.44 C ATOM 506 O LEU A 32 -11.142 -7.668 -2.762 1.00 43.21 O ATOM 507 CB LEU A 32 -11.491 -4.840 -4.226 1.00 33.40 C ATOM 508 CG LEU A 32 -10.314 -3.978 -3.715 1.00 34.45 C ATOM 509 CD1 LEU A 32 -9.056 -4.819 -3.492 1.00 41.23 C ATOM 510 CD2 LEU A 32 -10.032 -2.835 -4.687 1.00 42.42 C ATOM 0 H LEU A 32 -12.604 -3.705 -2.253 1.00 74.31 H new ATOM 0 HA LEU A 32 -13.067 -6.196 -3.680 1.00 13.53 H new ATOM 0 HB2 LEU A 32 -11.094 -5.575 -4.927 1.00 33.40 H new ATOM 0 HB3 LEU A 32 -12.165 -4.194 -4.789 1.00 33.40 H new ATOM 0 HG LEU A 32 -10.602 -3.557 -2.752 1.00 34.45 H new ATOM 0 HD11 LEU A 32 -8.250 -4.179 -3.133 1.00 41.23 H new ATOM 0 HD12 LEU A 32 -9.262 -5.593 -2.753 1.00 41.23 H new ATOM 0 HD13 LEU A 32 -8.759 -5.285 -4.431 1.00 41.23 H new ATOM 0 HD21 LEU A 32 -9.201 -2.237 -4.314 1.00 42.42 H new ATOM 0 HD22 LEU A 32 -9.775 -3.244 -5.664 1.00 42.42 H new ATOM 0 HD23 LEU A 32 -10.919 -2.207 -4.778 1.00 42.42 H new ATOM 522 N LEU A 33 -11.054 -6.096 -1.146 1.00 54.44 N ATOM 523 CA LEU A 33 -10.242 -6.890 -0.217 1.00 53.44 C ATOM 524 C LEU A 33 -11.050 -8.072 0.355 1.00 71.33 C ATOM 525 O LEU A 33 -12.119 -7.871 0.936 1.00 24.11 O ATOM 526 CB LEU A 33 -9.757 -5.976 0.921 1.00 20.54 C ATOM 527 CG LEU A 33 -8.848 -4.810 0.489 1.00 3.21 C ATOM 528 CD1 LEU A 33 -8.480 -3.930 1.679 1.00 22.32 C ATOM 529 CD2 LEU A 33 -7.589 -5.329 -0.199 1.00 73.03 C ATOM 0 H LEU A 33 -11.291 -5.168 -0.795 1.00 54.44 H new ATOM 0 HA LEU A 33 -9.387 -7.303 -0.753 1.00 53.44 H new ATOM 0 HB2 LEU A 33 -10.628 -5.565 1.431 1.00 20.54 H new ATOM 0 HB3 LEU A 33 -9.219 -6.584 1.648 1.00 20.54 H new ATOM 0 HG LEU A 33 -9.405 -4.202 -0.224 1.00 3.21 H new ATOM 0 HD11 LEU A 33 -7.838 -3.115 1.344 1.00 22.32 H new ATOM 0 HD12 LEU A 33 -9.387 -3.519 2.122 1.00 22.32 H new ATOM 0 HD13 LEU A 33 -7.952 -4.526 2.423 1.00 22.32 H new ATOM 0 HD21 LEU A 33 -6.963 -4.487 -0.495 1.00 73.03 H new ATOM 0 HD22 LEU A 33 -7.036 -5.969 0.489 1.00 73.03 H new ATOM 0 HD23 LEU A 33 -7.868 -5.902 -1.083 1.00 73.03 H new ATOM 541 N LYS A 34 -10.540 -9.303 0.201 1.00 3.42 N ATOM 542 CA LYS A 34 -11.297 -10.504 0.610 1.00 11.22 C ATOM 543 C LYS A 34 -10.437 -11.543 1.359 1.00 10.14 C ATOM 544 O LYS A 34 -10.912 -12.173 2.311 1.00 22.32 O ATOM 545 CB LYS A 34 -11.956 -11.150 -0.617 1.00 22.44 C ATOM 546 CG LYS A 34 -10.973 -11.558 -1.712 1.00 51.22 C ATOM 547 CD LYS A 34 -11.686 -12.135 -2.930 1.00 62.11 C ATOM 548 CE LYS A 34 -12.606 -11.112 -3.587 1.00 63.43 C ATOM 549 NZ LYS A 34 -11.864 -9.906 -4.055 1.00 60.05 N ATOM 0 H LYS A 34 -9.621 -9.496 -0.197 1.00 3.42 H new ATOM 0 HA LYS A 34 -12.060 -10.169 1.313 1.00 11.22 H new ATOM 0 HB2 LYS A 34 -12.511 -12.031 -0.296 1.00 22.44 H new ATOM 0 HB3 LYS A 34 -12.681 -10.452 -1.036 1.00 22.44 H new ATOM 0 HG2 LYS A 34 -10.384 -10.691 -2.013 1.00 51.22 H new ATOM 0 HG3 LYS A 34 -10.275 -12.296 -1.317 1.00 51.22 H new ATOM 0 HD2 LYS A 34 -10.947 -12.477 -3.655 1.00 62.11 H new ATOM 0 HD3 LYS A 34 -12.267 -13.007 -2.631 1.00 62.11 H new ATOM 0 HE2 LYS A 34 -13.115 -11.574 -4.433 1.00 63.43 H new ATOM 0 HE3 LYS A 34 -13.376 -10.810 -2.877 1.00 63.43 H new ATOM 0 HZ1 LYS A 34 -12.429 -9.408 -4.772 1.00 60.05 H new ATOM 0 HZ2 LYS A 34 -11.690 -9.272 -3.250 1.00 60.05 H new ATOM 0 HZ3 LYS A 34 -10.956 -10.197 -4.470 1.00 60.05 H new ATOM 563 N LYS A 35 -9.191 -11.744 0.928 1.00 42.11 N ATOM 564 CA LYS A 35 -8.291 -12.710 1.584 1.00 41.41 C ATOM 565 C LYS A 35 -7.090 -12.014 2.237 1.00 4.31 C ATOM 566 O LYS A 35 -6.751 -10.879 1.899 1.00 11.44 O ATOM 567 CB LYS A 35 -7.782 -13.760 0.580 1.00 75.34 C ATOM 568 CG LYS A 35 -7.046 -13.163 -0.617 1.00 34.40 C ATOM 569 CD LYS A 35 -5.980 -14.100 -1.185 1.00 63.42 C ATOM 570 CE LYS A 35 -4.835 -14.311 -0.201 1.00 11.32 C ATOM 571 NZ LYS A 35 -3.723 -15.092 -0.801 1.00 12.23 N ATOM 0 H LYS A 35 -8.778 -11.257 0.133 1.00 42.11 H new ATOM 0 HA LYS A 35 -8.874 -13.204 2.362 1.00 41.41 H new ATOM 0 HB2 LYS A 35 -7.115 -14.450 1.097 1.00 75.34 H new ATOM 0 HB3 LYS A 35 -8.628 -14.344 0.219 1.00 75.34 H new ATOM 0 HG2 LYS A 35 -7.767 -12.924 -1.399 1.00 34.40 H new ATOM 0 HG3 LYS A 35 -6.577 -12.225 -0.319 1.00 34.40 H new ATOM 0 HD2 LYS A 35 -6.432 -15.061 -1.429 1.00 63.42 H new ATOM 0 HD3 LYS A 35 -5.590 -13.686 -2.115 1.00 63.42 H new ATOM 0 HE2 LYS A 35 -4.460 -13.343 0.132 1.00 11.32 H new ATOM 0 HE3 LYS A 35 -5.207 -14.830 0.682 1.00 11.32 H new ATOM 0 HZ1 LYS A 35 -3.129 -15.487 -0.045 1.00 12.23 H new ATOM 0 HZ2 LYS A 35 -4.113 -15.867 -1.375 1.00 12.23 H new ATOM 0 HZ3 LYS A 35 -3.148 -14.470 -1.404 1.00 12.23 H new ATOM 585 N GLN A 36 -6.438 -12.707 3.171 1.00 41.12 N ATOM 586 CA GLN A 36 -5.257 -12.163 3.848 1.00 54.23 C ATOM 587 C GLN A 36 -4.081 -12.024 2.869 1.00 34.11 C ATOM 588 O GLN A 36 -3.481 -13.017 2.447 1.00 63.32 O ATOM 589 CB GLN A 36 -4.866 -13.044 5.047 1.00 72.24 C ATOM 590 CG GLN A 36 -3.525 -12.678 5.684 1.00 43.32 C ATOM 591 CD GLN A 36 -3.287 -13.395 7.005 1.00 63.12 C ATOM 592 OE1 GLN A 36 -2.802 -14.520 7.037 1.00 21.04 O ATOM 593 NE2 GLN A 36 -3.601 -12.741 8.105 1.00 30.33 N ATOM 0 H GLN A 36 -6.705 -13.643 3.476 1.00 41.12 H new ATOM 0 HA GLN A 36 -5.506 -11.169 4.220 1.00 54.23 H new ATOM 0 HB2 GLN A 36 -5.646 -12.974 5.805 1.00 72.24 H new ATOM 0 HB3 GLN A 36 -4.829 -14.084 4.723 1.00 72.24 H new ATOM 0 HG2 GLN A 36 -2.720 -12.924 4.992 1.00 43.32 H new ATOM 0 HG3 GLN A 36 -3.487 -11.601 5.848 1.00 43.32 H new ATOM 0 HE21 GLN A 36 -4.003 -11.806 8.045 1.00 30.33 H new ATOM 0 HE22 GLN A 36 -3.442 -13.170 9.017 1.00 30.33 H new ATOM 602 N GLY A 37 -3.775 -10.787 2.500 1.00 34.42 N ATOM 603 CA GLY A 37 -2.694 -10.528 1.561 1.00 75.25 C ATOM 604 C GLY A 37 -3.041 -9.462 0.529 1.00 60.35 C ATOM 605 O GLY A 37 -2.161 -8.734 0.069 1.00 60.03 O ATOM 0 H GLY A 37 -4.257 -9.953 2.835 1.00 34.42 H new ATOM 0 HA2 GLY A 37 -1.808 -10.215 2.114 1.00 75.25 H new ATOM 0 HA3 GLY A 37 -2.438 -11.454 1.046 1.00 75.25 H new ATOM 609 N ASP A 38 -4.323 -9.381 0.160 1.00 35.24 N ATOM 610 CA ASP A 38 -4.791 -8.379 -0.809 1.00 43.30 C ATOM 611 C ASP A 38 -4.399 -6.961 -0.373 1.00 74.21 C ATOM 612 O ASP A 38 -4.641 -6.565 0.769 1.00 44.34 O ATOM 613 CB ASP A 38 -6.317 -8.450 -0.965 1.00 54.53 C ATOM 614 CG ASP A 38 -6.814 -9.793 -1.465 1.00 64.45 C ATOM 615 OD1 ASP A 38 -6.050 -10.504 -2.150 1.00 64.34 O ATOM 616 OD2 ASP A 38 -7.981 -10.140 -1.177 1.00 33.43 O ATOM 0 H ASP A 38 -5.056 -9.995 0.516 1.00 35.24 H new ATOM 0 HA ASP A 38 -4.315 -8.602 -1.764 1.00 43.30 H new ATOM 0 HB2 ASP A 38 -6.783 -8.235 -0.003 1.00 54.53 H new ATOM 0 HB3 ASP A 38 -6.640 -7.672 -1.657 1.00 54.53 H new ATOM 621 N PHE A 39 -3.801 -6.193 -1.283 1.00 64.33 N ATOM 622 CA PHE A 39 -3.421 -4.814 -0.979 1.00 64.24 C ATOM 623 C PHE A 39 -3.550 -3.903 -2.207 1.00 33.51 C ATOM 624 O PHE A 39 -3.387 -4.345 -3.349 1.00 71.42 O ATOM 625 CB PHE A 39 -1.988 -4.754 -0.426 1.00 22.22 C ATOM 626 CG PHE A 39 -0.910 -5.067 -1.440 1.00 21.21 C ATOM 627 CD1 PHE A 39 -0.540 -6.377 -1.702 1.00 54.21 C ATOM 628 CD2 PHE A 39 -0.266 -4.045 -2.127 1.00 2.30 C ATOM 629 CE1 PHE A 39 0.446 -6.661 -2.628 1.00 40.54 C ATOM 630 CE2 PHE A 39 0.720 -4.325 -3.053 1.00 13.42 C ATOM 631 CZ PHE A 39 1.077 -5.636 -3.304 1.00 71.24 C ATOM 0 H PHE A 39 -3.571 -6.499 -2.229 1.00 64.33 H new ATOM 0 HA PHE A 39 -4.111 -4.450 -0.218 1.00 64.24 H new ATOM 0 HB2 PHE A 39 -1.810 -3.758 -0.021 1.00 22.22 H new ATOM 0 HB3 PHE A 39 -1.903 -5.455 0.404 1.00 22.22 H new ATOM 0 HD1 PHE A 39 -1.028 -7.185 -1.177 1.00 54.21 H new ATOM 0 HD2 PHE A 39 -0.540 -3.018 -1.934 1.00 2.30 H new ATOM 0 HE1 PHE A 39 0.723 -7.686 -2.823 1.00 40.54 H new ATOM 0 HE2 PHE A 39 1.211 -3.520 -3.580 1.00 13.42 H new ATOM 0 HZ PHE A 39 1.848 -5.858 -4.027 1.00 71.24 H new ATOM 641 N LEU A 40 -3.848 -2.630 -1.959 1.00 61.45 N ATOM 642 CA LEU A 40 -3.890 -1.620 -3.021 1.00 25.14 C ATOM 643 C LEU A 40 -3.507 -0.232 -2.490 1.00 12.12 C ATOM 644 O LEU A 40 -3.704 0.070 -1.313 1.00 23.05 O ATOM 645 CB LEU A 40 -5.286 -1.539 -3.663 1.00 20.33 C ATOM 646 CG LEU A 40 -6.403 -0.959 -2.767 1.00 5.43 C ATOM 647 CD1 LEU A 40 -7.545 -0.412 -3.618 1.00 3.03 C ATOM 648 CD2 LEU A 40 -6.923 -2.010 -1.790 1.00 51.14 C ATOM 0 H LEU A 40 -4.065 -2.270 -1.030 1.00 61.45 H new ATOM 0 HA LEU A 40 -3.165 -1.929 -3.774 1.00 25.14 H new ATOM 0 HB2 LEU A 40 -5.216 -0.931 -4.565 1.00 20.33 H new ATOM 0 HB3 LEU A 40 -5.580 -2.541 -3.976 1.00 20.33 H new ATOM 0 HG LEU A 40 -5.977 -0.139 -2.189 1.00 5.43 H new ATOM 0 HD11 LEU A 40 -8.322 -0.008 -2.969 1.00 3.03 H new ATOM 0 HD12 LEU A 40 -7.168 0.378 -4.268 1.00 3.03 H new ATOM 0 HD13 LEU A 40 -7.962 -1.214 -4.226 1.00 3.03 H new ATOM 0 HD21 LEU A 40 -7.708 -1.575 -1.172 1.00 51.14 H new ATOM 0 HD22 LEU A 40 -7.326 -2.856 -2.346 1.00 51.14 H new ATOM 0 HD23 LEU A 40 -6.106 -2.350 -1.153 1.00 51.14 H new ATOM 660 N VAL A 41 -2.960 0.605 -3.367 1.00 61.51 N ATOM 661 CA VAL A 41 -2.678 2.005 -3.040 1.00 11.32 C ATOM 662 C VAL A 41 -3.636 2.935 -3.799 1.00 64.20 C ATOM 663 O VAL A 41 -3.878 2.757 -4.994 1.00 33.01 O ATOM 664 CB VAL A 41 -1.210 2.392 -3.373 1.00 75.03 C ATOM 665 CG1 VAL A 41 -0.941 3.866 -3.060 1.00 64.44 C ATOM 666 CG2 VAL A 41 -0.229 1.493 -2.620 1.00 12.03 C ATOM 0 H VAL A 41 -2.701 0.338 -4.317 1.00 61.51 H new ATOM 0 HA VAL A 41 -2.826 2.121 -1.966 1.00 11.32 H new ATOM 0 HB VAL A 41 -1.061 2.244 -4.443 1.00 75.03 H new ATOM 0 HG11 VAL A 41 0.094 4.107 -3.303 1.00 64.44 H new ATOM 0 HG12 VAL A 41 -1.608 4.492 -3.653 1.00 64.44 H new ATOM 0 HG13 VAL A 41 -1.117 4.051 -2.000 1.00 64.44 H new ATOM 0 HG21 VAL A 41 0.793 1.781 -2.868 1.00 12.03 H new ATOM 0 HG22 VAL A 41 -0.386 1.601 -1.547 1.00 12.03 H new ATOM 0 HG23 VAL A 41 -0.393 0.454 -2.908 1.00 12.03 H new ATOM 676 N ARG A 42 -4.199 3.913 -3.099 1.00 71.43 N ATOM 677 CA ARG A 42 -5.099 4.888 -3.723 1.00 4.12 C ATOM 678 C ARG A 42 -4.714 6.320 -3.329 1.00 73.10 C ATOM 679 O ARG A 42 -4.031 6.534 -2.329 1.00 61.13 O ATOM 680 CB ARG A 42 -6.554 4.620 -3.308 1.00 55.14 C ATOM 681 CG ARG A 42 -6.835 4.934 -1.843 1.00 12.14 C ATOM 682 CD ARG A 42 -8.320 4.874 -1.515 1.00 23.23 C ATOM 683 NE ARG A 42 -8.606 5.496 -0.222 1.00 23.12 N ATOM 684 CZ ARG A 42 -9.550 6.375 -0.022 1.00 23.32 C ATOM 685 NH1 ARG A 42 -10.358 6.709 -0.980 1.00 33.43 N ATOM 686 NH2 ARG A 42 -9.688 6.916 1.140 1.00 3.33 N ATOM 0 H ARG A 42 -4.051 4.056 -2.100 1.00 71.43 H new ATOM 0 HA ARG A 42 -5.006 4.781 -4.804 1.00 4.12 H new ATOM 0 HB2 ARG A 42 -7.218 5.217 -3.933 1.00 55.14 H new ATOM 0 HB3 ARG A 42 -6.791 3.574 -3.499 1.00 55.14 H new ATOM 0 HG2 ARG A 42 -6.297 4.227 -1.212 1.00 12.14 H new ATOM 0 HG3 ARG A 42 -6.453 5.927 -1.606 1.00 12.14 H new ATOM 0 HD2 ARG A 42 -8.888 5.379 -2.297 1.00 23.23 H new ATOM 0 HD3 ARG A 42 -8.650 3.835 -1.502 1.00 23.23 H new ATOM 0 HE ARG A 42 -8.030 5.225 0.575 1.00 23.12 H new ATOM 0 HH11 ARG A 42 -10.260 6.284 -1.902 1.00 33.43 H new ATOM 0 HH12 ARG A 42 -11.092 7.397 -0.812 1.00 33.43 H new ATOM 0 HH21 ARG A 42 -9.060 6.657 1.901 1.00 3.33 H new ATOM 0 HH22 ARG A 42 -10.425 7.603 1.298 1.00 3.33 H new ATOM 700 N GLU A 43 -5.156 7.296 -4.115 1.00 12.01 N ATOM 701 CA GLU A 43 -4.942 8.711 -3.774 1.00 14.33 C ATOM 702 C GLU A 43 -6.174 9.293 -3.050 1.00 62.44 C ATOM 703 O GLU A 43 -7.310 8.915 -3.341 1.00 72.52 O ATOM 704 CB GLU A 43 -4.635 9.522 -5.042 1.00 45.22 C ATOM 705 CG GLU A 43 -4.250 10.975 -4.775 1.00 64.32 C ATOM 706 CD GLU A 43 -4.057 11.771 -6.055 1.00 51.13 C ATOM 707 OE1 GLU A 43 -2.965 11.688 -6.657 1.00 13.34 O ATOM 708 OE2 GLU A 43 -5.001 12.481 -6.471 1.00 61.12 O ATOM 0 H GLU A 43 -5.662 7.142 -4.987 1.00 12.01 H new ATOM 0 HA GLU A 43 -4.088 8.776 -3.099 1.00 14.33 H new ATOM 0 HB2 GLU A 43 -3.823 9.036 -5.583 1.00 45.22 H new ATOM 0 HB3 GLU A 43 -5.509 9.503 -5.693 1.00 45.22 H new ATOM 0 HG2 GLU A 43 -5.024 11.447 -4.171 1.00 64.32 H new ATOM 0 HG3 GLU A 43 -3.330 11.002 -4.192 1.00 64.32 H new ATOM 715 N SER A 44 -5.945 10.200 -2.100 1.00 52.02 N ATOM 716 CA SER A 44 -7.043 10.839 -1.354 1.00 31.43 C ATOM 717 C SER A 44 -7.729 11.934 -2.183 1.00 42.12 C ATOM 718 O SER A 44 -7.084 12.627 -2.970 1.00 74.32 O ATOM 719 CB SER A 44 -6.530 11.451 -0.040 1.00 23.41 C ATOM 720 OG SER A 44 -7.577 12.101 0.670 1.00 71.22 O ATOM 0 H SER A 44 -5.014 10.512 -1.825 1.00 52.02 H new ATOM 0 HA SER A 44 -7.771 10.059 -1.133 1.00 31.43 H new ATOM 0 HB2 SER A 44 -6.096 10.669 0.583 1.00 23.41 H new ATOM 0 HB3 SER A 44 -5.735 12.165 -0.255 1.00 23.41 H new ATOM 0 HG SER A 44 -7.265 12.339 1.568 1.00 71.22 H new ATOM 726 N HIS A 45 -9.040 12.080 -2.001 1.00 42.04 N ATOM 727 CA HIS A 45 -9.800 13.138 -2.674 1.00 22.13 C ATOM 728 C HIS A 45 -9.726 14.457 -1.893 1.00 74.22 C ATOM 729 O HIS A 45 -9.254 15.470 -2.411 1.00 24.10 O ATOM 730 CB HIS A 45 -11.266 12.721 -2.850 1.00 35.44 C ATOM 731 CG HIS A 45 -11.457 11.604 -3.825 1.00 62.45 C ATOM 732 ND1 HIS A 45 -11.464 11.794 -5.187 1.00 45.23 N ATOM 733 CD2 HIS A 45 -11.651 10.277 -3.635 1.00 41.13 C ATOM 734 CE1 HIS A 45 -11.652 10.642 -5.794 1.00 4.31 C ATOM 735 NE2 HIS A 45 -11.768 9.705 -4.878 1.00 70.41 N ATOM 0 H HIS A 45 -9.600 11.481 -1.394 1.00 42.04 H new ATOM 0 HA HIS A 45 -9.352 13.292 -3.656 1.00 22.13 H new ATOM 0 HB2 HIS A 45 -11.668 12.421 -1.883 1.00 35.44 H new ATOM 0 HB3 HIS A 45 -11.843 13.584 -3.181 1.00 35.44 H new ATOM 0 HD2 HIS A 45 -11.704 9.765 -2.685 1.00 41.13 H new ATOM 0 HE1 HIS A 45 -11.702 10.491 -6.862 1.00 4.31 H new ATOM 0 HE2 HIS A 45 -11.920 8.713 -5.061 1.00 70.41 H new ATOM 744 N GLY A 46 -10.194 14.438 -0.645 1.00 45.34 N ATOM 745 CA GLY A 46 -10.180 15.637 0.186 1.00 73.41 C ATOM 746 C GLY A 46 -8.780 16.178 0.464 1.00 53.22 C ATOM 747 O GLY A 46 -8.624 17.351 0.827 1.00 12.30 O ATOM 0 H GLY A 46 -10.584 13.612 -0.192 1.00 45.34 H new ATOM 0 HA2 GLY A 46 -10.769 16.413 -0.303 1.00 73.41 H new ATOM 0 HA3 GLY A 46 -10.669 15.416 1.135 1.00 73.41 H new ATOM 751 N LYS A 47 -7.762 15.332 0.306 1.00 33.34 N ATOM 752 CA LYS A 47 -6.368 15.736 0.526 1.00 21.12 C ATOM 753 C LYS A 47 -5.492 15.414 -0.702 1.00 2.13 C ATOM 754 O LYS A 47 -4.996 14.292 -0.847 1.00 3.34 O ATOM 755 CB LYS A 47 -5.800 15.039 1.775 1.00 74.00 C ATOM 756 CG LYS A 47 -4.393 15.496 2.164 1.00 22.15 C ATOM 757 CD LYS A 47 -4.353 16.965 2.587 1.00 54.14 C ATOM 758 CE LYS A 47 -5.108 17.215 3.893 1.00 62.32 C ATOM 759 NZ LYS A 47 -4.510 16.475 5.037 1.00 42.40 N ATOM 0 H LYS A 47 -7.875 14.358 0.025 1.00 33.34 H new ATOM 0 HA LYS A 47 -6.353 16.815 0.681 1.00 21.12 H new ATOM 0 HB2 LYS A 47 -6.473 15.217 2.614 1.00 74.00 H new ATOM 0 HB3 LYS A 47 -5.785 13.963 1.601 1.00 74.00 H new ATOM 0 HG2 LYS A 47 -4.025 14.875 2.981 1.00 22.15 H new ATOM 0 HG3 LYS A 47 -3.719 15.345 1.321 1.00 22.15 H new ATOM 0 HD2 LYS A 47 -3.316 17.279 2.704 1.00 54.14 H new ATOM 0 HD3 LYS A 47 -4.785 17.580 1.797 1.00 54.14 H new ATOM 0 HE2 LYS A 47 -5.107 18.283 4.113 1.00 62.32 H new ATOM 0 HE3 LYS A 47 -6.149 16.915 3.772 1.00 62.32 H new ATOM 0 HZ1 LYS A 47 -4.917 16.825 5.928 1.00 42.40 H new ATOM 0 HZ2 LYS A 47 -4.713 15.460 4.938 1.00 42.40 H new ATOM 0 HZ3 LYS A 47 -3.481 16.622 5.046 1.00 42.40 H new ATOM 773 N PRO A 48 -5.287 16.395 -1.603 1.00 50.21 N ATOM 774 CA PRO A 48 -4.469 16.200 -2.813 1.00 64.21 C ATOM 775 C PRO A 48 -2.987 15.941 -2.489 1.00 34.42 C ATOM 776 O PRO A 48 -2.257 16.847 -2.080 1.00 13.45 O ATOM 777 CB PRO A 48 -4.643 17.521 -3.582 1.00 42.43 C ATOM 778 CG PRO A 48 -5.026 18.522 -2.542 1.00 35.13 C ATOM 779 CD PRO A 48 -5.832 17.764 -1.519 1.00 1.03 C ATOM 0 HA PRO A 48 -4.783 15.323 -3.380 1.00 64.21 H new ATOM 0 HB2 PRO A 48 -3.721 17.809 -4.087 1.00 42.43 H new ATOM 0 HB3 PRO A 48 -5.413 17.434 -4.349 1.00 42.43 H new ATOM 0 HG2 PRO A 48 -4.143 18.972 -2.089 1.00 35.13 H new ATOM 0 HG3 PRO A 48 -5.610 19.333 -2.977 1.00 35.13 H new ATOM 0 HD2 PRO A 48 -5.712 18.184 -0.520 1.00 1.03 H new ATOM 0 HD3 PRO A 48 -6.897 17.788 -1.748 1.00 1.03 H new ATOM 787 N GLY A 49 -2.556 14.690 -2.646 1.00 61.41 N ATOM 788 CA GLY A 49 -1.167 14.330 -2.368 1.00 72.25 C ATOM 789 C GLY A 49 -1.025 13.224 -1.325 1.00 5.14 C ATOM 790 O GLY A 49 0.046 12.633 -1.186 1.00 53.33 O ATOM 0 H GLY A 49 -3.142 13.916 -2.961 1.00 61.41 H new ATOM 0 HA2 GLY A 49 -0.690 14.009 -3.294 1.00 72.25 H new ATOM 0 HA3 GLY A 49 -0.632 15.215 -2.024 1.00 72.25 H new ATOM 794 N GLU A 50 -2.097 12.946 -0.583 1.00 60.45 N ATOM 795 CA GLU A 50 -2.076 11.881 0.427 1.00 21.41 C ATOM 796 C GLU A 50 -2.449 10.525 -0.189 1.00 74.32 C ATOM 797 O GLU A 50 -3.592 10.303 -0.593 1.00 42.42 O ATOM 798 CB GLU A 50 -3.030 12.212 1.589 1.00 20.35 C ATOM 799 CG GLU A 50 -3.038 11.159 2.700 1.00 2.22 C ATOM 800 CD GLU A 50 -3.942 11.529 3.869 1.00 55.21 C ATOM 801 OE1 GLU A 50 -3.521 12.345 4.720 1.00 1.44 O ATOM 802 OE2 GLU A 50 -5.079 11.007 3.946 1.00 33.24 O ATOM 0 H GLU A 50 -2.987 13.438 -0.659 1.00 60.45 H new ATOM 0 HA GLU A 50 -1.059 11.815 0.815 1.00 21.41 H new ATOM 0 HB2 GLU A 50 -2.748 13.175 2.015 1.00 20.35 H new ATOM 0 HB3 GLU A 50 -4.041 12.321 1.197 1.00 20.35 H new ATOM 0 HG2 GLU A 50 -3.363 10.205 2.285 1.00 2.22 H new ATOM 0 HG3 GLU A 50 -2.021 11.018 3.066 1.00 2.22 H new ATOM 809 N TYR A 51 -1.474 9.626 -0.276 1.00 74.32 N ATOM 810 CA TYR A 51 -1.711 8.268 -0.775 1.00 41.23 C ATOM 811 C TYR A 51 -1.877 7.285 0.390 1.00 31.03 C ATOM 812 O TYR A 51 -1.138 7.344 1.373 1.00 63.45 O ATOM 813 CB TYR A 51 -0.561 7.824 -1.690 1.00 24.21 C ATOM 814 CG TYR A 51 -0.467 8.627 -2.974 1.00 51.21 C ATOM 815 CD1 TYR A 51 0.144 9.877 -2.998 1.00 30.42 C ATOM 816 CD2 TYR A 51 -0.994 8.134 -4.164 1.00 64.14 C ATOM 817 CE1 TYR A 51 0.225 10.611 -4.165 1.00 4.22 C ATOM 818 CE2 TYR A 51 -0.917 8.864 -5.336 1.00 0.34 C ATOM 819 CZ TYR A 51 -0.307 10.102 -5.330 1.00 20.31 C ATOM 820 OH TYR A 51 -0.226 10.834 -6.495 1.00 11.12 O ATOM 0 H TYR A 51 -0.507 9.810 -0.007 1.00 74.32 H new ATOM 0 HA TYR A 51 -2.634 8.273 -1.355 1.00 41.23 H new ATOM 0 HB2 TYR A 51 0.380 7.911 -1.146 1.00 24.21 H new ATOM 0 HB3 TYR A 51 -0.690 6.770 -1.938 1.00 24.21 H new ATOM 0 HD1 TYR A 51 0.562 10.280 -2.088 1.00 30.42 H new ATOM 0 HD2 TYR A 51 -1.471 7.165 -4.172 1.00 64.14 H new ATOM 0 HE1 TYR A 51 0.703 11.579 -4.165 1.00 4.22 H new ATOM 0 HE2 TYR A 51 -1.332 8.468 -6.251 1.00 0.34 H new ATOM 0 HH TYR A 51 -1.106 11.211 -6.707 1.00 11.12 H new ATOM 830 N VAL A 52 -2.854 6.390 0.285 1.00 44.52 N ATOM 831 CA VAL A 52 -3.153 5.445 1.364 1.00 23.04 C ATOM 832 C VAL A 52 -3.091 3.985 0.884 1.00 3.31 C ATOM 833 O VAL A 52 -3.712 3.619 -0.119 1.00 35.52 O ATOM 834 CB VAL A 52 -4.552 5.719 1.976 1.00 14.21 C ATOM 835 CG1 VAL A 52 -4.843 4.757 3.128 1.00 34.42 C ATOM 836 CG2 VAL A 52 -4.666 7.173 2.440 1.00 14.25 C ATOM 0 H VAL A 52 -3.454 6.296 -0.535 1.00 44.52 H new ATOM 0 HA VAL A 52 -2.387 5.594 2.126 1.00 23.04 H new ATOM 0 HB VAL A 52 -5.298 5.550 1.200 1.00 14.21 H new ATOM 0 HG11 VAL A 52 -5.830 4.970 3.540 1.00 34.42 H new ATOM 0 HG12 VAL A 52 -4.817 3.731 2.761 1.00 34.42 H new ATOM 0 HG13 VAL A 52 -4.090 4.883 3.906 1.00 34.42 H new ATOM 0 HG21 VAL A 52 -5.655 7.343 2.866 1.00 14.25 H new ATOM 0 HG22 VAL A 52 -3.906 7.374 3.195 1.00 14.25 H new ATOM 0 HG23 VAL A 52 -4.518 7.839 1.590 1.00 14.25 H new ATOM 846 N LEU A 53 -2.345 3.162 1.617 1.00 30.23 N ATOM 847 CA LEU A 53 -2.278 1.720 1.359 1.00 44.44 C ATOM 848 C LEU A 53 -3.402 0.991 2.111 1.00 21.23 C ATOM 849 O LEU A 53 -3.725 1.336 3.246 1.00 42.01 O ATOM 850 CB LEU A 53 -0.909 1.170 1.804 1.00 54.30 C ATOM 851 CG LEU A 53 -0.708 -0.348 1.639 1.00 3.21 C ATOM 852 CD1 LEU A 53 -0.733 -0.745 0.167 1.00 34.43 C ATOM 853 CD2 LEU A 53 0.597 -0.793 2.299 1.00 50.54 C ATOM 0 H LEU A 53 -1.772 3.470 2.403 1.00 30.23 H new ATOM 0 HA LEU A 53 -2.402 1.550 0.290 1.00 44.44 H new ATOM 0 HB2 LEU A 53 -0.132 1.683 1.238 1.00 54.30 H new ATOM 0 HB3 LEU A 53 -0.761 1.425 2.853 1.00 54.30 H new ATOM 0 HG LEU A 53 -1.534 -0.855 2.137 1.00 3.21 H new ATOM 0 HD11 LEU A 53 -0.589 -1.822 0.078 1.00 34.43 H new ATOM 0 HD12 LEU A 53 -1.694 -0.470 -0.268 1.00 34.43 H new ATOM 0 HD13 LEU A 53 0.066 -0.227 -0.363 1.00 34.43 H new ATOM 0 HD21 LEU A 53 0.721 -1.868 2.172 1.00 50.54 H new ATOM 0 HD22 LEU A 53 1.435 -0.274 1.835 1.00 50.54 H new ATOM 0 HD23 LEU A 53 0.567 -0.555 3.362 1.00 50.54 H new ATOM 865 N SER A 54 -4.006 -0.004 1.472 1.00 1.31 N ATOM 866 CA SER A 54 -5.086 -0.786 2.092 1.00 23.41 C ATOM 867 C SER A 54 -4.850 -2.287 1.905 1.00 4.11 C ATOM 868 O SER A 54 -4.955 -2.803 0.796 1.00 44.21 O ATOM 869 CB SER A 54 -6.444 -0.393 1.494 1.00 41.11 C ATOM 870 OG SER A 54 -6.717 0.989 1.700 1.00 53.40 O ATOM 0 H SER A 54 -3.771 -0.294 0.523 1.00 1.31 H new ATOM 0 HA SER A 54 -5.090 -0.566 3.159 1.00 23.41 H new ATOM 0 HB2 SER A 54 -6.451 -0.613 0.426 1.00 41.11 H new ATOM 0 HB3 SER A 54 -7.232 -0.994 1.948 1.00 41.11 H new ATOM 0 HG SER A 54 -6.713 1.184 2.660 1.00 53.40 H new ATOM 876 N VAL A 55 -4.520 -2.976 2.995 1.00 25.23 N ATOM 877 CA VAL A 55 -4.244 -4.417 2.954 1.00 35.32 C ATOM 878 C VAL A 55 -5.232 -5.200 3.838 1.00 71.14 C ATOM 879 O VAL A 55 -5.694 -4.703 4.865 1.00 34.21 O ATOM 880 CB VAL A 55 -2.787 -4.712 3.400 1.00 43.30 C ATOM 881 CG1 VAL A 55 -2.546 -4.238 4.831 1.00 54.10 C ATOM 882 CG2 VAL A 55 -2.454 -6.199 3.248 1.00 41.24 C ATOM 0 H VAL A 55 -4.436 -2.561 3.923 1.00 25.23 H new ATOM 0 HA VAL A 55 -4.370 -4.745 1.922 1.00 35.32 H new ATOM 0 HB VAL A 55 -2.118 -4.153 2.746 1.00 43.30 H new ATOM 0 HG11 VAL A 55 -1.518 -4.457 5.118 1.00 54.10 H new ATOM 0 HG12 VAL A 55 -2.719 -3.164 4.892 1.00 54.10 H new ATOM 0 HG13 VAL A 55 -3.229 -4.755 5.505 1.00 54.10 H new ATOM 0 HG21 VAL A 55 -1.427 -6.376 3.568 1.00 41.24 H new ATOM 0 HG22 VAL A 55 -3.133 -6.789 3.864 1.00 41.24 H new ATOM 0 HG23 VAL A 55 -2.565 -6.492 2.204 1.00 41.24 H new ATOM 892 N TYR A 56 -5.554 -6.424 3.430 1.00 51.30 N ATOM 893 CA TYR A 56 -6.535 -7.251 4.146 1.00 33.31 C ATOM 894 C TYR A 56 -5.852 -8.327 5.005 1.00 31.41 C ATOM 895 O TYR A 56 -5.120 -9.168 4.488 1.00 1.21 O ATOM 896 CB TYR A 56 -7.471 -7.919 3.132 1.00 61.43 C ATOM 897 CG TYR A 56 -8.730 -8.529 3.727 1.00 34.21 C ATOM 898 CD1 TYR A 56 -8.751 -9.843 4.191 1.00 61.51 C ATOM 899 CD2 TYR A 56 -9.906 -7.792 3.808 1.00 62.43 C ATOM 900 CE1 TYR A 56 -9.904 -10.395 4.712 1.00 23.11 C ATOM 901 CE2 TYR A 56 -11.061 -8.340 4.324 1.00 3.24 C ATOM 902 CZ TYR A 56 -11.054 -9.640 4.775 1.00 63.13 C ATOM 903 OH TYR A 56 -12.210 -10.191 5.282 1.00 74.43 O ATOM 0 H TYR A 56 -5.152 -6.871 2.606 1.00 51.30 H new ATOM 0 HA TYR A 56 -7.103 -6.603 4.813 1.00 33.31 H new ATOM 0 HB2 TYR A 56 -7.761 -7.180 2.385 1.00 61.43 H new ATOM 0 HB3 TYR A 56 -6.919 -8.700 2.609 1.00 61.43 H new ATOM 0 HD1 TYR A 56 -7.851 -10.439 4.142 1.00 61.51 H new ATOM 0 HD2 TYR A 56 -9.915 -6.770 3.460 1.00 62.43 H new ATOM 0 HE1 TYR A 56 -9.904 -11.414 5.069 1.00 23.11 H new ATOM 0 HE2 TYR A 56 -11.966 -7.753 4.374 1.00 3.24 H new ATOM 0 HH TYR A 56 -12.928 -9.525 5.257 1.00 74.43 H new ATOM 913 N SER A 57 -6.088 -8.294 6.318 1.00 71.54 N ATOM 914 CA SER A 57 -5.563 -9.330 7.226 1.00 45.20 C ATOM 915 C SER A 57 -6.508 -9.578 8.414 1.00 3.50 C ATOM 916 O SER A 57 -7.050 -8.631 8.984 1.00 41.02 O ATOM 917 CB SER A 57 -4.176 -8.946 7.753 1.00 60.43 C ATOM 918 OG SER A 57 -3.663 -9.957 8.607 1.00 32.00 O ATOM 0 H SER A 57 -6.636 -7.568 6.780 1.00 71.54 H new ATOM 0 HA SER A 57 -5.487 -10.249 6.645 1.00 45.20 H new ATOM 0 HB2 SER A 57 -3.495 -8.790 6.917 1.00 60.43 H new ATOM 0 HB3 SER A 57 -4.237 -8.002 8.295 1.00 60.43 H new ATOM 0 HG SER A 57 -2.777 -9.693 8.931 1.00 32.00 H new ATOM 924 N ASP A 58 -6.701 -10.853 8.772 1.00 14.41 N ATOM 925 CA ASP A 58 -7.527 -11.236 9.935 1.00 64.32 C ATOM 926 C ASP A 58 -8.993 -10.772 9.761 1.00 31.32 C ATOM 927 O ASP A 58 -9.733 -10.594 10.732 1.00 72.43 O ATOM 928 CB ASP A 58 -6.905 -10.664 11.229 1.00 40.22 C ATOM 929 CG ASP A 58 -7.564 -11.184 12.498 1.00 73.11 C ATOM 930 OD1 ASP A 58 -7.682 -12.421 12.652 1.00 43.11 O ATOM 931 OD2 ASP A 58 -7.956 -10.365 13.358 1.00 61.21 O ATOM 0 H ASP A 58 -6.296 -11.645 8.273 1.00 14.41 H new ATOM 0 HA ASP A 58 -7.544 -12.323 10.008 1.00 64.32 H new ATOM 0 HB2 ASP A 58 -5.843 -10.910 11.253 1.00 40.22 H new ATOM 0 HB3 ASP A 58 -6.979 -9.577 11.209 1.00 40.22 H new ATOM 936 N GLY A 59 -9.415 -10.607 8.508 1.00 13.14 N ATOM 937 CA GLY A 59 -10.756 -10.099 8.219 1.00 53.33 C ATOM 938 C GLY A 59 -10.847 -8.574 8.297 1.00 10.22 C ATOM 939 O GLY A 59 -11.876 -7.980 7.963 1.00 62.20 O ATOM 0 H GLY A 59 -8.853 -10.816 7.683 1.00 13.14 H new ATOM 0 HA2 GLY A 59 -11.055 -10.425 7.223 1.00 53.33 H new ATOM 0 HA3 GLY A 59 -11.464 -10.536 8.923 1.00 53.33 H new ATOM 943 N GLN A 60 -9.763 -7.943 8.740 1.00 73.03 N ATOM 944 CA GLN A 60 -9.706 -6.487 8.906 1.00 41.01 C ATOM 945 C GLN A 60 -9.026 -5.822 7.703 1.00 23.41 C ATOM 946 O GLN A 60 -8.080 -6.369 7.131 1.00 72.02 O ATOM 947 CB GLN A 60 -8.921 -6.140 10.181 1.00 54.55 C ATOM 948 CG GLN A 60 -9.382 -6.900 11.419 1.00 24.03 C ATOM 949 CD GLN A 60 -8.485 -6.659 12.620 1.00 73.11 C ATOM 950 OE1 GLN A 60 -7.293 -6.397 12.483 1.00 42.02 O ATOM 951 NE2 GLN A 60 -9.044 -6.764 13.807 1.00 22.23 N ATOM 0 H GLN A 60 -8.899 -8.422 8.995 1.00 73.03 H new ATOM 0 HA GLN A 60 -10.728 -6.115 8.982 1.00 41.01 H new ATOM 0 HB2 GLN A 60 -7.864 -6.347 10.012 1.00 54.55 H new ATOM 0 HB3 GLN A 60 -9.010 -5.070 10.370 1.00 54.55 H new ATOM 0 HG2 GLN A 60 -10.401 -6.601 11.666 1.00 24.03 H new ATOM 0 HG3 GLN A 60 -9.407 -7.967 11.197 1.00 24.03 H new ATOM 0 HE21 GLN A 60 -10.037 -6.983 13.885 1.00 22.23 H new ATOM 0 HE22 GLN A 60 -8.484 -6.626 14.648 1.00 22.23 H new ATOM 960 N ARG A 61 -9.504 -4.644 7.315 1.00 13.02 N ATOM 961 CA ARG A 61 -8.845 -3.869 6.262 1.00 41.23 C ATOM 962 C ARG A 61 -7.920 -2.808 6.880 1.00 33.55 C ATOM 963 O ARG A 61 -8.372 -1.768 7.359 1.00 0.01 O ATOM 964 CB ARG A 61 -9.881 -3.219 5.328 1.00 11.34 C ATOM 965 CG ARG A 61 -10.686 -4.225 4.496 1.00 41.42 C ATOM 966 CD ARG A 61 -11.781 -4.922 5.300 1.00 10.41 C ATOM 967 NE ARG A 61 -12.858 -4.007 5.667 1.00 2.31 N ATOM 968 CZ ARG A 61 -13.931 -4.359 6.324 1.00 45.21 C ATOM 969 NH1 ARG A 61 -14.093 -5.581 6.728 1.00 54.51 N ATOM 970 NH2 ARG A 61 -14.836 -3.476 6.582 1.00 71.35 N ATOM 0 H ARG A 61 -10.337 -4.206 7.708 1.00 13.02 H new ATOM 0 HA ARG A 61 -8.238 -4.548 5.663 1.00 41.23 H new ATOM 0 HB2 ARG A 61 -10.570 -2.623 5.925 1.00 11.34 H new ATOM 0 HB3 ARG A 61 -9.368 -2.533 4.654 1.00 11.34 H new ATOM 0 HG2 ARG A 61 -11.137 -3.709 3.649 1.00 41.42 H new ATOM 0 HG3 ARG A 61 -10.009 -4.975 4.088 1.00 41.42 H new ATOM 0 HD2 ARG A 61 -12.190 -5.747 4.716 1.00 10.41 H new ATOM 0 HD3 ARG A 61 -11.349 -5.354 6.203 1.00 10.41 H new ATOM 0 HE ARG A 61 -12.767 -3.029 5.392 1.00 2.31 H new ATOM 0 HH11 ARG A 61 -13.377 -6.281 6.534 1.00 54.51 H new ATOM 0 HH12 ARG A 61 -14.936 -5.841 7.240 1.00 54.51 H new ATOM 0 HH21 ARG A 61 -14.711 -2.512 6.273 1.00 71.35 H new ATOM 0 HH22 ARG A 61 -15.677 -3.742 7.094 1.00 71.35 H new ATOM 984 N ARG A 62 -6.619 -3.087 6.860 1.00 11.13 N ATOM 985 CA ARG A 62 -5.614 -2.221 7.483 1.00 52.23 C ATOM 986 C ARG A 62 -5.149 -1.126 6.513 1.00 75.13 C ATOM 987 O ARG A 62 -4.698 -1.416 5.403 1.00 44.23 O ATOM 988 CB ARG A 62 -4.417 -3.074 7.938 1.00 70.43 C ATOM 989 CG ARG A 62 -4.810 -4.222 8.872 1.00 23.43 C ATOM 990 CD ARG A 62 -5.213 -3.729 10.264 1.00 24.02 C ATOM 991 NE ARG A 62 -4.069 -3.655 11.179 1.00 60.52 N ATOM 992 CZ ARG A 62 -3.753 -2.608 11.894 1.00 70.33 C ATOM 993 NH1 ARG A 62 -4.381 -1.488 11.746 1.00 1.04 N ATOM 994 NH2 ARG A 62 -2.783 -2.687 12.750 1.00 63.52 N ATOM 0 H ARG A 62 -6.230 -3.917 6.413 1.00 11.13 H new ATOM 0 HA ARG A 62 -6.063 -1.731 8.347 1.00 52.23 H new ATOM 0 HB2 ARG A 62 -3.918 -3.484 7.060 1.00 70.43 H new ATOM 0 HB3 ARG A 62 -3.695 -2.433 8.445 1.00 70.43 H new ATOM 0 HG2 ARG A 62 -5.638 -4.777 8.432 1.00 23.43 H new ATOM 0 HG3 ARG A 62 -3.974 -4.915 8.963 1.00 23.43 H new ATOM 0 HD2 ARG A 62 -5.673 -2.744 10.180 1.00 24.02 H new ATOM 0 HD3 ARG A 62 -5.966 -4.398 10.680 1.00 24.02 H new ATOM 0 HE ARG A 62 -3.477 -4.481 11.263 1.00 60.52 H new ATOM 0 HH11 ARG A 62 -5.135 -1.413 11.063 1.00 1.04 H new ATOM 0 HH12 ARG A 62 -4.122 -0.680 12.312 1.00 1.04 H new ATOM 0 HH21 ARG A 62 -2.272 -3.562 12.862 1.00 63.52 H new ATOM 0 HH22 ARG A 62 -2.531 -1.874 13.312 1.00 63.52 H new ATOM 1008 N HIS A 63 -5.270 0.130 6.928 1.00 25.21 N ATOM 1009 CA HIS A 63 -4.896 1.264 6.080 1.00 41.10 C ATOM 1010 C HIS A 63 -3.627 1.960 6.593 1.00 45.13 C ATOM 1011 O HIS A 63 -3.555 2.373 7.752 1.00 50.40 O ATOM 1012 CB HIS A 63 -6.054 2.265 6.006 1.00 71.51 C ATOM 1013 CG HIS A 63 -7.346 1.643 5.566 1.00 71.24 C ATOM 1014 ND1 HIS A 63 -7.610 1.296 4.258 1.00 42.44 N ATOM 1015 CD2 HIS A 63 -8.448 1.294 6.272 1.00 3.40 C ATOM 1016 CE1 HIS A 63 -8.813 0.765 4.178 1.00 1.54 C ATOM 1017 NE2 HIS A 63 -9.343 0.749 5.381 1.00 3.40 N ATOM 0 H HIS A 63 -5.624 0.393 7.848 1.00 25.21 H new ATOM 0 HA HIS A 63 -4.683 0.881 5.082 1.00 41.10 H new ATOM 0 HB2 HIS A 63 -6.194 2.722 6.986 1.00 71.51 H new ATOM 0 HB3 HIS A 63 -5.790 3.066 5.315 1.00 71.51 H new ATOM 0 HD2 HIS A 63 -8.596 1.420 7.334 1.00 3.40 H new ATOM 0 HE1 HIS A 63 -9.284 0.404 3.276 1.00 1.54 H new ATOM 0 HE2 HIS A 63 -10.269 0.390 5.616 1.00 3.40 H new ATOM 1026 N PHE A 64 -2.626 2.077 5.725 1.00 1.24 N ATOM 1027 CA PHE A 64 -1.367 2.746 6.069 1.00 55.13 C ATOM 1028 C PHE A 64 -1.180 4.010 5.220 1.00 22.24 C ATOM 1029 O PHE A 64 -1.061 3.935 3.999 1.00 72.35 O ATOM 1030 CB PHE A 64 -0.185 1.790 5.863 1.00 62.33 C ATOM 1031 CG PHE A 64 -0.297 0.513 6.657 1.00 10.21 C ATOM 1032 CD1 PHE A 64 -0.098 0.513 8.029 1.00 63.30 C ATOM 1033 CD2 PHE A 64 -0.612 -0.684 6.031 1.00 73.15 C ATOM 1034 CE1 PHE A 64 -0.205 -0.653 8.758 1.00 41.12 C ATOM 1035 CE2 PHE A 64 -0.719 -1.853 6.756 1.00 54.11 C ATOM 1036 CZ PHE A 64 -0.515 -1.838 8.120 1.00 73.34 C ATOM 0 H PHE A 64 -2.660 1.716 4.772 1.00 1.24 H new ATOM 0 HA PHE A 64 -1.406 3.037 7.119 1.00 55.13 H new ATOM 0 HB2 PHE A 64 -0.108 1.544 4.804 1.00 62.33 H new ATOM 0 HB3 PHE A 64 0.737 2.301 6.140 1.00 62.33 H new ATOM 0 HD1 PHE A 64 0.144 1.437 8.533 1.00 63.30 H new ATOM 0 HD2 PHE A 64 -0.775 -0.701 4.964 1.00 73.15 H new ATOM 0 HE1 PHE A 64 -0.047 -0.639 9.826 1.00 41.12 H new ATOM 0 HE2 PHE A 64 -0.962 -2.779 6.256 1.00 54.11 H new ATOM 0 HZ PHE A 64 -0.598 -2.752 8.689 1.00 73.34 H new ATOM 1046 N ILE A 65 -1.170 5.170 5.871 1.00 23.20 N ATOM 1047 CA ILE A 65 -1.028 6.448 5.168 1.00 63.34 C ATOM 1048 C ILE A 65 0.436 6.722 4.791 1.00 30.22 C ATOM 1049 O ILE A 65 1.336 6.587 5.619 1.00 25.22 O ATOM 1050 CB ILE A 65 -1.567 7.627 6.023 1.00 51.23 C ATOM 1051 CG1 ILE A 65 -3.049 7.400 6.368 1.00 34.52 C ATOM 1052 CG2 ILE A 65 -1.373 8.958 5.291 1.00 22.32 C ATOM 1053 CD1 ILE A 65 -3.663 8.499 7.212 1.00 42.43 C ATOM 0 H ILE A 65 -1.258 5.255 6.884 1.00 23.20 H new ATOM 0 HA ILE A 65 -1.620 6.372 4.256 1.00 63.34 H new ATOM 0 HB ILE A 65 -1.001 7.670 6.953 1.00 51.23 H new ATOM 0 HG12 ILE A 65 -3.617 7.308 5.442 1.00 34.52 H new ATOM 0 HG13 ILE A 65 -3.147 6.452 6.898 1.00 34.52 H new ATOM 0 HG21 ILE A 65 -1.757 9.771 5.907 1.00 22.32 H new ATOM 0 HG22 ILE A 65 -0.312 9.117 5.101 1.00 22.32 H new ATOM 0 HG23 ILE A 65 -1.912 8.934 4.344 1.00 22.32 H new ATOM 0 HD11 ILE A 65 -4.708 8.264 7.411 1.00 42.43 H new ATOM 0 HD12 ILE A 65 -3.123 8.578 8.155 1.00 42.43 H new ATOM 0 HD13 ILE A 65 -3.600 9.447 6.677 1.00 42.43 H new ATOM 1065 N ILE A 66 0.662 7.097 3.534 1.00 45.23 N ATOM 1066 CA ILE A 66 2.003 7.435 3.047 1.00 14.31 C ATOM 1067 C ILE A 66 2.301 8.930 3.232 1.00 1.45 C ATOM 1068 O ILE A 66 1.549 9.782 2.754 1.00 40.22 O ATOM 1069 CB ILE A 66 2.162 7.082 1.544 1.00 55.03 C ATOM 1070 CG1 ILE A 66 1.823 5.605 1.295 1.00 4.12 C ATOM 1071 CG2 ILE A 66 3.577 7.403 1.063 1.00 21.32 C ATOM 1072 CD1 ILE A 66 1.940 5.182 -0.157 1.00 13.51 C ATOM 0 H ILE A 66 -0.070 7.176 2.828 1.00 45.23 H new ATOM 0 HA ILE A 66 2.708 6.847 3.635 1.00 14.31 H new ATOM 0 HB ILE A 66 1.462 7.691 0.973 1.00 55.03 H new ATOM 0 HG12 ILE A 66 2.485 4.984 1.898 1.00 4.12 H new ATOM 0 HG13 ILE A 66 0.806 5.413 1.638 1.00 4.12 H new ATOM 0 HG21 ILE A 66 3.669 7.149 0.007 1.00 21.32 H new ATOM 0 HG22 ILE A 66 3.775 8.466 1.199 1.00 21.32 H new ATOM 0 HG23 ILE A 66 4.298 6.823 1.640 1.00 21.32 H new ATOM 0 HD11 ILE A 66 1.685 4.126 -0.250 1.00 13.51 H new ATOM 0 HD12 ILE A 66 1.257 5.776 -0.765 1.00 13.51 H new ATOM 0 HD13 ILE A 66 2.962 5.340 -0.501 1.00 13.51 H new ATOM 1084 N GLN A 67 3.383 9.251 3.936 1.00 65.34 N ATOM 1085 CA GLN A 67 3.840 10.637 4.064 1.00 53.21 C ATOM 1086 C GLN A 67 5.017 10.906 3.115 1.00 2.03 C ATOM 1087 O GLN A 67 6.048 10.232 3.185 1.00 15.41 O ATOM 1088 CB GLN A 67 4.266 10.953 5.509 1.00 21.31 C ATOM 1089 CG GLN A 67 3.215 10.624 6.569 1.00 22.01 C ATOM 1090 CD GLN A 67 3.167 9.144 6.913 1.00 60.23 C ATOM 1091 OE1 GLN A 67 4.178 8.453 6.875 1.00 23.43 O ATOM 1092 NE2 GLN A 67 1.995 8.647 7.248 1.00 53.44 N ATOM 0 H GLN A 67 3.962 8.571 4.428 1.00 65.34 H new ATOM 0 HA GLN A 67 3.004 11.284 3.797 1.00 53.21 H new ATOM 0 HB2 GLN A 67 5.177 10.398 5.735 1.00 21.31 H new ATOM 0 HB3 GLN A 67 4.513 12.012 5.578 1.00 21.31 H new ATOM 0 HG2 GLN A 67 3.426 11.196 7.473 1.00 22.01 H new ATOM 0 HG3 GLN A 67 2.235 10.941 6.213 1.00 22.01 H new ATOM 0 HE21 GLN A 67 1.173 9.250 7.270 1.00 53.44 H new ATOM 0 HE22 GLN A 67 1.909 7.659 7.486 1.00 53.44 H new ATOM 1101 N TYR A 68 4.857 11.876 2.221 1.00 33.24 N ATOM 1102 CA TYR A 68 5.936 12.268 1.309 1.00 14.22 C ATOM 1103 C TYR A 68 6.850 13.312 1.972 1.00 53.25 C ATOM 1104 O TYR A 68 6.536 14.501 1.997 1.00 10.01 O ATOM 1105 CB TYR A 68 5.341 12.815 -0.001 1.00 43.34 C ATOM 1106 CG TYR A 68 6.376 13.274 -1.014 1.00 11.34 C ATOM 1107 CD1 TYR A 68 7.312 12.387 -1.535 1.00 63.53 C ATOM 1108 CD2 TYR A 68 6.408 14.593 -1.458 1.00 1.42 C ATOM 1109 CE1 TYR A 68 8.247 12.799 -2.463 1.00 63.54 C ATOM 1110 CE2 TYR A 68 7.344 15.011 -2.386 1.00 2.03 C ATOM 1111 CZ TYR A 68 8.261 14.111 -2.886 1.00 41.14 C ATOM 1112 OH TYR A 68 9.194 14.522 -3.815 1.00 72.13 O ATOM 0 H TYR A 68 3.994 12.407 2.105 1.00 33.24 H new ATOM 0 HA TYR A 68 6.540 11.391 1.078 1.00 14.22 H new ATOM 0 HB2 TYR A 68 4.722 12.042 -0.456 1.00 43.34 H new ATOM 0 HB3 TYR A 68 4.683 13.652 0.234 1.00 43.34 H new ATOM 0 HD1 TYR A 68 7.307 11.358 -1.208 1.00 63.53 H new ATOM 0 HD2 TYR A 68 5.690 15.301 -1.071 1.00 1.42 H new ATOM 0 HE1 TYR A 68 8.966 12.095 -2.857 1.00 63.54 H new ATOM 0 HE2 TYR A 68 7.357 16.039 -2.718 1.00 2.03 H new ATOM 0 HH TYR A 68 9.067 15.475 -4.006 1.00 72.13 H new ATOM 1122 N VAL A 69 7.974 12.851 2.528 1.00 45.04 N ATOM 1123 CA VAL A 69 8.908 13.727 3.254 1.00 21.32 C ATOM 1124 C VAL A 69 10.361 13.482 2.806 1.00 0.33 C ATOM 1125 O VAL A 69 10.752 12.343 2.557 1.00 43.34 O ATOM 1126 CB VAL A 69 8.807 13.499 4.790 1.00 15.44 C ATOM 1127 CG1 VAL A 69 9.653 14.514 5.554 1.00 23.31 C ATOM 1128 CG2 VAL A 69 7.351 13.541 5.261 1.00 10.24 C ATOM 0 H VAL A 69 8.263 11.873 2.491 1.00 45.04 H new ATOM 0 HA VAL A 69 8.629 14.755 3.022 1.00 21.32 H new ATOM 0 HB VAL A 69 9.200 12.505 5.002 1.00 15.44 H new ATOM 0 HG11 VAL A 69 9.563 14.330 6.625 1.00 23.31 H new ATOM 0 HG12 VAL A 69 10.697 14.416 5.256 1.00 23.31 H new ATOM 0 HG13 VAL A 69 9.304 15.522 5.328 1.00 23.31 H new ATOM 0 HG21 VAL A 69 7.312 13.379 6.338 1.00 10.24 H new ATOM 0 HG22 VAL A 69 6.920 14.514 5.025 1.00 10.24 H new ATOM 0 HG23 VAL A 69 6.782 12.760 4.756 1.00 10.24 H new ATOM 1138 N ASP A 70 11.150 14.555 2.698 1.00 10.01 N ATOM 1139 CA ASP A 70 12.552 14.463 2.253 1.00 32.12 C ATOM 1140 C ASP A 70 12.667 13.803 0.862 1.00 21.51 C ATOM 1141 O ASP A 70 13.675 13.167 0.548 1.00 43.12 O ATOM 1142 CB ASP A 70 13.396 13.682 3.277 1.00 2.54 C ATOM 1143 CG ASP A 70 13.414 14.342 4.646 1.00 71.20 C ATOM 1144 OD1 ASP A 70 14.007 15.434 4.779 1.00 64.44 O ATOM 1145 OD2 ASP A 70 12.849 13.771 5.597 1.00 30.24 O ATOM 0 H ASP A 70 10.844 15.504 2.913 1.00 10.01 H new ATOM 0 HA ASP A 70 12.935 15.480 2.176 1.00 32.12 H new ATOM 0 HB2 ASP A 70 13.002 12.670 3.371 1.00 2.54 H new ATOM 0 HB3 ASP A 70 14.418 13.593 2.907 1.00 2.54 H new ATOM 1150 N ASN A 71 11.638 13.994 0.026 1.00 12.11 N ATOM 1151 CA ASN A 71 11.562 13.376 -1.313 1.00 13.00 C ATOM 1152 C ASN A 71 11.381 11.850 -1.234 1.00 31.11 C ATOM 1153 O ASN A 71 11.497 11.147 -2.241 1.00 72.04 O ATOM 1154 CB ASN A 71 12.802 13.715 -2.152 1.00 21.03 C ATOM 1155 CG ASN A 71 12.984 15.209 -2.336 1.00 1.40 C ATOM 1156 OD1 ASN A 71 12.466 15.801 -3.274 1.00 64.21 O ATOM 1157 ND2 ASN A 71 13.731 15.828 -1.444 1.00 74.53 N ATOM 0 H ASN A 71 10.834 14.579 0.254 1.00 12.11 H new ATOM 0 HA ASN A 71 10.682 13.794 -1.801 1.00 13.00 H new ATOM 0 HB2 ASN A 71 13.688 13.300 -1.671 1.00 21.03 H new ATOM 0 HB3 ASN A 71 12.718 13.239 -3.129 1.00 21.03 H new ATOM 0 HD21 ASN A 71 13.893 16.832 -1.523 1.00 74.53 H new ATOM 0 HD22 ASN A 71 14.147 15.303 -0.675 1.00 74.53 H new ATOM 1164 N MET A 72 11.079 11.347 -0.037 1.00 30.53 N ATOM 1165 CA MET A 72 10.892 9.910 0.193 1.00 23.30 C ATOM 1166 C MET A 72 9.464 9.602 0.683 1.00 15.14 C ATOM 1167 O MET A 72 8.942 10.267 1.579 1.00 75.42 O ATOM 1168 CB MET A 72 11.912 9.404 1.229 1.00 52.51 C ATOM 1169 CG MET A 72 13.366 9.649 0.841 1.00 21.24 C ATOM 1170 SD MET A 72 14.527 9.083 2.103 1.00 4.14 S ATOM 1171 CE MET A 72 16.096 9.486 1.331 1.00 71.43 C ATOM 0 H MET A 72 10.957 11.919 0.799 1.00 30.53 H new ATOM 0 HA MET A 72 11.048 9.397 -0.756 1.00 23.30 H new ATOM 0 HB2 MET A 72 11.715 9.890 2.184 1.00 52.51 H new ATOM 0 HB3 MET A 72 11.762 8.335 1.379 1.00 52.51 H new ATOM 0 HG2 MET A 72 13.579 9.138 -0.098 1.00 21.24 H new ATOM 0 HG3 MET A 72 13.517 10.714 0.666 1.00 21.24 H new ATOM 0 HE1 MET A 72 16.912 9.195 1.992 1.00 71.43 H new ATOM 0 HE2 MET A 72 16.185 8.950 0.386 1.00 71.43 H new ATOM 0 HE3 MET A 72 16.145 10.559 1.145 1.00 71.43 H new ATOM 1181 N TYR A 73 8.837 8.598 0.079 1.00 72.02 N ATOM 1182 CA TYR A 73 7.527 8.112 0.523 1.00 70.13 C ATOM 1183 C TYR A 73 7.688 7.100 1.669 1.00 4.34 C ATOM 1184 O TYR A 73 8.296 6.040 1.494 1.00 11.01 O ATOM 1185 CB TYR A 73 6.777 7.459 -0.646 1.00 23.32 C ATOM 1186 CG TYR A 73 6.486 8.409 -1.797 1.00 2.33 C ATOM 1187 CD1 TYR A 73 5.353 9.217 -1.790 1.00 65.31 C ATOM 1188 CD2 TYR A 73 7.340 8.489 -2.892 1.00 61.12 C ATOM 1189 CE1 TYR A 73 5.082 10.076 -2.840 1.00 41.44 C ATOM 1190 CE2 TYR A 73 7.074 9.343 -3.945 1.00 1.23 C ATOM 1191 CZ TYR A 73 5.946 10.133 -3.915 1.00 72.52 C ATOM 1192 OH TYR A 73 5.679 10.981 -4.968 1.00 13.24 O ATOM 0 H TYR A 73 9.215 8.099 -0.726 1.00 72.02 H new ATOM 0 HA TYR A 73 6.950 8.963 0.884 1.00 70.13 H new ATOM 0 HB2 TYR A 73 7.365 6.620 -1.019 1.00 23.32 H new ATOM 0 HB3 TYR A 73 5.836 7.050 -0.278 1.00 23.32 H new ATOM 0 HD1 TYR A 73 4.674 9.173 -0.951 1.00 65.31 H new ATOM 0 HD2 TYR A 73 8.227 7.873 -2.920 1.00 61.12 H new ATOM 0 HE1 TYR A 73 4.200 10.698 -2.819 1.00 41.44 H new ATOM 0 HE2 TYR A 73 7.748 9.391 -4.788 1.00 1.23 H new ATOM 0 HH TYR A 73 6.387 10.900 -5.641 1.00 13.24 H new ATOM 1202 N ARG A 74 7.137 7.431 2.835 1.00 65.44 N ATOM 1203 CA ARG A 74 7.284 6.596 4.034 1.00 11.12 C ATOM 1204 C ARG A 74 5.929 6.294 4.696 1.00 2.10 C ATOM 1205 O ARG A 74 4.992 7.077 4.592 1.00 22.21 O ATOM 1206 CB ARG A 74 8.218 7.299 5.037 1.00 3.12 C ATOM 1207 CG ARG A 74 7.837 8.754 5.305 1.00 24.14 C ATOM 1208 CD ARG A 74 8.863 9.468 6.182 1.00 10.50 C ATOM 1209 NE ARG A 74 8.871 8.962 7.558 1.00 3.30 N ATOM 1210 CZ ARG A 74 9.917 8.985 8.341 1.00 61.04 C ATOM 1211 NH1 ARG A 74 11.053 9.435 7.914 1.00 64.32 N ATOM 1212 NH2 ARG A 74 9.826 8.561 9.557 1.00 75.44 N ATOM 0 H ARG A 74 6.582 8.274 2.979 1.00 65.44 H new ATOM 0 HA ARG A 74 7.715 5.643 3.729 1.00 11.12 H new ATOM 0 HB2 ARG A 74 8.208 6.749 5.978 1.00 3.12 H new ATOM 0 HB3 ARG A 74 9.239 7.263 4.658 1.00 3.12 H new ATOM 0 HG2 ARG A 74 7.741 9.283 4.357 1.00 24.14 H new ATOM 0 HG3 ARG A 74 6.861 8.789 5.789 1.00 24.14 H new ATOM 0 HD2 ARG A 74 9.855 9.347 5.748 1.00 10.50 H new ATOM 0 HD3 ARG A 74 8.648 10.536 6.192 1.00 10.50 H new ATOM 0 HE ARG A 74 8.006 8.567 7.927 1.00 3.30 H new ATOM 0 HH11 ARG A 74 11.139 9.777 6.957 1.00 64.32 H new ATOM 0 HH12 ARG A 74 11.862 9.448 8.535 1.00 64.32 H new ATOM 0 HH21 ARG A 74 8.936 8.207 9.908 1.00 75.44 H new ATOM 0 HH22 ARG A 74 10.644 8.580 10.166 1.00 75.44 H new ATOM 1226 N PHE A 75 5.835 5.142 5.361 1.00 71.15 N ATOM 1227 CA PHE A 75 4.636 4.781 6.138 1.00 63.44 C ATOM 1228 C PHE A 75 4.805 5.148 7.621 1.00 35.54 C ATOM 1229 O PHE A 75 3.870 5.613 8.274 1.00 40.24 O ATOM 1230 CB PHE A 75 4.347 3.277 6.029 1.00 25.42 C ATOM 1231 CG PHE A 75 3.878 2.822 4.670 1.00 62.20 C ATOM 1232 CD1 PHE A 75 2.610 3.157 4.217 1.00 74.22 C ATOM 1233 CD2 PHE A 75 4.692 2.046 3.854 1.00 45.11 C ATOM 1234 CE1 PHE A 75 2.164 2.730 2.982 1.00 13.22 C ATOM 1235 CE2 PHE A 75 4.247 1.619 2.614 1.00 31.15 C ATOM 1236 CZ PHE A 75 2.983 1.962 2.179 1.00 32.33 C ATOM 0 H PHE A 75 6.573 4.438 5.381 1.00 71.15 H new ATOM 0 HA PHE A 75 3.801 5.344 5.722 1.00 63.44 H new ATOM 0 HB2 PHE A 75 5.252 2.727 6.289 1.00 25.42 H new ATOM 0 HB3 PHE A 75 3.590 3.012 6.767 1.00 25.42 H new ATOM 0 HD1 PHE A 75 1.964 3.759 4.838 1.00 74.22 H new ATOM 0 HD2 PHE A 75 5.681 1.773 4.190 1.00 45.11 H new ATOM 0 HE1 PHE A 75 1.174 2.997 2.644 1.00 13.22 H new ATOM 0 HE2 PHE A 75 4.889 1.018 1.987 1.00 31.15 H new ATOM 0 HZ PHE A 75 2.635 1.630 1.212 1.00 32.33 H new ATOM 1246 N GLU A 76 6.007 4.910 8.142 1.00 64.23 N ATOM 1247 CA GLU A 76 6.318 5.166 9.554 1.00 60.54 C ATOM 1248 C GLU A 76 7.771 5.640 9.699 1.00 34.42 C ATOM 1249 O GLU A 76 8.028 6.761 10.135 1.00 21.14 O ATOM 1250 CB GLU A 76 6.059 3.888 10.381 1.00 32.02 C ATOM 1251 CG GLU A 76 6.213 4.035 11.901 1.00 40.24 C ATOM 1252 CD GLU A 76 7.657 3.962 12.386 1.00 53.14 C ATOM 1253 OE1 GLU A 76 8.385 3.036 11.966 1.00 31.40 O ATOM 1254 OE2 GLU A 76 8.061 4.811 13.212 1.00 31.43 O ATOM 0 H GLU A 76 6.790 4.537 7.605 1.00 64.23 H new ATOM 0 HA GLU A 76 5.671 5.957 9.932 1.00 60.54 H new ATOM 0 HB2 GLU A 76 5.048 3.539 10.169 1.00 32.02 H new ATOM 0 HB3 GLU A 76 6.743 3.111 10.039 1.00 32.02 H new ATOM 0 HG2 GLU A 76 5.784 4.989 12.209 1.00 40.24 H new ATOM 0 HG3 GLU A 76 5.635 3.252 12.392 1.00 40.24 H new ATOM 1261 N GLY A 77 8.718 4.778 9.325 1.00 42.31 N ATOM 1262 CA GLY A 77 10.135 5.143 9.343 1.00 74.34 C ATOM 1263 C GLY A 77 10.819 4.924 7.995 1.00 62.14 C ATOM 1264 O GLY A 77 11.173 5.880 7.307 1.00 52.34 O ATOM 0 H GLY A 77 8.531 3.827 9.007 1.00 42.31 H new ATOM 0 HA2 GLY A 77 10.232 6.190 9.629 1.00 74.34 H new ATOM 0 HA3 GLY A 77 10.647 4.556 10.105 1.00 74.34 H new ATOM 1268 N THR A 78 11.002 3.656 7.615 1.00 23.30 N ATOM 1269 CA THR A 78 11.627 3.306 6.328 1.00 11.43 C ATOM 1270 C THR A 78 10.847 3.883 5.136 1.00 11.43 C ATOM 1271 O THR A 78 9.652 3.624 4.976 1.00 25.13 O ATOM 1272 CB THR A 78 11.748 1.768 6.152 1.00 11.12 C ATOM 1273 OG1 THR A 78 12.525 1.204 7.222 1.00 4.04 O ATOM 1274 CG2 THR A 78 12.394 1.406 4.815 1.00 30.23 C ATOM 0 H THR A 78 10.727 2.851 8.178 1.00 23.30 H new ATOM 0 HA THR A 78 12.624 3.747 6.346 1.00 11.43 H new ATOM 0 HB THR A 78 10.739 1.356 6.172 1.00 11.12 H new ATOM 0 HG1 THR A 78 12.593 0.234 7.101 1.00 4.04 H new ATOM 0 HG21 THR A 78 12.463 0.322 4.726 1.00 30.23 H new ATOM 0 HG22 THR A 78 11.787 1.799 3.999 1.00 30.23 H new ATOM 0 HG23 THR A 78 13.393 1.838 4.765 1.00 30.23 H new ATOM 1282 N GLY A 79 11.536 4.661 4.297 1.00 74.02 N ATOM 1283 CA GLY A 79 10.900 5.276 3.136 1.00 54.03 C ATOM 1284 C GLY A 79 11.733 5.160 1.861 1.00 1.40 C ATOM 1285 O GLY A 79 12.961 5.044 1.920 1.00 33.42 O ATOM 0 H GLY A 79 12.527 4.877 4.401 1.00 74.02 H new ATOM 0 HA2 GLY A 79 9.929 4.809 2.972 1.00 54.03 H new ATOM 0 HA3 GLY A 79 10.715 6.329 3.347 1.00 54.03 H new ATOM 1289 N PHE A 80 11.064 5.193 0.707 1.00 33.11 N ATOM 1290 CA PHE A 80 11.733 5.060 -0.601 1.00 32.33 C ATOM 1291 C PHE A 80 11.470 6.280 -1.497 1.00 0.34 C ATOM 1292 O PHE A 80 10.489 6.992 -1.317 1.00 14.23 O ATOM 1293 CB PHE A 80 11.260 3.783 -1.317 1.00 45.54 C ATOM 1294 CG PHE A 80 11.750 2.501 -0.685 1.00 35.21 C ATOM 1295 CD1 PHE A 80 11.250 2.073 0.539 1.00 21.44 C ATOM 1296 CD2 PHE A 80 12.706 1.721 -1.318 1.00 33.13 C ATOM 1297 CE1 PHE A 80 11.694 0.897 1.114 1.00 22.45 C ATOM 1298 CE2 PHE A 80 13.151 0.549 -0.746 1.00 71.04 C ATOM 1299 CZ PHE A 80 12.646 0.135 0.471 1.00 65.43 C ATOM 0 H PHE A 80 10.053 5.311 0.646 1.00 33.11 H new ATOM 0 HA PHE A 80 12.805 4.998 -0.415 1.00 32.33 H new ATOM 0 HB2 PHE A 80 10.170 3.773 -1.335 1.00 45.54 H new ATOM 0 HB3 PHE A 80 11.596 3.815 -2.353 1.00 45.54 H new ATOM 0 HD1 PHE A 80 10.505 2.667 1.048 1.00 21.44 H new ATOM 0 HD2 PHE A 80 13.106 2.036 -2.270 1.00 33.13 H new ATOM 0 HE1 PHE A 80 11.296 0.576 2.065 1.00 22.45 H new ATOM 0 HE2 PHE A 80 13.897 -0.047 -1.251 1.00 71.04 H new ATOM 0 HZ PHE A 80 12.996 -0.784 0.918 1.00 65.43 H new ATOM 1309 N SER A 81 12.346 6.496 -2.480 1.00 51.31 N ATOM 1310 CA SER A 81 12.228 7.638 -3.407 1.00 51.44 C ATOM 1311 C SER A 81 10.900 7.622 -4.182 1.00 51.15 C ATOM 1312 O SER A 81 10.344 8.672 -4.502 1.00 73.13 O ATOM 1313 CB SER A 81 13.391 7.627 -4.410 1.00 53.23 C ATOM 1314 OG SER A 81 14.646 7.571 -3.747 1.00 20.35 O ATOM 0 H SER A 81 13.151 5.896 -2.660 1.00 51.31 H new ATOM 0 HA SER A 81 12.258 8.544 -2.802 1.00 51.44 H new ATOM 0 HB2 SER A 81 13.291 6.770 -5.076 1.00 53.23 H new ATOM 0 HB3 SER A 81 13.346 8.521 -5.032 1.00 53.23 H new ATOM 0 HG SER A 81 15.367 7.564 -4.411 1.00 20.35 H new ATOM 1320 N ASN A 82 10.399 6.426 -4.481 1.00 44.33 N ATOM 1321 CA ASN A 82 9.178 6.270 -5.283 1.00 61.44 C ATOM 1322 C ASN A 82 8.176 5.325 -4.602 1.00 13.51 C ATOM 1323 O ASN A 82 8.574 4.386 -3.907 1.00 2.30 O ATOM 1324 CB ASN A 82 9.528 5.710 -6.671 1.00 22.22 C ATOM 1325 CG ASN A 82 10.527 6.573 -7.419 1.00 13.43 C ATOM 1326 OD1 ASN A 82 10.155 7.454 -8.184 1.00 70.12 O ATOM 1327 ND2 ASN A 82 11.806 6.319 -7.215 1.00 40.33 N ATOM 0 H ASN A 82 10.818 5.546 -4.181 1.00 44.33 H new ATOM 0 HA ASN A 82 8.720 7.254 -5.380 1.00 61.44 H new ATOM 0 HB2 ASN A 82 9.935 4.705 -6.560 1.00 22.22 H new ATOM 0 HB3 ASN A 82 8.617 5.622 -7.262 1.00 22.22 H new ATOM 0 HD21 ASN A 82 12.518 6.864 -7.701 1.00 40.33 H new ATOM 0 HD22 ASN A 82 12.082 5.578 -6.571 1.00 40.33 H new ATOM 1334 N ILE A 83 6.880 5.562 -4.818 1.00 72.31 N ATOM 1335 CA ILE A 83 5.836 4.659 -4.310 1.00 43.34 C ATOM 1336 C ILE A 83 5.974 3.243 -4.914 1.00 13.45 C ATOM 1337 O ILE A 83 5.935 2.253 -4.179 1.00 20.04 O ATOM 1338 CB ILE A 83 4.407 5.213 -4.569 1.00 54.42 C ATOM 1339 CG1 ILE A 83 4.224 6.556 -3.845 1.00 11.20 C ATOM 1340 CG2 ILE A 83 3.345 4.209 -4.118 1.00 53.12 C ATOM 1341 CD1 ILE A 83 2.859 7.185 -4.041 1.00 13.44 C ATOM 0 H ILE A 83 6.526 6.365 -5.338 1.00 72.31 H new ATOM 0 HA ILE A 83 5.980 4.594 -3.231 1.00 43.34 H new ATOM 0 HB ILE A 83 4.285 5.373 -5.640 1.00 54.42 H new ATOM 0 HG12 ILE A 83 4.394 6.407 -2.779 1.00 11.20 H new ATOM 0 HG13 ILE A 83 4.986 7.252 -4.195 1.00 11.20 H new ATOM 0 HG21 ILE A 83 2.353 4.618 -4.309 1.00 53.12 H new ATOM 0 HG22 ILE A 83 3.466 3.278 -4.672 1.00 53.12 H new ATOM 0 HG23 ILE A 83 3.458 4.014 -3.051 1.00 53.12 H new ATOM 0 HD11 ILE A 83 2.812 8.129 -3.498 1.00 13.44 H new ATOM 0 HD12 ILE A 83 2.692 7.368 -5.102 1.00 13.44 H new ATOM 0 HD13 ILE A 83 2.090 6.511 -3.664 1.00 13.44 H new ATOM 1353 N PRO A 84 6.143 3.109 -6.259 1.00 51.13 N ATOM 1354 CA PRO A 84 6.410 1.804 -6.888 1.00 21.34 C ATOM 1355 C PRO A 84 7.596 1.071 -6.235 1.00 60.54 C ATOM 1356 O PRO A 84 7.511 -0.118 -5.949 1.00 21.21 O ATOM 1357 CB PRO A 84 6.716 2.153 -8.362 1.00 34.34 C ATOM 1358 CG PRO A 84 6.894 3.638 -8.396 1.00 40.34 C ATOM 1359 CD PRO A 84 6.064 4.182 -7.267 1.00 0.01 C ATOM 0 HA PRO A 84 5.566 1.123 -6.778 1.00 21.34 H new ATOM 0 HB2 PRO A 84 7.615 1.643 -8.707 1.00 34.34 H new ATOM 0 HB3 PRO A 84 5.902 1.841 -9.016 1.00 34.34 H new ATOM 0 HG2 PRO A 84 7.943 3.908 -8.274 1.00 40.34 H new ATOM 0 HG3 PRO A 84 6.568 4.048 -9.352 1.00 40.34 H new ATOM 0 HD2 PRO A 84 6.463 5.123 -6.888 1.00 0.01 H new ATOM 0 HD3 PRO A 84 5.036 4.373 -7.576 1.00 0.01 H new ATOM 1367 N GLN A 85 8.695 1.792 -5.988 1.00 42.30 N ATOM 1368 CA GLN A 85 9.872 1.215 -5.311 1.00 14.44 C ATOM 1369 C GLN A 85 9.542 0.797 -3.868 1.00 34.00 C ATOM 1370 O GLN A 85 9.952 -0.265 -3.408 1.00 42.31 O ATOM 1371 CB GLN A 85 11.038 2.220 -5.313 1.00 13.01 C ATOM 1372 CG GLN A 85 11.664 2.444 -6.690 1.00 62.35 C ATOM 1373 CD GLN A 85 12.365 1.204 -7.225 1.00 72.25 C ATOM 1374 OE1 GLN A 85 13.547 0.992 -6.980 1.00 13.34 O ATOM 1375 NE2 GLN A 85 11.648 0.383 -7.965 1.00 73.30 N ATOM 0 H GLN A 85 8.799 2.774 -6.244 1.00 42.30 H new ATOM 0 HA GLN A 85 10.167 0.323 -5.863 1.00 14.44 H new ATOM 0 HB2 GLN A 85 10.681 3.175 -4.928 1.00 13.01 H new ATOM 0 HB3 GLN A 85 11.809 1.868 -4.628 1.00 13.01 H new ATOM 0 HG2 GLN A 85 10.888 2.749 -7.392 1.00 62.35 H new ATOM 0 HG3 GLN A 85 12.380 3.264 -6.630 1.00 62.35 H new ATOM 0 HE21 GLN A 85 10.666 0.589 -8.150 1.00 73.30 H new ATOM 0 HE22 GLN A 85 12.075 -0.458 -8.353 1.00 73.30 H new ATOM 1384 N LEU A 86 8.798 1.650 -3.168 1.00 60.32 N ATOM 1385 CA LEU A 86 8.367 1.373 -1.794 1.00 11.25 C ATOM 1386 C LEU A 86 7.620 0.028 -1.701 1.00 64.33 C ATOM 1387 O LEU A 86 8.007 -0.872 -0.940 1.00 24.55 O ATOM 1388 CB LEU A 86 7.470 2.527 -1.313 1.00 61.22 C ATOM 1389 CG LEU A 86 6.848 2.382 0.087 1.00 1.01 C ATOM 1390 CD1 LEU A 86 7.924 2.247 1.164 1.00 32.33 C ATOM 1391 CD2 LEU A 86 5.932 3.570 0.382 1.00 42.32 C ATOM 0 H LEU A 86 8.477 2.548 -3.531 1.00 60.32 H new ATOM 0 HA LEU A 86 9.246 1.298 -1.153 1.00 11.25 H new ATOM 0 HB2 LEU A 86 8.058 3.445 -1.331 1.00 61.22 H new ATOM 0 HB3 LEU A 86 6.661 2.652 -2.033 1.00 61.22 H new ATOM 0 HG LEU A 86 6.254 1.468 0.101 1.00 1.01 H new ATOM 0 HD11 LEU A 86 7.451 2.146 2.141 1.00 32.33 H new ATOM 0 HD12 LEU A 86 8.532 1.365 0.963 1.00 32.33 H new ATOM 0 HD13 LEU A 86 8.558 3.133 1.158 1.00 32.33 H new ATOM 0 HD21 LEU A 86 5.497 3.457 1.375 1.00 42.32 H new ATOM 0 HD22 LEU A 86 6.510 4.494 0.342 1.00 42.32 H new ATOM 0 HD23 LEU A 86 5.135 3.608 -0.361 1.00 42.32 H new ATOM 1403 N ILE A 87 6.562 -0.104 -2.490 1.00 72.52 N ATOM 1404 CA ILE A 87 5.744 -1.320 -2.505 1.00 55.13 C ATOM 1405 C ILE A 87 6.507 -2.519 -3.102 1.00 24.44 C ATOM 1406 O ILE A 87 6.581 -3.585 -2.483 1.00 32.02 O ATOM 1407 CB ILE A 87 4.434 -1.087 -3.301 1.00 34.14 C ATOM 1408 CG1 ILE A 87 3.616 0.056 -2.673 1.00 11.23 C ATOM 1409 CG2 ILE A 87 3.603 -2.368 -3.373 1.00 25.33 C ATOM 1410 CD1 ILE A 87 3.206 -0.191 -1.234 1.00 54.23 C ATOM 0 H ILE A 87 6.244 0.620 -3.135 1.00 72.52 H new ATOM 0 HA ILE A 87 5.502 -1.555 -1.469 1.00 55.13 H new ATOM 0 HB ILE A 87 4.702 -0.801 -4.318 1.00 34.14 H new ATOM 0 HG12 ILE A 87 4.201 0.975 -2.720 1.00 11.23 H new ATOM 0 HG13 ILE A 87 2.720 0.218 -3.272 1.00 11.23 H new ATOM 0 HG21 ILE A 87 2.689 -2.178 -3.936 1.00 25.33 H new ATOM 0 HG22 ILE A 87 4.180 -3.148 -3.869 1.00 25.33 H new ATOM 0 HG23 ILE A 87 3.346 -2.692 -2.365 1.00 25.33 H new ATOM 0 HD11 ILE A 87 2.634 0.661 -0.867 1.00 54.23 H new ATOM 0 HD12 ILE A 87 2.592 -1.090 -1.180 1.00 54.23 H new ATOM 0 HD13 ILE A 87 4.097 -0.322 -0.619 1.00 54.23 H new ATOM 1422 N ASP A 88 7.087 -2.333 -4.291 1.00 12.34 N ATOM 1423 CA ASP A 88 7.817 -3.407 -4.982 1.00 40.20 C ATOM 1424 C ASP A 88 8.937 -3.989 -4.108 1.00 2.52 C ATOM 1425 O ASP A 88 9.037 -5.204 -3.941 1.00 42.22 O ATOM 1426 CB ASP A 88 8.397 -2.882 -6.303 1.00 3.22 C ATOM 1427 CG ASP A 88 9.209 -3.928 -7.049 1.00 64.21 C ATOM 1428 OD1 ASP A 88 8.609 -4.777 -7.742 1.00 12.31 O ATOM 1429 OD2 ASP A 88 10.458 -3.897 -6.951 1.00 65.14 O ATOM 0 H ASP A 88 7.067 -1.448 -4.798 1.00 12.34 H new ATOM 0 HA ASP A 88 7.109 -4.210 -5.189 1.00 40.20 H new ATOM 0 HB2 ASP A 88 7.582 -2.539 -6.941 1.00 3.22 H new ATOM 0 HB3 ASP A 88 9.028 -2.017 -6.099 1.00 3.22 H new ATOM 1434 N HIS A 89 9.769 -3.120 -3.534 1.00 62.51 N ATOM 1435 CA HIS A 89 10.892 -3.574 -2.710 1.00 14.12 C ATOM 1436 C HIS A 89 10.402 -4.328 -1.466 1.00 11.32 C ATOM 1437 O HIS A 89 11.045 -5.271 -1.013 1.00 65.31 O ATOM 1438 CB HIS A 89 11.787 -2.398 -2.304 1.00 3.32 C ATOM 1439 CG HIS A 89 13.144 -2.825 -1.825 1.00 35.01 C ATOM 1440 ND1 HIS A 89 14.200 -3.053 -2.680 1.00 24.51 N ATOM 1441 CD2 HIS A 89 13.616 -3.078 -0.579 1.00 63.33 C ATOM 1442 CE1 HIS A 89 15.255 -3.428 -1.989 1.00 43.42 C ATOM 1443 NE2 HIS A 89 14.928 -3.451 -0.715 1.00 33.42 N ATOM 0 H HIS A 89 9.689 -2.107 -3.622 1.00 62.51 H new ATOM 0 HA HIS A 89 11.482 -4.263 -3.313 1.00 14.12 H new ATOM 0 HB2 HIS A 89 11.904 -1.728 -3.156 1.00 3.32 H new ATOM 0 HB3 HIS A 89 11.293 -1.829 -1.516 1.00 3.32 H new ATOM 0 HD2 HIS A 89 13.063 -3.000 0.345 1.00 63.33 H new ATOM 0 HE1 HIS A 89 16.224 -3.675 -2.398 1.00 43.42 H new ATOM 0 HE2 HIS A 89 15.552 -3.706 0.050 1.00 33.42 H new ATOM 1452 N HIS A 90 9.270 -3.905 -0.899 1.00 24.54 N ATOM 1453 CA HIS A 90 8.639 -4.662 0.194 1.00 0.44 C ATOM 1454 C HIS A 90 8.174 -6.047 -0.286 1.00 74.02 C ATOM 1455 O HIS A 90 8.356 -7.050 0.408 1.00 33.20 O ATOM 1456 CB HIS A 90 7.450 -3.886 0.785 1.00 53.30 C ATOM 1457 CG HIS A 90 7.819 -2.974 1.914 1.00 43.30 C ATOM 1458 ND1 HIS A 90 7.999 -1.616 1.768 1.00 61.41 N ATOM 1459 CD2 HIS A 90 8.019 -3.236 3.226 1.00 43.55 C ATOM 1460 CE1 HIS A 90 8.290 -1.083 2.941 1.00 41.51 C ATOM 1461 NE2 HIS A 90 8.309 -2.045 3.844 1.00 22.03 N ATOM 0 H HIS A 90 8.774 -3.056 -1.170 1.00 24.54 H new ATOM 0 HA HIS A 90 9.390 -4.799 0.972 1.00 0.44 H new ATOM 0 HB2 HIS A 90 6.984 -3.298 -0.006 1.00 53.30 H new ATOM 0 HB3 HIS A 90 6.703 -4.598 1.136 1.00 53.30 H new ATOM 0 HD1 HIS A 90 7.920 -1.102 0.891 1.00 61.41 H new ATOM 0 HD2 HIS A 90 7.961 -4.205 3.700 1.00 43.55 H new ATOM 0 HE1 HIS A 90 8.480 -0.037 3.129 1.00 41.51 H new ATOM 1470 N TYR A 91 7.596 -6.088 -1.484 1.00 11.04 N ATOM 1471 CA TYR A 91 7.070 -7.327 -2.066 1.00 13.22 C ATOM 1472 C TYR A 91 8.198 -8.329 -2.380 1.00 54.01 C ATOM 1473 O TYR A 91 8.096 -9.518 -2.065 1.00 3.43 O ATOM 1474 CB TYR A 91 6.281 -6.997 -3.341 1.00 52.11 C ATOM 1475 CG TYR A 91 5.530 -8.174 -3.938 1.00 20.21 C ATOM 1476 CD1 TYR A 91 4.231 -8.467 -3.536 1.00 24.40 C ATOM 1477 CD2 TYR A 91 6.116 -8.990 -4.902 1.00 51.50 C ATOM 1478 CE1 TYR A 91 3.542 -9.537 -4.074 1.00 5.40 C ATOM 1479 CE2 TYR A 91 5.429 -10.061 -5.444 1.00 33.44 C ATOM 1480 CZ TYR A 91 4.144 -10.330 -5.025 1.00 12.33 C ATOM 1481 OH TYR A 91 3.458 -11.400 -5.560 1.00 30.21 O ATOM 0 H TYR A 91 7.478 -5.268 -2.079 1.00 11.04 H new ATOM 0 HA TYR A 91 6.410 -7.796 -1.336 1.00 13.22 H new ATOM 0 HB2 TYR A 91 5.568 -6.203 -3.117 1.00 52.11 H new ATOM 0 HB3 TYR A 91 6.970 -6.605 -4.089 1.00 52.11 H new ATOM 0 HD1 TYR A 91 3.753 -7.848 -2.791 1.00 24.40 H new ATOM 0 HD2 TYR A 91 7.123 -8.783 -5.232 1.00 51.50 H new ATOM 0 HE1 TYR A 91 2.534 -9.751 -3.750 1.00 5.40 H new ATOM 0 HE2 TYR A 91 5.897 -10.684 -6.192 1.00 33.44 H new ATOM 0 HH TYR A 91 4.024 -11.856 -6.218 1.00 30.21 H new ATOM 1491 N THR A 92 9.272 -7.839 -3.000 1.00 55.11 N ATOM 1492 CA THR A 92 10.415 -8.687 -3.379 1.00 50.11 C ATOM 1493 C THR A 92 11.162 -9.222 -2.148 1.00 10.14 C ATOM 1494 O THR A 92 11.582 -10.383 -2.119 1.00 50.03 O ATOM 1495 CB THR A 92 11.428 -7.927 -4.270 1.00 2.53 C ATOM 1496 OG1 THR A 92 11.940 -6.784 -3.565 1.00 71.12 O ATOM 1497 CG2 THR A 92 10.784 -7.476 -5.582 1.00 61.13 C ATOM 0 H THR A 92 9.379 -6.857 -3.253 1.00 55.11 H new ATOM 0 HA THR A 92 9.992 -9.521 -3.940 1.00 50.11 H new ATOM 0 HB THR A 92 12.245 -8.608 -4.507 1.00 2.53 H new ATOM 0 HG1 THR A 92 12.581 -6.309 -4.134 1.00 71.12 H new ATOM 0 HG21 THR A 92 11.521 -6.945 -6.185 1.00 61.13 H new ATOM 0 HG22 THR A 92 10.426 -8.348 -6.130 1.00 61.13 H new ATOM 0 HG23 THR A 92 9.946 -6.813 -5.367 1.00 61.13 H new ATOM 1505 N THR A 93 11.342 -8.372 -1.140 1.00 62.51 N ATOM 1506 CA THR A 93 12.006 -8.781 0.109 1.00 61.13 C ATOM 1507 C THR A 93 11.049 -9.547 1.030 1.00 32.01 C ATOM 1508 O THR A 93 11.484 -10.182 1.992 1.00 40.51 O ATOM 1509 CB THR A 93 12.573 -7.572 0.892 1.00 62.32 C ATOM 1510 OG1 THR A 93 11.506 -6.696 1.291 1.00 53.35 O ATOM 1511 CG2 THR A 93 13.588 -6.798 0.053 1.00 54.35 C ATOM 0 H THR A 93 11.041 -7.398 -1.157 1.00 62.51 H new ATOM 0 HA THR A 93 12.829 -9.430 -0.191 1.00 61.13 H new ATOM 0 HB THR A 93 13.079 -7.954 1.778 1.00 62.32 H new ATOM 0 HG1 THR A 93 11.262 -6.115 0.541 1.00 53.35 H new ATOM 0 HG21 THR A 93 13.969 -5.955 0.629 1.00 54.35 H new ATOM 0 HG22 THR A 93 14.414 -7.456 -0.217 1.00 54.35 H new ATOM 0 HG23 THR A 93 13.106 -6.430 -0.853 1.00 54.35 H new ATOM 1519 N LYS A 94 9.747 -9.473 0.734 1.00 5.54 N ATOM 1520 CA LYS A 94 8.719 -10.170 1.520 1.00 60.45 C ATOM 1521 C LYS A 94 8.695 -9.651 2.974 1.00 61.32 C ATOM 1522 O LYS A 94 8.302 -10.356 3.907 1.00 52.03 O ATOM 1523 CB LYS A 94 8.974 -11.692 1.460 1.00 3.40 C ATOM 1524 CG LYS A 94 7.832 -12.564 1.980 1.00 15.52 C ATOM 1525 CD LYS A 94 6.507 -12.251 1.285 1.00 32.51 C ATOM 1526 CE LYS A 94 5.426 -13.278 1.619 1.00 24.05 C ATOM 1527 NZ LYS A 94 5.318 -13.542 3.082 1.00 63.34 N ATOM 0 H LYS A 94 9.377 -8.934 -0.049 1.00 5.54 H new ATOM 0 HA LYS A 94 7.736 -9.967 1.094 1.00 60.45 H new ATOM 0 HB2 LYS A 94 9.180 -11.969 0.426 1.00 3.40 H new ATOM 0 HB3 LYS A 94 9.872 -11.917 2.035 1.00 3.40 H new ATOM 0 HG2 LYS A 94 8.081 -13.614 1.829 1.00 15.52 H new ATOM 0 HG3 LYS A 94 7.722 -12.414 3.054 1.00 15.52 H new ATOM 0 HD2 LYS A 94 6.168 -11.259 1.582 1.00 32.51 H new ATOM 0 HD3 LYS A 94 6.661 -12.225 0.206 1.00 32.51 H new ATOM 0 HE2 LYS A 94 4.465 -12.923 1.246 1.00 24.05 H new ATOM 0 HE3 LYS A 94 5.644 -14.211 1.100 1.00 24.05 H new ATOM 0 HZ1 LYS A 94 4.316 -13.632 3.346 1.00 63.34 H new ATOM 0 HZ2 LYS A 94 5.817 -14.425 3.313 1.00 63.34 H new ATOM 0 HZ3 LYS A 94 5.745 -12.754 3.609 1.00 63.34 H new ATOM 1541 N GLN A 95 9.093 -8.390 3.144 1.00 63.32 N ATOM 1542 CA GLN A 95 9.179 -7.764 4.472 1.00 11.44 C ATOM 1543 C GLN A 95 7.902 -6.988 4.832 1.00 72.44 C ATOM 1544 O GLN A 95 7.118 -6.602 3.961 1.00 41.33 O ATOM 1545 CB GLN A 95 10.398 -6.827 4.542 1.00 30.52 C ATOM 1546 CG GLN A 95 11.739 -7.555 4.570 1.00 51.31 C ATOM 1547 CD GLN A 95 11.967 -8.318 5.865 1.00 74.53 C ATOM 1548 OE1 GLN A 95 11.593 -9.480 5.996 1.00 14.23 O ATOM 1549 NE2 GLN A 95 12.584 -7.670 6.835 1.00 13.42 N ATOM 0 H GLN A 95 9.363 -7.775 2.376 1.00 63.32 H new ATOM 0 HA GLN A 95 9.293 -8.567 5.200 1.00 11.44 H new ATOM 0 HB2 GLN A 95 10.378 -6.157 3.683 1.00 30.52 H new ATOM 0 HB3 GLN A 95 10.315 -6.205 5.433 1.00 30.52 H new ATOM 0 HG2 GLN A 95 11.788 -8.249 3.731 1.00 51.31 H new ATOM 0 HG3 GLN A 95 12.543 -6.832 4.433 1.00 51.31 H new ATOM 0 HE21 GLN A 95 12.882 -6.705 6.694 1.00 13.42 H new ATOM 0 HE22 GLN A 95 12.763 -8.134 7.725 1.00 13.42 H new ATOM 1558 N VAL A 96 7.712 -6.752 6.129 1.00 4.14 N ATOM 1559 CA VAL A 96 6.520 -6.061 6.636 1.00 3.24 C ATOM 1560 C VAL A 96 6.514 -4.563 6.286 1.00 13.23 C ATOM 1561 O VAL A 96 7.564 -3.956 6.052 1.00 1.44 O ATOM 1562 CB VAL A 96 6.398 -6.208 8.177 1.00 74.53 C ATOM 1563 CG1 VAL A 96 6.358 -7.680 8.576 1.00 24.33 C ATOM 1564 CG2 VAL A 96 7.543 -5.484 8.891 1.00 11.33 C ATOM 0 H VAL A 96 8.372 -7.030 6.855 1.00 4.14 H new ATOM 0 HA VAL A 96 5.670 -6.537 6.147 1.00 3.24 H new ATOM 0 HB VAL A 96 5.462 -5.743 8.487 1.00 74.53 H new ATOM 0 HG11 VAL A 96 6.272 -7.761 9.660 1.00 24.33 H new ATOM 0 HG12 VAL A 96 5.499 -8.161 8.107 1.00 24.33 H new ATOM 0 HG13 VAL A 96 7.274 -8.171 8.247 1.00 24.33 H new ATOM 0 HG21 VAL A 96 7.433 -5.603 9.969 1.00 11.33 H new ATOM 0 HG22 VAL A 96 8.496 -5.909 8.574 1.00 11.33 H new ATOM 0 HG23 VAL A 96 7.517 -4.424 8.639 1.00 11.33 H new ATOM 1574 N ILE A 97 5.319 -3.974 6.253 1.00 5.52 N ATOM 1575 CA ILE A 97 5.161 -2.533 6.038 1.00 71.23 C ATOM 1576 C ILE A 97 5.721 -1.737 7.228 1.00 71.03 C ATOM 1577 O ILE A 97 6.656 -0.946 7.080 1.00 42.32 O ATOM 1578 CB ILE A 97 3.670 -2.166 5.815 1.00 44.01 C ATOM 1579 CG1 ILE A 97 3.145 -2.828 4.531 1.00 51.55 C ATOM 1580 CG2 ILE A 97 3.478 -0.651 5.748 1.00 44.11 C ATOM 1581 CD1 ILE A 97 3.879 -2.392 3.281 1.00 63.14 C ATOM 0 H ILE A 97 4.439 -4.476 6.373 1.00 5.52 H new ATOM 0 HA ILE A 97 5.724 -2.269 5.143 1.00 71.23 H new ATOM 0 HB ILE A 97 3.099 -2.540 6.665 1.00 44.01 H new ATOM 0 HG12 ILE A 97 3.226 -3.910 4.631 1.00 51.55 H new ATOM 0 HG13 ILE A 97 2.086 -2.596 4.420 1.00 51.55 H new ATOM 0 HG21 ILE A 97 2.423 -0.424 5.591 1.00 44.11 H new ATOM 0 HG22 ILE A 97 3.811 -0.200 6.683 1.00 44.11 H new ATOM 0 HG23 ILE A 97 4.063 -0.246 4.922 1.00 44.11 H new ATOM 0 HD11 ILE A 97 3.455 -2.899 2.414 1.00 63.14 H new ATOM 0 HD12 ILE A 97 3.777 -1.314 3.156 1.00 63.14 H new ATOM 0 HD13 ILE A 97 4.935 -2.648 3.371 1.00 63.14 H new ATOM 1593 N THR A 98 5.139 -1.953 8.408 1.00 54.35 N ATOM 1594 CA THR A 98 5.622 -1.333 9.651 1.00 54.33 C ATOM 1595 C THR A 98 5.728 -2.372 10.770 1.00 22.42 C ATOM 1596 O THR A 98 4.961 -3.337 10.808 1.00 2.42 O ATOM 1597 CB THR A 98 4.690 -0.198 10.147 1.00 20.12 C ATOM 1598 OG1 THR A 98 3.380 -0.716 10.425 1.00 64.32 O ATOM 1599 CG2 THR A 98 4.580 0.928 9.128 1.00 34.34 C ATOM 0 H THR A 98 4.326 -2.557 8.533 1.00 54.35 H new ATOM 0 HA THR A 98 6.601 -0.914 9.417 1.00 54.33 H new ATOM 0 HB THR A 98 5.129 0.207 11.059 1.00 20.12 H new ATOM 0 HG1 THR A 98 2.801 0.010 10.739 1.00 64.32 H new ATOM 0 HG21 THR A 98 3.918 1.704 9.513 1.00 34.34 H new ATOM 0 HG22 THR A 98 5.568 1.351 8.946 1.00 34.34 H new ATOM 0 HG23 THR A 98 4.175 0.536 8.195 1.00 34.34 H new ATOM 1607 N LYS A 99 6.662 -2.172 11.694 1.00 53.22 N ATOM 1608 CA LYS A 99 6.799 -3.065 12.852 1.00 24.04 C ATOM 1609 C LYS A 99 5.639 -2.864 13.835 1.00 14.24 C ATOM 1610 O LYS A 99 5.371 -3.715 14.685 1.00 4.11 O ATOM 1611 CB LYS A 99 8.150 -2.845 13.553 1.00 72.24 C ATOM 1612 CG LYS A 99 9.331 -3.504 12.840 1.00 45.24 C ATOM 1613 CD LYS A 99 9.592 -2.915 11.454 1.00 53.22 C ATOM 1614 CE LYS A 99 10.608 -3.742 10.670 1.00 51.33 C ATOM 1615 NZ LYS A 99 11.902 -3.876 11.395 1.00 74.20 N ATOM 0 H LYS A 99 7.335 -1.406 11.669 1.00 53.22 H new ATOM 0 HA LYS A 99 6.765 -4.093 12.493 1.00 24.04 H new ATOM 0 HB2 LYS A 99 8.337 -1.774 13.632 1.00 72.24 H new ATOM 0 HB3 LYS A 99 8.089 -3.234 14.569 1.00 72.24 H new ATOM 0 HG2 LYS A 99 10.226 -3.392 13.451 1.00 45.24 H new ATOM 0 HG3 LYS A 99 9.141 -4.573 12.745 1.00 45.24 H new ATOM 0 HD2 LYS A 99 8.656 -2.866 10.898 1.00 53.22 H new ATOM 0 HD3 LYS A 99 9.956 -1.893 11.556 1.00 53.22 H new ATOM 0 HE2 LYS A 99 10.197 -4.733 10.478 1.00 51.33 H new ATOM 0 HE3 LYS A 99 10.783 -3.276 9.700 1.00 51.33 H new ATOM 0 HZ1 LYS A 99 12.608 -4.310 10.767 1.00 74.20 H new ATOM 0 HZ2 LYS A 99 12.233 -2.936 11.691 1.00 74.20 H new ATOM 0 HZ3 LYS A 99 11.769 -4.476 12.234 1.00 74.20 H new ATOM 1629 N LYS A 100 4.950 -1.734 13.697 1.00 44.15 N ATOM 1630 CA LYS A 100 3.762 -1.430 14.501 1.00 34.22 C ATOM 1631 C LYS A 100 2.553 -2.284 14.072 1.00 31.33 C ATOM 1632 O LYS A 100 1.556 -2.367 14.788 1.00 51.44 O ATOM 1633 CB LYS A 100 3.417 0.061 14.374 1.00 31.52 C ATOM 1634 CG LYS A 100 4.519 0.989 14.871 1.00 33.33 C ATOM 1635 CD LYS A 100 4.196 2.466 14.630 1.00 23.32 C ATOM 1636 CE LYS A 100 2.942 2.933 15.370 1.00 64.02 C ATOM 1637 NZ LYS A 100 1.685 2.510 14.691 1.00 62.25 N ATOM 0 H LYS A 100 5.195 -1.004 13.028 1.00 44.15 H new ATOM 0 HA LYS A 100 3.989 -1.669 15.540 1.00 34.22 H new ATOM 0 HB2 LYS A 100 3.206 0.288 13.329 1.00 31.52 H new ATOM 0 HB3 LYS A 100 2.504 0.263 14.934 1.00 31.52 H new ATOM 0 HG2 LYS A 100 4.675 0.824 15.937 1.00 33.33 H new ATOM 0 HG3 LYS A 100 5.454 0.739 14.370 1.00 33.33 H new ATOM 0 HD2 LYS A 100 5.044 3.074 14.945 1.00 23.32 H new ATOM 0 HD3 LYS A 100 4.064 2.633 13.561 1.00 23.32 H new ATOM 0 HE2 LYS A 100 2.954 2.535 16.385 1.00 64.02 H new ATOM 0 HE3 LYS A 100 2.957 4.020 15.454 1.00 64.02 H new ATOM 0 HZ1 LYS A 100 1.055 3.331 14.584 1.00 62.25 H new ATOM 0 HZ2 LYS A 100 1.911 2.122 13.753 1.00 62.25 H new ATOM 0 HZ3 LYS A 100 1.210 1.782 15.262 1.00 62.25 H new ATOM 1651 N SER A 101 2.650 -2.908 12.898 1.00 50.32 N ATOM 1652 CA SER A 101 1.561 -3.740 12.361 1.00 33.11 C ATOM 1653 C SER A 101 2.002 -5.196 12.166 1.00 72.23 C ATOM 1654 O SER A 101 1.363 -6.121 12.673 1.00 43.11 O ATOM 1655 CB SER A 101 1.070 -3.178 11.020 1.00 4.33 C ATOM 1656 OG SER A 101 2.104 -3.192 10.045 1.00 41.12 O ATOM 0 H SER A 101 3.472 -2.856 12.296 1.00 50.32 H new ATOM 0 HA SER A 101 0.751 -3.720 13.090 1.00 33.11 H new ATOM 0 HB2 SER A 101 0.224 -3.766 10.665 1.00 4.33 H new ATOM 0 HB3 SER A 101 0.713 -2.158 11.160 1.00 4.33 H new ATOM 0 HG SER A 101 2.614 -2.357 10.097 1.00 41.12 H new ATOM 1662 N GLY A 102 3.086 -5.393 11.418 1.00 21.44 N ATOM 1663 CA GLY A 102 3.570 -6.741 11.130 1.00 5.32 C ATOM 1664 C GLY A 102 2.889 -7.371 9.915 1.00 23.32 C ATOM 1665 O GLY A 102 2.844 -8.594 9.785 1.00 23.42 O ATOM 0 H GLY A 102 3.641 -4.644 11.004 1.00 21.44 H new ATOM 0 HA2 GLY A 102 4.646 -6.706 10.960 1.00 5.32 H new ATOM 0 HA3 GLY A 102 3.405 -7.375 12.002 1.00 5.32 H new ATOM 1669 N VAL A 103 2.359 -6.532 9.025 1.00 11.41 N ATOM 1670 CA VAL A 103 1.673 -7.007 7.815 1.00 12.30 C ATOM 1671 C VAL A 103 2.605 -6.991 6.590 1.00 71.01 C ATOM 1672 O VAL A 103 3.303 -6.005 6.338 1.00 40.43 O ATOM 1673 CB VAL A 103 0.419 -6.150 7.510 1.00 10.20 C ATOM 1674 CG1 VAL A 103 -0.341 -6.713 6.309 1.00 31.13 C ATOM 1675 CG2 VAL A 103 -0.488 -6.060 8.739 1.00 71.32 C ATOM 0 H VAL A 103 2.390 -5.517 9.116 1.00 11.41 H new ATOM 0 HA VAL A 103 1.368 -8.035 8.011 1.00 12.30 H new ATOM 0 HB VAL A 103 0.747 -5.141 7.259 1.00 10.20 H new ATOM 0 HG11 VAL A 103 -1.218 -6.096 6.112 1.00 31.13 H new ATOM 0 HG12 VAL A 103 0.309 -6.711 5.434 1.00 31.13 H new ATOM 0 HG13 VAL A 103 -0.656 -7.734 6.524 1.00 31.13 H new ATOM 0 HG21 VAL A 103 -1.362 -5.454 8.502 1.00 71.32 H new ATOM 0 HG22 VAL A 103 -0.808 -7.061 9.029 1.00 71.32 H new ATOM 0 HG23 VAL A 103 0.059 -5.601 9.562 1.00 71.32 H new ATOM 1685 N VAL A 104 2.605 -8.088 5.831 1.00 12.41 N ATOM 1686 CA VAL A 104 3.450 -8.218 4.633 1.00 2.12 C ATOM 1687 C VAL A 104 2.612 -8.100 3.340 1.00 42.21 C ATOM 1688 O VAL A 104 1.409 -8.358 3.348 1.00 45.33 O ATOM 1689 CB VAL A 104 4.202 -9.575 4.640 1.00 60.23 C ATOM 1690 CG1 VAL A 104 5.152 -9.689 3.450 1.00 1.44 C ATOM 1691 CG2 VAL A 104 4.956 -9.768 5.957 1.00 52.03 C ATOM 0 H VAL A 104 2.027 -8.906 6.023 1.00 12.41 H new ATOM 0 HA VAL A 104 4.174 -7.404 4.654 1.00 2.12 H new ATOM 0 HB VAL A 104 3.460 -10.368 4.549 1.00 60.23 H new ATOM 0 HG11 VAL A 104 5.664 -10.651 3.484 1.00 1.44 H new ATOM 0 HG12 VAL A 104 4.584 -9.612 2.523 1.00 1.44 H new ATOM 0 HG13 VAL A 104 5.887 -8.885 3.493 1.00 1.44 H new ATOM 0 HG21 VAL A 104 5.476 -10.726 5.941 1.00 52.03 H new ATOM 0 HG22 VAL A 104 5.680 -8.963 6.083 1.00 52.03 H new ATOM 0 HG23 VAL A 104 4.249 -9.753 6.787 1.00 52.03 H new ATOM 1701 N LEU A 105 3.256 -7.710 2.236 1.00 63.45 N ATOM 1702 CA LEU A 105 2.567 -7.550 0.946 1.00 63.41 C ATOM 1703 C LEU A 105 2.698 -8.802 0.062 1.00 34.12 C ATOM 1704 O LEU A 105 3.804 -9.272 -0.212 1.00 5.11 O ATOM 1705 CB LEU A 105 3.130 -6.341 0.188 1.00 22.54 C ATOM 1706 CG LEU A 105 3.002 -4.990 0.908 1.00 40.11 C ATOM 1707 CD1 LEU A 105 3.581 -3.871 0.048 1.00 55.35 C ATOM 1708 CD2 LEU A 105 1.545 -4.694 1.272 1.00 1.05 C ATOM 0 H LEU A 105 4.253 -7.499 2.207 1.00 63.45 H new ATOM 0 HA LEU A 105 1.511 -7.396 1.166 1.00 63.41 H new ATOM 0 HB2 LEU A 105 4.184 -6.524 -0.020 1.00 22.54 H new ATOM 0 HB3 LEU A 105 2.623 -6.269 -0.774 1.00 22.54 H new ATOM 0 HG LEU A 105 3.573 -5.045 1.835 1.00 40.11 H new ATOM 0 HD11 LEU A 105 3.482 -2.921 0.573 1.00 55.35 H new ATOM 0 HD12 LEU A 105 4.635 -4.070 -0.147 1.00 55.35 H new ATOM 0 HD13 LEU A 105 3.040 -3.821 -0.897 1.00 55.35 H new ATOM 0 HD21 LEU A 105 1.485 -3.732 1.780 1.00 1.05 H new ATOM 0 HD22 LEU A 105 0.942 -4.663 0.364 1.00 1.05 H new ATOM 0 HD23 LEU A 105 1.168 -5.476 1.931 1.00 1.05 H new ATOM 1720 N LEU A 106 1.560 -9.333 -0.379 1.00 23.05 N ATOM 1721 CA LEU A 106 1.534 -10.448 -1.335 1.00 12.52 C ATOM 1722 C LEU A 106 0.376 -10.286 -2.336 1.00 63.12 C ATOM 1723 O LEU A 106 -0.559 -9.533 -2.087 1.00 21.23 O ATOM 1724 CB LEU A 106 1.432 -11.809 -0.614 1.00 33.43 C ATOM 1725 CG LEU A 106 0.346 -11.913 0.474 1.00 34.02 C ATOM 1726 CD1 LEU A 106 -0.072 -13.366 0.688 1.00 44.44 C ATOM 1727 CD2 LEU A 106 0.842 -11.313 1.791 1.00 50.44 C ATOM 0 H LEU A 106 0.637 -9.010 -0.090 1.00 23.05 H new ATOM 0 HA LEU A 106 2.475 -10.428 -1.885 1.00 12.52 H new ATOM 0 HB2 LEU A 106 1.246 -12.581 -1.361 1.00 33.43 H new ATOM 0 HB3 LEU A 106 2.397 -12.031 -0.159 1.00 33.43 H new ATOM 0 HG LEU A 106 -0.522 -11.348 0.135 1.00 34.02 H new ATOM 0 HD11 LEU A 106 -0.839 -13.414 1.461 1.00 44.44 H new ATOM 0 HD12 LEU A 106 -0.468 -13.771 -0.243 1.00 44.44 H new ATOM 0 HD13 LEU A 106 0.793 -13.951 0.999 1.00 44.44 H new ATOM 0 HD21 LEU A 106 0.060 -11.396 2.546 1.00 50.44 H new ATOM 0 HD22 LEU A 106 1.728 -11.852 2.125 1.00 50.44 H new ATOM 0 HD23 LEU A 106 1.091 -10.262 1.641 1.00 50.44 H new ATOM 1739 N ASN A 107 0.471 -10.996 -3.469 1.00 14.13 N ATOM 1740 CA ASN A 107 -0.546 -10.983 -4.550 1.00 53.33 C ATOM 1741 C ASN A 107 -1.280 -9.628 -4.734 1.00 33.34 C ATOM 1742 O ASN A 107 -2.324 -9.382 -4.134 1.00 52.43 O ATOM 1743 CB ASN A 107 -1.549 -12.155 -4.402 1.00 21.13 C ATOM 1744 CG ASN A 107 -2.148 -12.352 -3.004 1.00 71.20 C ATOM 1745 OD1 ASN A 107 -2.396 -13.481 -2.590 1.00 12.41 O ATOM 1746 ND2 ASN A 107 -2.419 -11.288 -2.279 1.00 34.51 N ATOM 0 H ASN A 107 1.263 -11.606 -3.671 1.00 14.13 H new ATOM 0 HA ASN A 107 0.021 -11.124 -5.470 1.00 53.33 H new ATOM 0 HB2 ASN A 107 -2.365 -12.000 -5.107 1.00 21.13 H new ATOM 0 HB3 ASN A 107 -1.046 -13.077 -4.694 1.00 21.13 H new ATOM 0 HD21 ASN A 107 -2.842 -11.393 -1.357 1.00 34.51 H new ATOM 0 HD22 ASN A 107 -2.206 -10.358 -2.639 1.00 34.51 H new ATOM 1753 N PRO A 108 -0.743 -8.731 -5.589 1.00 34.41 N ATOM 1754 CA PRO A 108 -1.374 -7.423 -5.866 1.00 62.41 C ATOM 1755 C PRO A 108 -2.687 -7.553 -6.661 1.00 63.10 C ATOM 1756 O PRO A 108 -2.761 -8.299 -7.641 1.00 71.53 O ATOM 1757 CB PRO A 108 -0.307 -6.687 -6.691 1.00 75.01 C ATOM 1758 CG PRO A 108 0.499 -7.772 -7.329 1.00 4.13 C ATOM 1759 CD PRO A 108 0.512 -8.913 -6.347 1.00 23.15 C ATOM 0 HA PRO A 108 -1.658 -6.905 -4.950 1.00 62.41 H new ATOM 0 HB2 PRO A 108 -0.763 -6.040 -7.441 1.00 75.01 H new ATOM 0 HB3 PRO A 108 0.314 -6.053 -6.058 1.00 75.01 H new ATOM 0 HG2 PRO A 108 0.058 -8.079 -8.278 1.00 4.13 H new ATOM 0 HG3 PRO A 108 1.512 -7.431 -7.544 1.00 4.13 H new ATOM 0 HD2 PRO A 108 0.539 -9.878 -6.853 1.00 23.15 H new ATOM 0 HD3 PRO A 108 1.384 -8.871 -5.695 1.00 23.15 H new ATOM 1767 N ILE A 109 -3.720 -6.825 -6.236 1.00 2.15 N ATOM 1768 CA ILE A 109 -5.029 -6.866 -6.905 1.00 1.34 C ATOM 1769 C ILE A 109 -5.043 -6.005 -8.187 1.00 45.11 C ATOM 1770 O ILE A 109 -4.795 -4.800 -8.129 1.00 41.54 O ATOM 1771 CB ILE A 109 -6.161 -6.388 -5.951 1.00 44.51 C ATOM 1772 CG1 ILE A 109 -6.237 -7.294 -4.708 1.00 1.44 C ATOM 1773 CG2 ILE A 109 -7.507 -6.353 -6.681 1.00 1.11 C ATOM 1774 CD1 ILE A 109 -6.517 -8.749 -5.026 1.00 73.24 C ATOM 0 H ILE A 109 -3.680 -6.199 -5.432 1.00 2.15 H new ATOM 0 HA ILE A 109 -5.207 -7.905 -7.182 1.00 1.34 H new ATOM 0 HB ILE A 109 -5.928 -5.375 -5.623 1.00 44.51 H new ATOM 0 HG12 ILE A 109 -5.296 -7.226 -4.163 1.00 1.44 H new ATOM 0 HG13 ILE A 109 -7.017 -6.920 -4.045 1.00 1.44 H new ATOM 0 HG21 ILE A 109 -8.284 -6.016 -5.995 1.00 1.11 H new ATOM 0 HG22 ILE A 109 -7.445 -5.666 -7.525 1.00 1.11 H new ATOM 0 HG23 ILE A 109 -7.751 -7.352 -7.043 1.00 1.11 H new ATOM 0 HD11 ILE A 109 -6.556 -9.323 -4.100 1.00 73.24 H new ATOM 0 HD12 ILE A 109 -7.473 -8.831 -5.544 1.00 73.24 H new ATOM 0 HD13 ILE A 109 -5.724 -9.141 -5.663 1.00 73.24 H new ATOM 1786 N PRO A 110 -5.340 -6.616 -9.359 1.00 45.23 N ATOM 1787 CA PRO A 110 -5.386 -5.898 -10.655 1.00 53.14 C ATOM 1788 C PRO A 110 -6.322 -4.672 -10.649 1.00 41.53 C ATOM 1789 O PRO A 110 -7.363 -4.669 -9.989 1.00 43.53 O ATOM 1790 CB PRO A 110 -5.908 -6.964 -11.631 1.00 23.20 C ATOM 1791 CG PRO A 110 -5.523 -8.264 -11.008 1.00 4.41 C ATOM 1792 CD PRO A 110 -5.640 -8.053 -9.520 1.00 73.34 C ATOM 0 HA PRO A 110 -4.409 -5.489 -10.914 1.00 53.14 H new ATOM 0 HB2 PRO A 110 -6.988 -6.890 -11.759 1.00 23.20 H new ATOM 0 HB3 PRO A 110 -5.462 -6.850 -12.619 1.00 23.20 H new ATOM 0 HG2 PRO A 110 -6.179 -9.068 -11.342 1.00 4.41 H new ATOM 0 HG3 PRO A 110 -4.507 -8.545 -11.285 1.00 4.41 H new ATOM 0 HD2 PRO A 110 -6.637 -8.300 -9.155 1.00 73.34 H new ATOM 0 HD3 PRO A 110 -4.936 -8.676 -8.968 1.00 73.34 H new ATOM 1800 N LYS A 111 -5.954 -3.639 -11.409 1.00 21.31 N ATOM 1801 CA LYS A 111 -6.707 -2.372 -11.428 1.00 33.13 C ATOM 1802 C LYS A 111 -7.764 -2.329 -12.553 1.00 51.34 C ATOM 1803 O LYS A 111 -7.532 -2.805 -13.665 1.00 43.32 O ATOM 1804 CB LYS A 111 -5.740 -1.174 -11.550 1.00 62.45 C ATOM 1805 CG LYS A 111 -5.141 -0.932 -12.946 1.00 2.30 C ATOM 1806 CD LYS A 111 -4.392 -2.145 -13.504 1.00 22.21 C ATOM 1807 CE LYS A 111 -3.607 -1.804 -14.769 1.00 33.35 C ATOM 1808 NZ LYS A 111 -2.457 -0.899 -14.484 1.00 34.02 N ATOM 0 H LYS A 111 -5.139 -3.650 -12.022 1.00 21.31 H new ATOM 0 HA LYS A 111 -7.245 -2.305 -10.483 1.00 33.13 H new ATOM 0 HB2 LYS A 111 -6.269 -0.272 -11.242 1.00 62.45 H new ATOM 0 HB3 LYS A 111 -4.921 -1.320 -10.845 1.00 62.45 H new ATOM 0 HG2 LYS A 111 -5.941 -0.660 -13.634 1.00 2.30 H new ATOM 0 HG3 LYS A 111 -4.459 -0.083 -12.899 1.00 2.30 H new ATOM 0 HD2 LYS A 111 -3.709 -2.529 -12.746 1.00 22.21 H new ATOM 0 HD3 LYS A 111 -5.104 -2.941 -13.723 1.00 22.21 H new ATOM 0 HE2 LYS A 111 -3.241 -2.723 -15.227 1.00 33.35 H new ATOM 0 HE3 LYS A 111 -4.271 -1.330 -15.492 1.00 33.35 H new ATOM 0 HZ1 LYS A 111 -2.525 -0.052 -15.084 1.00 34.02 H new ATOM 0 HZ2 LYS A 111 -2.477 -0.617 -13.483 1.00 34.02 H new ATOM 0 HZ3 LYS A 111 -1.566 -1.396 -14.686 1.00 34.02 H new ATOM 1822 N ASP A 112 -8.930 -1.760 -12.244 1.00 2.03 N ATOM 1823 CA ASP A 112 -10.002 -1.580 -13.231 1.00 34.34 C ATOM 1824 C ASP A 112 -9.979 -0.150 -13.804 1.00 72.34 C ATOM 1825 O ASP A 112 -10.291 0.810 -13.099 1.00 12.35 O ATOM 1826 CB ASP A 112 -11.368 -1.855 -12.585 1.00 22.01 C ATOM 1827 CG ASP A 112 -11.460 -3.244 -11.975 1.00 2.41 C ATOM 1828 OD1 ASP A 112 -10.957 -3.433 -10.849 1.00 3.12 O ATOM 1829 OD2 ASP A 112 -12.039 -4.146 -12.617 1.00 62.10 O ATOM 0 H ASP A 112 -9.159 -1.413 -11.313 1.00 2.03 H new ATOM 0 HA ASP A 112 -9.839 -2.287 -14.045 1.00 34.34 H new ATOM 0 HB2 ASP A 112 -11.556 -1.110 -11.812 1.00 22.01 H new ATOM 0 HB3 ASP A 112 -12.150 -1.740 -13.336 1.00 22.01 H new ATOM 1834 N LYS A 113 -9.616 -0.012 -15.081 1.00 54.42 N ATOM 1835 CA LYS A 113 -9.531 1.313 -15.725 1.00 14.21 C ATOM 1836 C LYS A 113 -10.855 1.688 -16.431 1.00 62.02 C ATOM 1837 O LYS A 113 -10.871 2.475 -17.381 1.00 61.53 O ATOM 1838 CB LYS A 113 -8.348 1.353 -16.724 1.00 4.44 C ATOM 1839 CG LYS A 113 -8.606 0.691 -18.086 1.00 0.40 C ATOM 1840 CD LYS A 113 -8.897 -0.803 -17.985 1.00 14.35 C ATOM 1841 CE LYS A 113 -9.147 -1.421 -19.355 1.00 11.31 C ATOM 1842 NZ LYS A 113 -9.489 -2.867 -19.259 1.00 12.12 N ATOM 0 H LYS A 113 -9.376 -0.793 -15.692 1.00 54.42 H new ATOM 0 HA LYS A 113 -9.355 2.053 -14.944 1.00 14.21 H new ATOM 0 HB2 LYS A 113 -8.073 2.394 -16.893 1.00 4.44 H new ATOM 0 HB3 LYS A 113 -7.489 0.868 -16.261 1.00 4.44 H new ATOM 0 HG2 LYS A 113 -9.448 1.186 -18.569 1.00 0.40 H new ATOM 0 HG3 LYS A 113 -7.737 0.842 -18.726 1.00 0.40 H new ATOM 0 HD2 LYS A 113 -8.057 -1.306 -17.506 1.00 14.35 H new ATOM 0 HD3 LYS A 113 -9.768 -0.962 -17.349 1.00 14.35 H new ATOM 0 HE2 LYS A 113 -9.959 -0.888 -19.851 1.00 11.31 H new ATOM 0 HE3 LYS A 113 -8.259 -1.299 -19.976 1.00 11.31 H new ATOM 0 HZ1 LYS A 113 -9.651 -3.249 -20.212 1.00 12.12 H new ATOM 0 HZ2 LYS A 113 -8.704 -3.380 -18.809 1.00 12.12 H new ATOM 0 HZ3 LYS A 113 -10.351 -2.983 -18.688 1.00 12.12 H new ATOM 1856 N LYS A 114 -11.964 1.134 -15.937 1.00 2.54 N ATOM 1857 CA LYS A 114 -13.293 1.384 -16.515 1.00 43.35 C ATOM 1858 C LYS A 114 -13.727 2.845 -16.320 1.00 71.42 C ATOM 1859 O LYS A 114 -13.825 3.326 -15.191 1.00 13.32 O ATOM 1860 CB LYS A 114 -14.331 0.455 -15.870 1.00 42.33 C ATOM 1861 CG LYS A 114 -14.013 -1.030 -16.016 1.00 61.12 C ATOM 1862 CD LYS A 114 -15.074 -1.907 -15.347 1.00 64.12 C ATOM 1863 CE LYS A 114 -15.193 -1.624 -13.851 1.00 10.15 C ATOM 1864 NZ LYS A 114 -16.229 -2.470 -13.202 1.00 51.21 N ATOM 0 H LYS A 114 -11.971 0.505 -15.134 1.00 2.54 H new ATOM 0 HA LYS A 114 -13.230 1.184 -17.585 1.00 43.35 H new ATOM 0 HB2 LYS A 114 -14.410 0.696 -14.810 1.00 42.33 H new ATOM 0 HB3 LYS A 114 -15.306 0.652 -16.315 1.00 42.33 H new ATOM 0 HG2 LYS A 114 -13.945 -1.285 -17.074 1.00 61.12 H new ATOM 0 HG3 LYS A 114 -13.038 -1.238 -15.575 1.00 61.12 H new ATOM 0 HD2 LYS A 114 -16.038 -1.737 -15.826 1.00 64.12 H new ATOM 0 HD3 LYS A 114 -14.824 -2.957 -15.498 1.00 64.12 H new ATOM 0 HE2 LYS A 114 -14.230 -1.800 -13.372 1.00 10.15 H new ATOM 0 HE3 LYS A 114 -15.437 -0.573 -13.700 1.00 10.15 H new ATOM 0 HZ1 LYS A 114 -16.276 -2.245 -12.188 1.00 51.21 H new ATOM 0 HZ2 LYS A 114 -17.153 -2.285 -13.641 1.00 51.21 H new ATOM 0 HZ3 LYS A 114 -15.983 -3.473 -13.323 1.00 51.21 H new ATOM 1878 N TRP A 115 -14.003 3.539 -17.424 1.00 11.01 N ATOM 1879 CA TRP A 115 -14.422 4.945 -17.371 1.00 14.33 C ATOM 1880 C TRP A 115 -15.860 5.079 -16.842 1.00 75.34 C ATOM 1881 O TRP A 115 -16.136 5.902 -15.967 1.00 44.42 O ATOM 1882 CB TRP A 115 -14.324 5.584 -18.761 1.00 55.41 C ATOM 1883 CG TRP A 115 -13.012 5.344 -19.448 1.00 34.44 C ATOM 1884 CD1 TRP A 115 -12.802 4.589 -20.566 1.00 71.22 C ATOM 1885 CD2 TRP A 115 -11.729 5.850 -19.058 1.00 21.11 C ATOM 1886 NE1 TRP A 115 -11.471 4.604 -20.899 1.00 11.20 N ATOM 1887 CE2 TRP A 115 -10.791 5.369 -19.989 1.00 41.54 C ATOM 1888 CE3 TRP A 115 -11.284 6.664 -18.012 1.00 73.31 C ATOM 1889 CZ2 TRP A 115 -9.435 5.674 -19.907 1.00 33.51 C ATOM 1890 CZ3 TRP A 115 -9.937 6.967 -17.934 1.00 11.02 C ATOM 1891 CH2 TRP A 115 -9.027 6.473 -18.875 1.00 73.32 C ATOM 0 H TRP A 115 -13.945 3.153 -18.367 1.00 11.01 H new ATOM 0 HA TRP A 115 -13.752 5.464 -16.686 1.00 14.33 H new ATOM 0 HB2 TRP A 115 -15.127 5.195 -19.387 1.00 55.41 H new ATOM 0 HB3 TRP A 115 -14.484 6.658 -18.669 1.00 55.41 H new ATOM 0 HD1 TRP A 115 -13.570 4.058 -21.108 1.00 71.22 H new ATOM 0 HE1 TRP A 115 -11.055 4.123 -21.696 1.00 11.20 H new ATOM 0 HE3 TRP A 115 -11.978 7.048 -17.280 1.00 73.31 H new ATOM 0 HZ2 TRP A 115 -8.731 5.293 -20.632 1.00 33.51 H new ATOM 0 HZ3 TRP A 115 -9.581 7.597 -17.132 1.00 11.02 H new ATOM 0 HH2 TRP A 115 -7.981 6.728 -18.784 1.00 73.32 H new ATOM 1902 N ILE A 116 -16.765 4.265 -17.398 1.00 53.13 N ATOM 1903 CA ILE A 116 -18.190 4.257 -17.016 1.00 64.21 C ATOM 1904 C ILE A 116 -18.866 5.631 -17.259 1.00 24.34 C ATOM 1905 O ILE A 116 -19.372 5.851 -18.384 1.00 37.07 O ATOM 1906 CB ILE A 116 -18.389 3.806 -15.539 1.00 50.40 C ATOM 1907 CG1 ILE A 116 -17.703 2.448 -15.297 1.00 31.33 C ATOM 1908 CG2 ILE A 116 -19.877 3.723 -15.191 1.00 74.35 C ATOM 1909 CD1 ILE A 116 -17.798 1.952 -13.866 1.00 34.01 C ATOM 1910 OXT ILE A 116 -18.877 6.488 -16.339 1.00 37.07 O ATOM 0 H ILE A 116 -16.534 3.590 -18.127 1.00 53.13 H new ATOM 0 HA ILE A 116 -18.678 3.527 -17.662 1.00 64.21 H new ATOM 0 HB ILE A 116 -17.929 4.550 -14.889 1.00 50.40 H new ATOM 0 HG12 ILE A 116 -18.149 1.705 -15.958 1.00 31.33 H new ATOM 0 HG13 ILE A 116 -16.652 2.530 -15.573 1.00 31.33 H new ATOM 0 HG21 ILE A 116 -19.991 3.406 -14.154 1.00 74.35 H new ATOM 0 HG22 ILE A 116 -20.337 4.702 -15.324 1.00 74.35 H new ATOM 0 HG23 ILE A 116 -20.364 3.001 -15.847 1.00 74.35 H new ATOM 0 HD11 ILE A 116 -17.291 0.991 -13.780 1.00 34.01 H new ATOM 0 HD12 ILE A 116 -17.326 2.673 -13.199 1.00 34.01 H new ATOM 0 HD13 ILE A 116 -18.846 1.835 -13.590 1.00 34.01 H new TER 1922 ILE A 116