USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1066 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 91 GLN : amide:sc= 2.02 K(o=2.9,f=0.88) USER MOD Set 1.2: A 93 THR OG1 : rot 159:sc= 0.876 USER MOD Set 2.1: A 25 ASN : amide:sc= 1.03 K(o=1.2,f=-6.3!) USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0.215 USER MOD Single : A 1 ALA N :NH3+ -138:sc= -0.0565 (180deg=-2.19!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -13:sc= 1.14 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.043 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 1.03 K(o=1,f=-0.035) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.27) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 2.05 (180deg=1.33) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.654 K(o=0.65,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00599 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.9!) USER MOD Single : A 61 GLN : amide:sc= -0.152 K(o=-0.15,f=-3.1!) USER MOD Single : A 62 TYR OH : rot -56:sc= 0.364 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.157 F(o=-0.97,f=-0.16) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= 1.39 (180deg=1.09) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0303 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= 0.55 K(o=0.55,f=0) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.409 X(o=-0.41,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN :FLIP amide:sc= -0.334 F(o=-1.3,f=-0.33) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot -43:sc= 0.00956 USER MOD Single : A 139 THR OG1 : rot 160:sc= -0.0106 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.673 -24.024 -2.403 1.00 0.00 N ATOM 2 CA ALA A 1 -6.356 -22.818 -1.909 1.00 0.00 C ATOM 3 C ALA A 1 -5.982 -22.644 -0.447 1.00 0.00 C ATOM 4 O ALA A 1 -5.760 -23.637 0.249 1.00 0.00 O ATOM 5 CB ALA A 1 -7.874 -22.911 -2.075 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.291 -23.842 -3.353 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.895 -24.271 -1.758 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.350 -24.813 -2.447 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.038 -21.954 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.338 -22.000 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.118 -23.032 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.249 -23.768 -1.515 1.00 0.00 H new ATOM 11 N THR A 2 -5.860 -21.408 0.030 1.00 0.00 N ATOM 12 CA THR A 2 -5.192 -21.133 1.304 1.00 0.00 C ATOM 13 C THR A 2 -5.852 -19.962 2.032 1.00 0.00 C ATOM 14 O THR A 2 -6.651 -19.235 1.433 1.00 0.00 O ATOM 15 CB THR A 2 -3.674 -20.937 1.061 1.00 0.00 C ATOM 16 OG1 THR A 2 -3.376 -20.509 -0.265 1.00 0.00 O ATOM 17 CG2 THR A 2 -2.921 -22.253 1.274 1.00 0.00 C ATOM 0 H THR A 2 -6.215 -20.578 -0.446 1.00 0.00 H new ATOM 0 HA THR A 2 -5.303 -21.988 1.971 1.00 0.00 H new ATOM 0 HB THR A 2 -3.363 -20.170 1.771 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.407 -20.399 -0.363 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.857 -22.096 1.099 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.073 -22.598 2.297 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.296 -23.004 0.578 1.00 0.00 H new ATOM 25 N SER A 3 -5.530 -19.779 3.316 1.00 0.00 N ATOM 26 CA SER A 3 -5.767 -18.531 4.019 1.00 0.00 C ATOM 27 C SER A 3 -4.440 -18.033 4.602 1.00 0.00 C ATOM 28 O SER A 3 -3.956 -18.491 5.641 1.00 0.00 O ATOM 29 CB SER A 3 -6.845 -18.695 5.091 1.00 0.00 C ATOM 30 OG SER A 3 -8.081 -19.108 4.532 1.00 0.00 O ATOM 0 H SER A 3 -5.096 -20.500 3.892 1.00 0.00 H new ATOM 0 HA SER A 3 -6.145 -17.783 3.323 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.516 -19.427 5.829 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.981 -17.751 5.618 1.00 0.00 H new ATOM 0 HG SER A 3 -8.746 -19.205 5.245 1.00 0.00 H new ATOM 36 N THR A 4 -3.906 -17.000 3.966 1.00 0.00 N ATOM 37 CA THR A 4 -2.723 -16.276 4.377 1.00 0.00 C ATOM 38 C THR A 4 -3.144 -14.839 4.619 1.00 0.00 C ATOM 39 O THR A 4 -3.741 -14.202 3.740 1.00 0.00 O ATOM 40 CB THR A 4 -1.643 -16.347 3.295 1.00 0.00 C ATOM 41 OG1 THR A 4 -1.550 -17.642 2.764 1.00 0.00 O ATOM 42 CG2 THR A 4 -0.281 -15.929 3.857 1.00 0.00 C ATOM 0 H THR A 4 -4.311 -16.630 3.106 1.00 0.00 H new ATOM 0 HA THR A 4 -2.299 -16.712 5.282 1.00 0.00 H new ATOM 0 HB THR A 4 -1.928 -15.657 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.855 -17.663 2.073 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.471 -15.987 3.070 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.339 -14.906 4.228 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.004 -16.596 4.673 1.00 0.00 H new ATOM 50 N VAL A 5 -2.818 -14.346 5.802 1.00 0.00 N ATOM 51 CA VAL A 5 -3.123 -13.019 6.285 1.00 0.00 C ATOM 52 C VAL A 5 -1.786 -12.296 6.396 1.00 0.00 C ATOM 53 O VAL A 5 -0.850 -12.882 6.939 1.00 0.00 O ATOM 54 CB VAL A 5 -3.891 -13.185 7.613 1.00 0.00 C ATOM 55 CG1 VAL A 5 -3.323 -14.254 8.567 1.00 0.00 C ATOM 56 CG2 VAL A 5 -3.945 -11.881 8.397 1.00 0.00 C ATOM 0 H VAL A 5 -2.303 -14.898 6.488 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.763 -12.421 5.636 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.880 -13.507 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.931 -14.295 9.471 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.339 -15.226 8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.297 -13.998 8.831 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.494 -12.037 9.326 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.931 -11.551 8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.449 -11.119 7.802 1.00 0.00 H new ATOM 66 N THR A 6 -1.657 -11.073 5.871 1.00 0.00 N ATOM 67 CA THR A 6 -0.401 -10.337 5.948 1.00 0.00 C ATOM 68 C THR A 6 -0.660 -8.828 5.978 1.00 0.00 C ATOM 69 O THR A 6 -1.739 -8.371 5.589 1.00 0.00 O ATOM 70 CB THR A 6 0.529 -10.796 4.794 1.00 0.00 C ATOM 71 OG1 THR A 6 1.821 -11.155 5.239 1.00 0.00 O ATOM 72 CG2 THR A 6 0.677 -9.789 3.651 1.00 0.00 C ATOM 0 H THR A 6 -2.408 -10.577 5.390 1.00 0.00 H new ATOM 0 HA THR A 6 0.117 -10.559 6.881 1.00 0.00 H new ATOM 0 HB THR A 6 0.013 -11.673 4.403 1.00 0.00 H new ATOM 0 HG1 THR A 6 1.949 -10.841 6.159 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.345 -10.196 2.892 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.300 -9.594 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.092 -8.858 4.038 1.00 0.00 H new ATOM 80 N GLY A 7 0.357 -8.069 6.386 1.00 0.00 N ATOM 81 CA GLY A 7 0.378 -6.618 6.396 1.00 0.00 C ATOM 82 C GLY A 7 1.098 -6.119 7.646 1.00 0.00 C ATOM 83 O GLY A 7 1.266 -6.871 8.612 1.00 0.00 O ATOM 0 H GLY A 7 1.226 -8.474 6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.881 -6.246 5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.641 -6.230 6.373 1.00 0.00 H new ATOM 87 N GLY A 8 1.459 -4.836 7.648 1.00 0.00 N ATOM 88 CA GLY A 8 2.157 -4.164 8.737 1.00 0.00 C ATOM 89 C GLY A 8 1.821 -2.673 8.720 1.00 0.00 C ATOM 90 O GLY A 8 0.767 -2.278 8.205 1.00 0.00 O ATOM 0 H GLY A 8 1.265 -4.216 6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.867 -4.601 9.692 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.233 -4.306 8.635 1.00 0.00 H new ATOM 94 N TYR A 9 2.737 -1.853 9.236 1.00 0.00 N ATOM 95 CA TYR A 9 2.679 -0.393 9.197 1.00 0.00 C ATOM 96 C TYR A 9 3.393 0.049 7.922 1.00 0.00 C ATOM 97 O TYR A 9 4.308 -0.637 7.460 1.00 0.00 O ATOM 98 CB TYR A 9 3.463 0.205 10.387 1.00 0.00 C ATOM 99 CG TYR A 9 2.666 0.455 11.651 1.00 0.00 C ATOM 100 CD1 TYR A 9 1.802 1.561 11.698 1.00 0.00 C ATOM 101 CD2 TYR A 9 2.829 -0.348 12.797 1.00 0.00 C ATOM 102 CE1 TYR A 9 1.055 1.833 12.856 1.00 0.00 C ATOM 103 CE2 TYR A 9 2.072 -0.095 13.956 1.00 0.00 C ATOM 104 CZ TYR A 9 1.166 0.990 13.980 1.00 0.00 C ATOM 105 OH TYR A 9 0.390 1.221 15.073 1.00 0.00 O ATOM 0 H TYR A 9 3.570 -2.201 9.710 1.00 0.00 H new ATOM 0 HA TYR A 9 1.641 -0.063 9.236 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.287 -0.467 10.628 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.905 1.149 10.067 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.711 2.207 10.837 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.539 -1.162 12.786 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.396 2.688 12.885 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.183 -0.728 14.824 1.00 0.00 H new ATOM 0 HH TYR A 9 0.586 0.551 15.761 1.00 0.00 H new ATOM 115 N ALA A 10 3.027 1.221 7.404 1.00 0.00 N ATOM 116 CA ALA A 10 3.716 1.892 6.312 1.00 0.00 C ATOM 117 C ALA A 10 4.125 3.280 6.803 1.00 0.00 C ATOM 118 O ALA A 10 3.432 3.868 7.640 1.00 0.00 O ATOM 119 CB ALA A 10 2.818 1.942 5.073 1.00 0.00 C ATOM 0 H ALA A 10 2.219 1.742 7.745 1.00 0.00 H new ATOM 0 HA ALA A 10 4.613 1.349 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.344 2.446 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.565 0.927 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.904 2.488 5.308 1.00 0.00 H new ATOM 125 N GLN A 11 5.254 3.806 6.329 1.00 0.00 N ATOM 126 CA GLN A 11 5.919 4.965 6.922 1.00 0.00 C ATOM 127 C GLN A 11 6.400 5.879 5.799 1.00 0.00 C ATOM 128 O GLN A 11 7.411 5.563 5.170 1.00 0.00 O ATOM 129 CB GLN A 11 7.084 4.501 7.824 1.00 0.00 C ATOM 130 CG GLN A 11 6.600 3.796 9.102 1.00 0.00 C ATOM 131 CD GLN A 11 7.737 3.125 9.871 1.00 0.00 C ATOM 132 OE1 GLN A 11 8.537 3.781 10.536 1.00 0.00 O ATOM 133 NE2 GLN A 11 7.825 1.809 9.816 1.00 0.00 N ATOM 0 H GLN A 11 5.738 3.434 5.512 1.00 0.00 H new ATOM 0 HA GLN A 11 5.225 5.523 7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.726 3.824 7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.692 5.363 8.098 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.108 4.522 9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.853 3.047 8.838 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.156 1.276 9.261 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.562 1.325 10.329 1.00 0.00 H new ATOM 142 N SER A 12 5.695 6.993 5.585 1.00 0.00 N ATOM 143 CA SER A 12 5.988 8.008 4.579 1.00 0.00 C ATOM 144 C SER A 12 6.269 9.330 5.295 1.00 0.00 C ATOM 145 O SER A 12 5.749 9.564 6.385 1.00 0.00 O ATOM 146 CB SER A 12 4.791 8.153 3.625 1.00 0.00 C ATOM 147 OG SER A 12 4.433 6.908 3.052 1.00 0.00 O ATOM 0 H SER A 12 4.867 7.219 6.136 1.00 0.00 H new ATOM 0 HA SER A 12 6.859 7.720 3.991 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.939 8.564 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.038 8.862 2.834 1.00 0.00 H new ATOM 0 HG SER A 12 3.668 7.032 2.452 1.00 0.00 H new ATOM 153 N ASP A 13 7.095 10.196 4.712 1.00 0.00 N ATOM 154 CA ASP A 13 7.243 11.604 5.099 1.00 0.00 C ATOM 155 C ASP A 13 7.355 12.418 3.805 1.00 0.00 C ATOM 156 O ASP A 13 7.360 11.819 2.725 1.00 0.00 O ATOM 157 CB ASP A 13 8.411 11.826 6.074 1.00 0.00 C ATOM 158 CG ASP A 13 8.195 13.053 6.973 1.00 0.00 C ATOM 159 OD1 ASP A 13 7.450 13.990 6.609 1.00 0.00 O ATOM 160 OD2 ASP A 13 8.746 13.050 8.102 1.00 0.00 O ATOM 0 H ASP A 13 7.699 9.933 3.934 1.00 0.00 H new ATOM 0 HA ASP A 13 6.373 11.942 5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.535 10.940 6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.335 11.951 5.509 1.00 0.00 H new ATOM 165 N ALA A 14 7.350 13.748 3.869 1.00 0.00 N ATOM 166 CA ALA A 14 7.570 14.631 2.734 1.00 0.00 C ATOM 167 C ALA A 14 8.803 15.513 2.960 1.00 0.00 C ATOM 168 O ALA A 14 9.243 15.696 4.090 1.00 0.00 O ATOM 169 CB ALA A 14 6.309 15.468 2.520 1.00 0.00 C ATOM 0 H ALA A 14 7.187 14.253 4.740 1.00 0.00 H new ATOM 0 HA ALA A 14 7.766 14.043 1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.456 16.137 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.464 14.809 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.106 16.056 3.415 1.00 0.00 H new ATOM 175 N GLN A 15 9.302 16.138 1.884 1.00 0.00 N ATOM 176 CA GLN A 15 10.490 17.004 1.880 1.00 0.00 C ATOM 177 C GLN A 15 10.430 18.112 2.945 1.00 0.00 C ATOM 178 O GLN A 15 11.472 18.593 3.394 1.00 0.00 O ATOM 179 CB GLN A 15 10.655 17.643 0.481 1.00 0.00 C ATOM 180 CG GLN A 15 12.044 18.266 0.222 1.00 0.00 C ATOM 181 CD GLN A 15 12.008 19.360 -0.847 1.00 0.00 C ATOM 182 OE1 GLN A 15 12.101 19.097 -2.043 1.00 0.00 O ATOM 183 NE2 GLN A 15 11.882 20.617 -0.442 1.00 0.00 N ATOM 0 H GLN A 15 8.875 16.052 0.962 1.00 0.00 H new ATOM 0 HA GLN A 15 11.346 16.374 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.465 16.883 -0.277 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.895 18.415 0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.430 18.684 1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.737 17.484 -0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.805 20.827 0.553 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.862 21.374 -1.126 1.00 0.00 H new ATOM 192 N GLY A 16 9.240 18.566 3.339 1.00 0.00 N ATOM 193 CA GLY A 16 9.061 19.521 4.418 1.00 0.00 C ATOM 194 C GLY A 16 8.043 18.931 5.367 1.00 0.00 C ATOM 195 O GLY A 16 8.354 18.020 6.124 1.00 0.00 O ATOM 0 H GLY A 16 8.364 18.272 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.005 19.705 4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.717 20.480 4.031 1.00 0.00 H new ATOM 199 N GLN A 17 6.810 19.410 5.290 1.00 0.00 N ATOM 200 CA GLN A 17 5.662 18.823 5.943 1.00 0.00 C ATOM 201 C GLN A 17 4.538 18.868 4.913 1.00 0.00 C ATOM 202 O GLN A 17 4.303 19.923 4.319 1.00 0.00 O ATOM 203 CB GLN A 17 5.308 19.603 7.224 1.00 0.00 C ATOM 204 CG GLN A 17 6.026 19.109 8.494 1.00 0.00 C ATOM 205 CD GLN A 17 7.301 19.866 8.884 1.00 0.00 C ATOM 206 OE1 GLN A 17 7.275 20.826 9.652 1.00 0.00 O ATOM 207 NE2 GLN A 17 8.472 19.419 8.477 1.00 0.00 N ATOM 0 H GLN A 17 6.580 20.246 4.752 1.00 0.00 H new ATOM 0 HA GLN A 17 5.849 17.799 6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.550 20.655 7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.232 19.543 7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.326 19.164 9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.279 18.057 8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.521 18.624 7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.329 19.868 8.799 1.00 0.00 H new ATOM 216 N MET A 18 3.897 17.720 4.689 1.00 0.00 N ATOM 217 CA MET A 18 2.669 17.586 3.912 1.00 0.00 C ATOM 218 C MET A 18 1.801 16.494 4.542 1.00 0.00 C ATOM 219 O MET A 18 0.646 16.750 4.885 1.00 0.00 O ATOM 220 CB MET A 18 2.945 17.240 2.437 1.00 0.00 C ATOM 221 CG MET A 18 3.410 18.409 1.564 1.00 0.00 C ATOM 222 SD MET A 18 5.196 18.633 1.362 1.00 0.00 S ATOM 223 CE MET A 18 5.161 19.649 -0.141 1.00 0.00 C ATOM 0 H MET A 18 4.232 16.829 5.057 1.00 0.00 H new ATOM 0 HA MET A 18 2.154 18.547 3.928 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.703 16.458 2.401 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.036 16.824 2.003 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.971 18.287 0.574 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.000 19.328 1.983 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.180 19.898 -0.436 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.677 19.094 -0.944 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.605 20.566 0.053 1.00 0.00 H new ATOM 233 N ASN A 19 2.355 15.291 4.733 1.00 0.00 N ATOM 234 CA ASN A 19 1.692 14.126 5.306 1.00 0.00 C ATOM 235 C ASN A 19 2.609 13.560 6.389 1.00 0.00 C ATOM 236 O ASN A 19 3.826 13.570 6.218 1.00 0.00 O ATOM 237 CB ASN A 19 1.384 13.073 4.221 1.00 0.00 C ATOM 238 CG ASN A 19 2.587 12.219 3.817 1.00 0.00 C ATOM 239 OD1 ASN A 19 2.668 11.049 4.183 1.00 0.00 O ATOM 240 ND2 ASN A 19 3.494 12.725 3.001 1.00 0.00 N ATOM 0 H ASN A 19 3.324 15.100 4.478 1.00 0.00 H new ATOM 0 HA ASN A 19 0.733 14.410 5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.592 12.417 4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.000 13.581 3.336 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.265 12.144 2.672 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.423 13.697 2.699 1.00 0.00 H new ATOM 247 N LYS A 20 2.040 13.080 7.494 1.00 0.00 N ATOM 248 CA LYS A 20 2.777 12.342 8.519 1.00 0.00 C ATOM 249 C LYS A 20 2.854 10.872 8.139 1.00 0.00 C ATOM 250 O LYS A 20 1.936 10.361 7.486 1.00 0.00 O ATOM 251 CB LYS A 20 2.049 12.445 9.874 1.00 0.00 C ATOM 252 CG LYS A 20 2.641 13.536 10.771 1.00 0.00 C ATOM 253 CD LYS A 20 1.962 13.492 12.149 1.00 0.00 C ATOM 254 CE LYS A 20 2.738 14.319 13.173 1.00 0.00 C ATOM 255 NZ LYS A 20 3.849 13.569 13.795 1.00 0.00 N ATOM 0 H LYS A 20 1.048 13.193 7.705 1.00 0.00 H new ATOM 0 HA LYS A 20 3.777 12.769 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.993 12.653 9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.105 11.485 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.716 13.389 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.497 14.515 10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.943 13.871 12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.891 12.459 12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.135 15.210 12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.055 14.658 13.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.339 14.179 14.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.472 12.732 14.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.519 13.267 13.059 1.00 0.00 H new ATOM 269 N MET A 21 3.852 10.175 8.688 1.00 0.00 N ATOM 270 CA MET A 21 3.864 8.726 8.775 1.00 0.00 C ATOM 271 C MET A 21 2.609 8.263 9.525 1.00 0.00 C ATOM 272 O MET A 21 2.507 8.401 10.745 1.00 0.00 O ATOM 273 CB MET A 21 5.189 8.177 9.354 1.00 0.00 C ATOM 274 CG MET A 21 5.487 8.410 10.848 1.00 0.00 C ATOM 275 SD MET A 21 6.970 9.371 11.214 1.00 0.00 S ATOM 276 CE MET A 21 7.125 9.118 13.009 1.00 0.00 C ATOM 0 H MET A 21 4.682 10.614 9.088 1.00 0.00 H new ATOM 0 HA MET A 21 3.826 8.300 7.772 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.210 7.102 9.175 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.008 8.612 8.780 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.631 8.915 11.295 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.576 7.440 11.337 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.000 9.654 13.378 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.232 9.494 13.508 1.00 0.00 H new ATOM 0 HE3 MET A 21 7.237 8.054 13.218 1.00 0.00 H new ATOM 286 N GLY A 22 1.633 7.744 8.796 1.00 0.00 N ATOM 287 CA GLY A 22 0.461 7.092 9.334 1.00 0.00 C ATOM 288 C GLY A 22 -0.097 6.255 8.210 1.00 0.00 C ATOM 289 O GLY A 22 -0.992 6.692 7.490 1.00 0.00 O ATOM 0 H GLY A 22 1.641 7.769 7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.718 6.472 10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.271 7.824 9.677 1.00 0.00 H new ATOM 293 N GLY A 23 0.525 5.103 7.998 1.00 0.00 N ATOM 294 CA GLY A 23 0.286 4.219 6.887 1.00 0.00 C ATOM 295 C GLY A 23 0.052 2.815 7.422 1.00 0.00 C ATOM 296 O GLY A 23 0.575 2.430 8.471 1.00 0.00 O ATOM 0 H GLY A 23 1.243 4.751 8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.580 4.555 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.138 4.227 6.208 1.00 0.00 H new ATOM 300 N PHE A 24 -0.706 2.027 6.677 1.00 0.00 N ATOM 301 CA PHE A 24 -0.940 0.611 6.890 1.00 0.00 C ATOM 302 C PHE A 24 -1.062 0.006 5.496 1.00 0.00 C ATOM 303 O PHE A 24 -1.429 0.711 4.548 1.00 0.00 O ATOM 304 CB PHE A 24 -2.247 0.393 7.686 1.00 0.00 C ATOM 305 CG PHE A 24 -2.078 0.248 9.189 1.00 0.00 C ATOM 306 CD1 PHE A 24 -2.053 1.378 10.031 1.00 0.00 C ATOM 307 CD2 PHE A 24 -1.965 -1.037 9.756 1.00 0.00 C ATOM 308 CE1 PHE A 24 -1.883 1.219 11.419 1.00 0.00 C ATOM 309 CE2 PHE A 24 -1.803 -1.195 11.143 1.00 0.00 C ATOM 310 CZ PHE A 24 -1.754 -0.065 11.977 1.00 0.00 C ATOM 0 H PHE A 24 -1.203 2.381 5.860 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.136 0.150 7.464 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.915 1.232 7.492 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.740 -0.501 7.305 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.164 2.367 9.611 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.003 -1.908 9.119 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.851 2.088 12.059 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.716 -2.184 11.568 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.618 -0.182 13.042 1.00 0.00 H new ATOM 320 N ASN A 25 -0.845 -1.301 5.388 1.00 0.00 N ATOM 321 CA ASN A 25 -1.427 -2.128 4.360 1.00 0.00 C ATOM 322 C ASN A 25 -1.894 -3.392 5.069 1.00 0.00 C ATOM 323 O ASN A 25 -1.264 -3.835 6.036 1.00 0.00 O ATOM 324 CB ASN A 25 -0.379 -2.432 3.298 1.00 0.00 C ATOM 325 CG ASN A 25 -0.946 -3.226 2.137 1.00 0.00 C ATOM 326 OD1 ASN A 25 -2.154 -3.298 1.921 1.00 0.00 O ATOM 327 ND2 ASN A 25 -0.074 -3.810 1.346 1.00 0.00 N ATOM 0 H ASN A 25 -0.245 -1.817 6.031 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.260 -1.644 3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.039 -1.497 2.925 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.441 -2.990 3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.395 -4.336 0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.924 -3.737 1.545 1.00 0.00 H new ATOM 334 N LEU A 26 -3.026 -3.924 4.635 1.00 0.00 N ATOM 335 CA LEU A 26 -3.651 -5.149 5.101 1.00 0.00 C ATOM 336 C LEU A 26 -4.550 -5.521 3.934 1.00 0.00 C ATOM 337 O LEU A 26 -5.425 -4.726 3.581 1.00 0.00 O ATOM 338 CB LEU A 26 -4.478 -4.881 6.381 1.00 0.00 C ATOM 339 CG LEU A 26 -5.083 -6.101 7.111 1.00 0.00 C ATOM 340 CD1 LEU A 26 -5.826 -7.093 6.211 1.00 0.00 C ATOM 341 CD2 LEU A 26 -4.038 -6.852 7.934 1.00 0.00 C ATOM 0 H LEU A 26 -3.569 -3.478 3.896 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.943 -5.934 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.841 -4.349 7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.294 -4.208 6.119 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.830 -5.659 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.213 -7.913 6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.653 -6.585 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.141 -7.488 5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.507 -7.702 8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.245 -7.208 7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.615 -6.183 8.683 1.00 0.00 H new ATOM 353 N LYS A 27 -4.344 -6.682 3.319 1.00 0.00 N ATOM 354 CA LYS A 27 -5.298 -7.249 2.374 1.00 0.00 C ATOM 355 C LYS A 27 -5.219 -8.767 2.453 1.00 0.00 C ATOM 356 O LYS A 27 -4.379 -9.299 3.184 1.00 0.00 O ATOM 357 CB LYS A 27 -5.028 -6.707 0.960 1.00 0.00 C ATOM 358 CG LYS A 27 -6.315 -6.292 0.230 1.00 0.00 C ATOM 359 CD LYS A 27 -6.899 -4.965 0.743 1.00 0.00 C ATOM 360 CE LYS A 27 -8.164 -4.626 -0.049 1.00 0.00 C ATOM 361 NZ LYS A 27 -8.864 -3.436 0.480 1.00 0.00 N ATOM 0 H LYS A 27 -3.512 -7.255 3.462 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.316 -6.953 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.359 -5.849 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.513 -7.469 0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.108 -6.203 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.061 -7.079 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.132 -5.044 1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.165 -4.166 0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.900 -4.454 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.841 -5.480 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.871 -3.484 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.770 -3.409 1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.444 -2.576 0.072 1.00 0.00 H new ATOM 375 N TYR A 28 -6.077 -9.466 1.712 1.00 0.00 N ATOM 376 CA TYR A 28 -6.234 -10.906 1.819 1.00 0.00 C ATOM 377 C TYR A 28 -5.539 -11.499 0.597 1.00 0.00 C ATOM 378 O TYR A 28 -5.776 -11.020 -0.515 1.00 0.00 O ATOM 379 CB TYR A 28 -7.740 -11.232 1.876 1.00 0.00 C ATOM 380 CG TYR A 28 -8.147 -12.114 3.036 1.00 0.00 C ATOM 381 CD1 TYR A 28 -8.520 -11.564 4.279 1.00 0.00 C ATOM 382 CD2 TYR A 28 -8.152 -13.505 2.862 1.00 0.00 C ATOM 383 CE1 TYR A 28 -8.862 -12.409 5.353 1.00 0.00 C ATOM 384 CE2 TYR A 28 -8.484 -14.354 3.927 1.00 0.00 C ATOM 385 CZ TYR A 28 -8.833 -13.814 5.183 1.00 0.00 C ATOM 386 OH TYR A 28 -9.128 -14.660 6.206 1.00 0.00 O ATOM 0 H TYR A 28 -6.687 -9.039 1.015 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.789 -11.327 2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.299 -10.298 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.029 -11.721 0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.544 -10.492 4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.898 -13.926 1.900 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.146 -11.985 6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.473 -15.425 3.786 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.055 -15.587 5.896 1.00 0.00 H new ATOM 396 N ARG A 29 -4.688 -12.519 0.766 1.00 0.00 N ATOM 397 CA ARG A 29 -4.035 -13.167 -0.375 1.00 0.00 C ATOM 398 C ARG A 29 -4.871 -14.371 -0.763 1.00 0.00 C ATOM 399 O ARG A 29 -4.876 -15.354 -0.022 1.00 0.00 O ATOM 400 CB ARG A 29 -2.597 -13.591 -0.025 1.00 0.00 C ATOM 401 CG ARG A 29 -1.691 -12.380 0.236 1.00 0.00 C ATOM 402 CD ARG A 29 -1.134 -12.349 1.665 1.00 0.00 C ATOM 403 NE ARG A 29 0.036 -13.226 1.853 1.00 0.00 N ATOM 404 CZ ARG A 29 1.295 -12.906 1.524 1.00 0.00 C ATOM 405 NH1 ARG A 29 1.534 -11.846 0.760 1.00 0.00 N ATOM 406 NH2 ARG A 29 2.302 -13.654 1.963 1.00 0.00 N ATOM 0 H ARG A 29 -4.438 -12.910 1.674 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.965 -12.469 -1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.612 -14.230 0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.184 -14.184 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.862 -12.393 -0.472 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.254 -11.465 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.857 -11.326 1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.919 -12.647 2.360 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.125 -14.145 2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.759 -11.275 0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.493 -11.603 0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.115 -14.468 2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.262 -13.414 1.715 1.00 0.00 H new ATOM 420 N TYR A 30 -5.556 -14.306 -1.900 1.00 0.00 N ATOM 421 CA TYR A 30 -6.355 -15.419 -2.390 1.00 0.00 C ATOM 422 C TYR A 30 -5.526 -16.134 -3.449 1.00 0.00 C ATOM 423 O TYR A 30 -4.777 -15.474 -4.171 1.00 0.00 O ATOM 424 CB TYR A 30 -7.689 -14.911 -2.966 1.00 0.00 C ATOM 425 CG TYR A 30 -8.721 -16.018 -3.022 1.00 0.00 C ATOM 426 CD1 TYR A 30 -8.736 -16.931 -4.093 1.00 0.00 C ATOM 427 CD2 TYR A 30 -9.580 -16.216 -1.926 1.00 0.00 C ATOM 428 CE1 TYR A 30 -9.534 -18.084 -4.023 1.00 0.00 C ATOM 429 CE2 TYR A 30 -10.375 -17.368 -1.848 1.00 0.00 C ATOM 430 CZ TYR A 30 -10.320 -18.331 -2.876 1.00 0.00 C ATOM 431 OH TYR A 30 -10.975 -19.511 -2.746 1.00 0.00 O ATOM 0 H TYR A 30 -5.572 -13.484 -2.504 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.605 -16.108 -1.583 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.064 -14.092 -2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.527 -14.511 -3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.133 -16.744 -4.969 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.627 -15.477 -1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.547 -18.782 -4.847 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.029 -17.518 -1.001 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.468 -19.520 -1.899 1.00 0.00 H new ATOM 441 N GLU A 31 -5.673 -17.451 -3.577 1.00 0.00 N ATOM 442 CA GLU A 31 -5.056 -18.225 -4.643 1.00 0.00 C ATOM 443 C GLU A 31 -6.083 -19.190 -5.237 1.00 0.00 C ATOM 444 O GLU A 31 -6.897 -19.770 -4.503 1.00 0.00 O ATOM 445 CB GLU A 31 -3.817 -18.940 -4.087 1.00 0.00 C ATOM 446 CG GLU A 31 -2.942 -19.511 -5.209 1.00 0.00 C ATOM 447 CD GLU A 31 -1.634 -20.082 -4.680 1.00 0.00 C ATOM 448 OE1 GLU A 31 -1.661 -21.007 -3.837 1.00 0.00 O ATOM 449 OE2 GLU A 31 -0.553 -19.624 -5.112 1.00 0.00 O ATOM 0 H GLU A 31 -6.231 -18.014 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.725 -17.577 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.232 -18.242 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.129 -19.746 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.491 -20.292 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.728 -18.727 -5.936 1.00 0.00 H new ATOM 456 N GLU A 32 -6.026 -19.350 -6.561 1.00 0.00 N ATOM 457 CA GLU A 32 -6.794 -20.330 -7.323 1.00 0.00 C ATOM 458 C GLU A 32 -6.376 -21.744 -6.900 1.00 0.00 C ATOM 459 O GLU A 32 -5.316 -21.949 -6.300 1.00 0.00 O ATOM 460 CB GLU A 32 -6.516 -20.119 -8.831 1.00 0.00 C ATOM 461 CG GLU A 32 -7.695 -19.488 -9.583 1.00 0.00 C ATOM 462 CD GLU A 32 -8.780 -20.522 -9.893 1.00 0.00 C ATOM 463 OE1 GLU A 32 -9.655 -20.777 -9.032 1.00 0.00 O ATOM 464 OE2 GLU A 32 -8.715 -21.121 -10.991 1.00 0.00 O ATOM 0 H GLU A 32 -5.421 -18.779 -7.151 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.860 -20.206 -7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.638 -19.483 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.275 -21.079 -9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.120 -18.682 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.339 -19.043 -10.512 1.00 0.00 H new ATOM 471 N ASP A 33 -7.171 -22.748 -7.261 1.00 0.00 N ATOM 472 CA ASP A 33 -6.824 -24.152 -7.057 1.00 0.00 C ATOM 473 C ASP A 33 -7.098 -24.860 -8.372 1.00 0.00 C ATOM 474 O ASP A 33 -8.058 -25.616 -8.526 1.00 0.00 O ATOM 475 CB ASP A 33 -7.533 -24.737 -5.814 1.00 0.00 C ATOM 476 CG ASP A 33 -6.609 -25.551 -4.904 1.00 0.00 C ATOM 477 OD1 ASP A 33 -5.368 -25.388 -4.939 1.00 0.00 O ATOM 478 OD2 ASP A 33 -7.108 -26.157 -3.931 1.00 0.00 O ATOM 0 H ASP A 33 -8.079 -22.610 -7.706 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.771 -24.292 -6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.969 -23.921 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.357 -25.371 -6.142 1.00 0.00 H new ATOM 483 N ASN A 34 -6.299 -24.479 -9.369 1.00 0.00 N ATOM 484 CA ASN A 34 -6.247 -25.035 -10.718 1.00 0.00 C ATOM 485 C ASN A 34 -4.893 -24.675 -11.317 1.00 0.00 C ATOM 486 O ASN A 34 -4.197 -25.548 -11.830 1.00 0.00 O ATOM 487 CB ASN A 34 -7.383 -24.497 -11.610 1.00 0.00 C ATOM 488 CG ASN A 34 -8.331 -25.619 -12.004 1.00 0.00 C ATOM 489 OD1 ASN A 34 -8.319 -26.100 -13.131 1.00 0.00 O ATOM 490 ND2 ASN A 34 -9.147 -26.087 -11.078 1.00 0.00 N ATOM 0 H ASN A 34 -5.626 -23.722 -9.245 1.00 0.00 H new ATOM 0 HA ASN A 34 -6.377 -26.116 -10.664 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.932 -23.719 -11.079 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.963 -24.037 -12.505 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.778 -26.858 -11.297 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.147 -25.677 -10.144 1.00 0.00 H new ATOM 497 N SER A 35 -4.499 -23.405 -11.186 1.00 0.00 N ATOM 498 CA SER A 35 -3.224 -22.880 -11.653 1.00 0.00 C ATOM 499 C SER A 35 -2.550 -22.046 -10.558 1.00 0.00 C ATOM 500 O SER A 35 -3.239 -21.569 -9.648 1.00 0.00 O ATOM 501 CB SER A 35 -3.471 -22.040 -12.911 1.00 0.00 C ATOM 502 OG SER A 35 -3.980 -22.868 -13.936 1.00 0.00 O ATOM 0 H SER A 35 -5.080 -22.697 -10.738 1.00 0.00 H new ATOM 0 HA SER A 35 -2.552 -23.703 -11.894 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.176 -21.238 -12.693 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.543 -21.570 -13.236 1.00 0.00 H new ATOM 0 HG SER A 35 -4.140 -22.332 -14.741 1.00 0.00 H new ATOM 508 N PRO A 36 -1.220 -21.867 -10.613 1.00 0.00 N ATOM 509 CA PRO A 36 -0.473 -21.034 -9.681 1.00 0.00 C ATOM 510 C PRO A 36 -0.686 -19.562 -10.037 1.00 0.00 C ATOM 511 O PRO A 36 0.123 -18.961 -10.746 1.00 0.00 O ATOM 512 CB PRO A 36 0.989 -21.474 -9.822 1.00 0.00 C ATOM 513 CG PRO A 36 1.070 -21.943 -11.271 1.00 0.00 C ATOM 514 CD PRO A 36 -0.310 -22.530 -11.536 1.00 0.00 C ATOM 0 HA PRO A 36 -0.796 -21.145 -8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.678 -20.653 -9.625 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.238 -22.274 -9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.291 -21.118 -11.948 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.855 -22.687 -11.408 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.613 -22.361 -12.569 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.311 -23.608 -11.376 1.00 0.00 H new ATOM 522 N LEU A 37 -1.788 -18.980 -9.565 1.00 0.00 N ATOM 523 CA LEU A 37 -2.041 -17.556 -9.679 1.00 0.00 C ATOM 524 C LEU A 37 -2.664 -17.081 -8.377 1.00 0.00 C ATOM 525 O LEU A 37 -3.763 -17.513 -8.011 1.00 0.00 O ATOM 526 CB LEU A 37 -2.942 -17.241 -10.881 1.00 0.00 C ATOM 527 CG LEU A 37 -3.047 -15.719 -11.112 1.00 0.00 C ATOM 528 CD1 LEU A 37 -1.776 -15.136 -11.743 1.00 0.00 C ATOM 529 CD2 LEU A 37 -4.233 -15.425 -12.025 1.00 0.00 C ATOM 0 H LEU A 37 -2.531 -19.493 -9.091 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.104 -17.028 -9.853 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.543 -17.721 -11.774 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.936 -17.656 -10.713 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.182 -15.250 -10.137 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.900 -14.062 -11.885 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.926 -15.319 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.597 -15.612 -12.707 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.308 -14.350 -12.189 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.090 -15.929 -12.981 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.150 -15.786 -11.558 1.00 0.00 H new ATOM 541 N GLY A 38 -1.957 -16.197 -7.679 1.00 0.00 N ATOM 542 CA GLY A 38 -2.486 -15.508 -6.519 1.00 0.00 C ATOM 543 C GLY A 38 -3.020 -14.132 -6.906 1.00 0.00 C ATOM 544 O GLY A 38 -2.686 -13.581 -7.963 1.00 0.00 O ATOM 0 H GLY A 38 -0.997 -15.941 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.284 -16.100 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.706 -15.402 -5.766 1.00 0.00 H new ATOM 548 N VAL A 39 -3.812 -13.555 -6.006 1.00 0.00 N ATOM 549 CA VAL A 39 -4.348 -12.207 -6.082 1.00 0.00 C ATOM 550 C VAL A 39 -4.093 -11.573 -4.721 1.00 0.00 C ATOM 551 O VAL A 39 -4.622 -12.061 -3.712 1.00 0.00 O ATOM 552 CB VAL A 39 -5.864 -12.211 -6.394 1.00 0.00 C ATOM 553 CG1 VAL A 39 -6.310 -10.813 -6.848 1.00 0.00 C ATOM 554 CG2 VAL A 39 -6.288 -13.239 -7.445 1.00 0.00 C ATOM 0 H VAL A 39 -4.110 -14.044 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.869 -11.651 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.355 -12.498 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.378 -10.825 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.109 -10.092 -6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.760 -10.529 -7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.365 -13.175 -7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.770 -13.036 -8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.031 -14.240 -7.099 1.00 0.00 H new ATOM 564 N ILE A 40 -3.324 -10.486 -4.681 1.00 0.00 N ATOM 565 CA ILE A 40 -3.149 -9.689 -3.479 1.00 0.00 C ATOM 566 C ILE A 40 -3.471 -8.261 -3.903 1.00 0.00 C ATOM 567 O ILE A 40 -2.960 -7.780 -4.910 1.00 0.00 O ATOM 568 CB ILE A 40 -1.761 -9.975 -2.842 1.00 0.00 C ATOM 569 CG1 ILE A 40 -1.449 -9.085 -1.618 1.00 0.00 C ATOM 570 CG2 ILE A 40 -0.572 -10.044 -3.820 1.00 0.00 C ATOM 571 CD1 ILE A 40 -0.682 -7.786 -1.900 1.00 0.00 C ATOM 0 H ILE A 40 -2.805 -10.136 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.816 -9.932 -2.652 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.875 -10.997 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.391 -8.828 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.873 -9.674 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.344 -10.248 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.743 -10.840 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.475 -9.092 -4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.522 -7.248 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.281 -8.023 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.260 -7.164 -2.583 1.00 0.00 H new ATOM 583 N GLY A 41 -4.425 -7.606 -3.249 1.00 0.00 N ATOM 584 CA GLY A 41 -4.533 -6.161 -3.364 1.00 0.00 C ATOM 585 C GLY A 41 -3.565 -5.557 -2.361 1.00 0.00 C ATOM 586 O GLY A 41 -3.262 -6.190 -1.353 1.00 0.00 O ATOM 0 H GLY A 41 -5.121 -8.045 -2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.291 -5.836 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.553 -5.834 -3.160 1.00 0.00 H new ATOM 590 N SER A 42 -3.164 -4.312 -2.566 1.00 0.00 N ATOM 591 CA SER A 42 -2.614 -3.511 -1.488 1.00 0.00 C ATOM 592 C SER A 42 -3.519 -2.306 -1.301 1.00 0.00 C ATOM 593 O SER A 42 -4.221 -1.892 -2.228 1.00 0.00 O ATOM 594 CB SER A 42 -1.164 -3.124 -1.771 1.00 0.00 C ATOM 595 OG SER A 42 -0.308 -4.238 -1.603 1.00 0.00 O ATOM 0 H SER A 42 -3.210 -3.837 -3.467 1.00 0.00 H new ATOM 0 HA SER A 42 -2.585 -4.082 -0.560 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.076 -2.741 -2.788 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.859 -2.320 -1.101 1.00 0.00 H new ATOM 0 HG SER A 42 0.616 -3.971 -1.790 1.00 0.00 H new ATOM 601 N PHE A 43 -3.514 -1.786 -0.081 1.00 0.00 N ATOM 602 CA PHE A 43 -4.183 -0.576 0.345 1.00 0.00 C ATOM 603 C PHE A 43 -3.128 0.336 0.960 1.00 0.00 C ATOM 604 O PHE A 43 -2.094 -0.141 1.439 1.00 0.00 O ATOM 605 CB PHE A 43 -5.285 -0.935 1.365 1.00 0.00 C ATOM 606 CG PHE A 43 -6.707 -0.632 0.928 1.00 0.00 C ATOM 607 CD1 PHE A 43 -7.139 -0.907 -0.385 1.00 0.00 C ATOM 608 CD2 PHE A 43 -7.612 -0.074 1.851 1.00 0.00 C ATOM 609 CE1 PHE A 43 -8.457 -0.606 -0.768 1.00 0.00 C ATOM 610 CE2 PHE A 43 -8.926 0.236 1.462 1.00 0.00 C ATOM 611 CZ PHE A 43 -9.347 -0.024 0.148 1.00 0.00 C ATOM 0 H PHE A 43 -3.007 -2.232 0.684 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.662 -0.065 -0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.213 -1.999 1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.086 -0.397 2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.457 -1.349 -1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.294 0.117 2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.787 -0.824 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.611 0.674 2.173 1.00 0.00 H new ATOM 0 HZ PHE A 43 -10.353 0.223 -0.157 1.00 0.00 H new ATOM 621 N THR A 44 -3.417 1.631 0.985 1.00 0.00 N ATOM 622 CA THR A 44 -2.614 2.670 1.610 1.00 0.00 C ATOM 623 C THR A 44 -3.475 3.341 2.675 1.00 0.00 C ATOM 624 O THR A 44 -4.705 3.333 2.579 1.00 0.00 O ATOM 625 CB THR A 44 -2.079 3.635 0.535 1.00 0.00 C ATOM 626 OG1 THR A 44 -1.345 2.885 -0.409 1.00 0.00 O ATOM 627 CG2 THR A 44 -1.163 4.724 1.100 1.00 0.00 C ATOM 0 H THR A 44 -4.260 2.002 0.547 1.00 0.00 H new ATOM 0 HA THR A 44 -1.730 2.266 2.103 1.00 0.00 H new ATOM 0 HB THR A 44 -2.940 4.134 0.090 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.998 3.483 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.822 5.369 0.290 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.712 5.319 1.830 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.302 4.261 1.583 1.00 0.00 H new ATOM 635 N TYR A 45 -2.847 3.875 3.721 1.00 0.00 N ATOM 636 CA TYR A 45 -3.496 4.726 4.706 1.00 0.00 C ATOM 637 C TYR A 45 -2.739 6.059 4.719 1.00 0.00 C ATOM 638 O TYR A 45 -1.564 6.094 4.342 1.00 0.00 O ATOM 639 CB TYR A 45 -3.518 4.011 6.069 1.00 0.00 C ATOM 640 CG TYR A 45 -4.586 4.505 7.020 1.00 0.00 C ATOM 641 CD1 TYR A 45 -4.366 5.647 7.811 1.00 0.00 C ATOM 642 CD2 TYR A 45 -5.804 3.810 7.122 1.00 0.00 C ATOM 643 CE1 TYR A 45 -5.379 6.136 8.652 1.00 0.00 C ATOM 644 CE2 TYR A 45 -6.818 4.283 7.970 1.00 0.00 C ATOM 645 CZ TYR A 45 -6.613 5.458 8.725 1.00 0.00 C ATOM 646 OH TYR A 45 -7.615 5.924 9.511 1.00 0.00 O ATOM 0 H TYR A 45 -1.856 3.723 3.907 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.539 4.929 4.462 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.663 2.944 5.903 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.544 4.130 6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.412 6.151 7.771 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.960 2.910 6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.214 7.027 9.240 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.754 3.749 8.045 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.392 5.331 9.437 1.00 0.00 H new ATOM 656 N THR A 46 -3.397 7.145 5.119 1.00 0.00 N ATOM 657 CA THR A 46 -2.773 8.427 5.414 1.00 0.00 C ATOM 658 C THR A 46 -3.300 8.859 6.778 1.00 0.00 C ATOM 659 O THR A 46 -4.499 8.709 7.031 1.00 0.00 O ATOM 660 CB THR A 46 -3.148 9.455 4.332 1.00 0.00 C ATOM 661 OG1 THR A 46 -2.886 8.955 3.036 1.00 0.00 O ATOM 662 CG2 THR A 46 -2.392 10.774 4.498 1.00 0.00 C ATOM 0 H THR A 46 -4.409 7.154 5.250 1.00 0.00 H new ATOM 0 HA THR A 46 -1.686 8.351 5.426 1.00 0.00 H new ATOM 0 HB THR A 46 -4.215 9.639 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.135 9.628 2.369 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.691 11.466 3.711 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.626 11.207 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.320 10.590 4.431 1.00 0.00 H new ATOM 670 N GLU A 47 -2.428 9.394 7.639 1.00 0.00 N ATOM 671 CA GLU A 47 -2.821 9.872 8.958 1.00 0.00 C ATOM 672 C GLU A 47 -3.977 10.878 8.847 1.00 0.00 C ATOM 673 O GLU A 47 -4.056 11.671 7.902 1.00 0.00 O ATOM 674 CB GLU A 47 -1.603 10.476 9.684 1.00 0.00 C ATOM 675 CG GLU A 47 -1.808 10.817 11.173 1.00 0.00 C ATOM 676 CD GLU A 47 -2.448 9.707 12.024 1.00 0.00 C ATOM 677 OE1 GLU A 47 -3.664 9.433 11.891 1.00 0.00 O ATOM 678 OE2 GLU A 47 -1.795 9.137 12.921 1.00 0.00 O ATOM 0 H GLU A 47 -1.434 9.505 7.437 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.181 9.031 9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.772 9.776 9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.306 11.385 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.841 11.071 11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.432 11.708 11.241 1.00 0.00 H new ATOM 685 N LYS A 48 -4.851 10.870 9.853 1.00 0.00 N ATOM 686 CA LYS A 48 -5.940 11.819 10.014 1.00 0.00 C ATOM 687 C LYS A 48 -5.339 13.193 10.273 1.00 0.00 C ATOM 688 O LYS A 48 -4.314 13.311 10.945 1.00 0.00 O ATOM 689 CB LYS A 48 -6.817 11.436 11.219 1.00 0.00 C ATOM 690 CG LYS A 48 -7.626 10.146 11.013 1.00 0.00 C ATOM 691 CD LYS A 48 -8.660 9.951 12.135 1.00 0.00 C ATOM 692 CE LYS A 48 -9.864 10.885 11.948 1.00 0.00 C ATOM 693 NZ LYS A 48 -10.892 10.693 12.990 1.00 0.00 N ATOM 0 H LYS A 48 -4.815 10.177 10.601 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.554 11.818 9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.181 11.319 12.096 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.504 12.255 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.134 10.183 10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.951 9.291 10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.998 8.915 12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.193 10.144 13.101 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.523 11.920 11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.307 10.710 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.684 11.345 12.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.238 9.713 12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.479 10.885 13.925 1.00 0.00 H new ATOM 707 N SER A 49 -6.009 14.240 9.800 1.00 0.00 N ATOM 708 CA SER A 49 -5.569 15.586 10.111 1.00 0.00 C ATOM 709 C SER A 49 -5.702 15.787 11.617 1.00 0.00 C ATOM 710 O SER A 49 -6.589 15.211 12.271 1.00 0.00 O ATOM 711 CB SER A 49 -6.445 16.610 9.372 1.00 0.00 C ATOM 712 OG SER A 49 -7.833 16.301 9.445 1.00 0.00 O ATOM 0 H SER A 49 -6.841 14.181 9.213 1.00 0.00 H new ATOM 0 HA SER A 49 -4.535 15.726 9.797 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.275 17.600 9.795 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.141 16.654 8.326 1.00 0.00 H new ATOM 0 HG SER A 49 -8.346 16.982 8.962 1.00 0.00 H new ATOM 718 N ARG A 50 -4.844 16.655 12.152 1.00 0.00 N ATOM 719 CA ARG A 50 -5.078 17.229 13.460 1.00 0.00 C ATOM 720 C ARG A 50 -6.219 18.201 13.242 1.00 0.00 C ATOM 721 O ARG A 50 -6.022 19.309 12.740 1.00 0.00 O ATOM 722 CB ARG A 50 -3.822 17.897 14.042 1.00 0.00 C ATOM 723 CG ARG A 50 -3.086 16.982 15.024 1.00 0.00 C ATOM 724 CD ARG A 50 -1.964 17.728 15.759 1.00 0.00 C ATOM 725 NE ARG A 50 -1.618 17.063 17.025 1.00 0.00 N ATOM 726 CZ ARG A 50 -1.054 15.863 17.182 1.00 0.00 C ATOM 727 NH1 ARG A 50 -0.563 15.191 16.150 1.00 0.00 N ATOM 728 NH2 ARG A 50 -0.993 15.313 18.387 1.00 0.00 N ATOM 0 H ARG A 50 -3.987 16.970 11.696 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.329 16.473 14.204 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.149 18.173 13.230 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.104 18.820 14.549 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.794 16.582 15.750 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.667 16.132 14.486 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.082 17.781 15.121 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.276 18.753 15.958 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.833 17.577 17.879 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.612 15.589 15.212 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.137 14.276 16.294 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.377 15.807 19.193 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.562 14.396 18.508 1.00 0.00 H new ATOM 742 N THR A 51 -7.420 17.785 13.597 1.00 0.00 N ATOM 743 CA THR A 51 -8.626 18.576 13.531 1.00 0.00 C ATOM 744 C THR A 51 -8.906 18.943 14.987 1.00 0.00 C ATOM 745 O THR A 51 -8.903 18.075 15.863 1.00 0.00 O ATOM 746 CB THR A 51 -9.703 17.791 12.746 1.00 0.00 C ATOM 747 OG1 THR A 51 -10.968 18.423 12.745 1.00 0.00 O ATOM 748 CG2 THR A 51 -9.883 16.335 13.167 1.00 0.00 C ATOM 0 H THR A 51 -7.585 16.844 13.955 1.00 0.00 H new ATOM 0 HA THR A 51 -8.575 19.508 12.969 1.00 0.00 H new ATOM 0 HB THR A 51 -9.295 17.790 11.735 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.604 17.881 12.233 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.660 15.873 12.557 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.945 15.797 13.028 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.173 16.293 14.217 1.00 0.00 H new ATOM 756 N ALA A 52 -9.033 20.246 15.246 1.00 0.00 N ATOM 757 CA ALA A 52 -9.195 20.864 16.556 1.00 0.00 C ATOM 758 C ALA A 52 -8.192 20.320 17.585 1.00 0.00 C ATOM 759 O ALA A 52 -8.586 19.723 18.592 1.00 0.00 O ATOM 760 CB ALA A 52 -10.661 20.752 16.995 1.00 0.00 C ATOM 0 H ALA A 52 -9.024 20.938 14.497 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.956 21.925 16.485 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.784 21.214 17.975 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.297 21.261 16.271 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.945 19.701 17.051 1.00 0.00 H new ATOM 766 N SER A 53 -6.905 20.548 17.307 1.00 0.00 N ATOM 767 CA SER A 53 -5.786 20.272 18.197 1.00 0.00 C ATOM 768 C SER A 53 -4.919 21.541 18.265 1.00 0.00 C ATOM 769 O SER A 53 -4.917 22.222 19.291 1.00 0.00 O ATOM 770 CB SER A 53 -5.070 19.004 17.701 1.00 0.00 C ATOM 771 OG SER A 53 -4.315 18.369 18.709 1.00 0.00 O ATOM 0 H SER A 53 -6.608 20.947 16.417 1.00 0.00 H new ATOM 0 HA SER A 53 -6.086 20.053 19.222 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.810 18.304 17.313 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.412 19.265 16.872 1.00 0.00 H new ATOM 0 HG SER A 53 -3.884 17.570 18.340 1.00 0.00 H new ATOM 777 N SER A 54 -4.248 21.924 17.170 1.00 0.00 N ATOM 778 CA SER A 54 -3.441 23.145 17.063 1.00 0.00 C ATOM 779 C SER A 54 -3.607 23.873 15.710 1.00 0.00 C ATOM 780 O SER A 54 -2.826 24.779 15.424 1.00 0.00 O ATOM 781 CB SER A 54 -1.958 22.839 17.354 1.00 0.00 C ATOM 782 OG SER A 54 -1.786 22.151 18.585 1.00 0.00 O ATOM 0 H SER A 54 -4.253 21.376 16.310 1.00 0.00 H new ATOM 0 HA SER A 54 -3.816 23.834 17.819 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.546 22.238 16.543 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.394 23.771 17.378 1.00 0.00 H new ATOM 0 HG SER A 54 -0.833 21.975 18.731 1.00 0.00 H new ATOM 788 N GLY A 55 -4.599 23.519 14.883 1.00 0.00 N ATOM 789 CA GLY A 55 -4.872 24.165 13.605 1.00 0.00 C ATOM 790 C GLY A 55 -3.865 23.776 12.525 1.00 0.00 C ATOM 791 O GLY A 55 -3.150 24.636 12.021 1.00 0.00 O ATOM 0 H GLY A 55 -5.245 22.758 15.094 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.876 23.898 13.274 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.857 25.247 13.738 1.00 0.00 H new ATOM 795 N ASP A 56 -3.791 22.495 12.152 1.00 0.00 N ATOM 796 CA ASP A 56 -3.029 22.026 10.985 1.00 0.00 C ATOM 797 C ASP A 56 -4.025 21.342 10.049 1.00 0.00 C ATOM 798 O ASP A 56 -4.355 20.170 10.246 1.00 0.00 O ATOM 799 CB ASP A 56 -1.867 21.120 11.440 1.00 0.00 C ATOM 800 CG ASP A 56 -1.011 20.562 10.297 1.00 0.00 C ATOM 801 OD1 ASP A 56 -1.366 20.788 9.121 1.00 0.00 O ATOM 802 OD2 ASP A 56 -0.029 19.844 10.598 1.00 0.00 O ATOM 0 H ASP A 56 -4.263 21.744 12.656 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.554 22.843 10.442 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.225 21.686 12.115 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.275 20.287 12.012 1.00 0.00 H new ATOM 807 N TYR A 57 -4.604 22.086 9.099 1.00 0.00 N ATOM 808 CA TYR A 57 -5.755 21.604 8.343 1.00 0.00 C ATOM 809 C TYR A 57 -5.270 20.726 7.183 1.00 0.00 C ATOM 810 O TYR A 57 -5.362 21.119 6.018 1.00 0.00 O ATOM 811 CB TYR A 57 -6.589 22.808 7.844 1.00 0.00 C ATOM 812 CG TYR A 57 -7.662 23.319 8.789 1.00 0.00 C ATOM 813 CD1 TYR A 57 -7.318 23.986 9.980 1.00 0.00 C ATOM 814 CD2 TYR A 57 -9.020 23.181 8.436 1.00 0.00 C ATOM 815 CE1 TYR A 57 -8.325 24.501 10.820 1.00 0.00 C ATOM 816 CE2 TYR A 57 -10.028 23.682 9.273 1.00 0.00 C ATOM 817 CZ TYR A 57 -9.687 24.346 10.469 1.00 0.00 C ATOM 818 OH TYR A 57 -10.686 24.890 11.214 1.00 0.00 O ATOM 0 H TYR A 57 -4.292 23.022 8.839 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.398 20.996 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.907 23.629 7.624 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.065 22.529 6.904 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.279 24.103 10.251 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.286 22.686 7.514 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.057 25.014 11.732 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.066 23.559 9.001 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.552 24.673 10.809 1.00 0.00 H new ATOM 828 N ASN A 58 -4.888 19.472 7.451 1.00 0.00 N ATOM 829 CA ASN A 58 -4.469 18.580 6.364 1.00 0.00 C ATOM 830 C ASN A 58 -5.693 17.864 5.794 1.00 0.00 C ATOM 831 O ASN A 58 -5.854 16.655 5.979 1.00 0.00 O ATOM 832 CB ASN A 58 -3.387 17.588 6.816 1.00 0.00 C ATOM 833 CG ASN A 58 -2.105 18.240 7.302 1.00 0.00 C ATOM 834 OD1 ASN A 58 -1.535 17.765 8.276 1.00 0.00 O ATOM 835 ND2 ASN A 58 -1.632 19.312 6.691 1.00 0.00 N ATOM 0 H ASN A 58 -4.860 19.060 8.384 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.015 19.182 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.791 16.967 7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.150 16.923 5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.779 19.757 7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.120 19.694 5.881 1.00 0.00 H new ATOM 842 N LYS A 59 -6.602 18.580 5.119 1.00 0.00 N ATOM 843 CA LYS A 59 -7.737 17.895 4.500 1.00 0.00 C ATOM 844 C LYS A 59 -7.187 17.054 3.356 1.00 0.00 C ATOM 845 O LYS A 59 -6.653 17.595 2.383 1.00 0.00 O ATOM 846 CB LYS A 59 -8.852 18.841 4.032 1.00 0.00 C ATOM 847 CG LYS A 59 -10.116 18.014 3.750 1.00 0.00 C ATOM 848 CD LYS A 59 -11.296 18.889 3.327 1.00 0.00 C ATOM 849 CE LYS A 59 -12.463 17.973 2.953 1.00 0.00 C ATOM 850 NZ LYS A 59 -13.744 18.699 2.870 1.00 0.00 N ATOM 0 H LYS A 59 -6.576 19.592 4.992 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.222 17.267 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.055 19.592 4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.542 19.375 3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.905 17.287 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.386 17.450 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.583 19.558 4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.019 19.516 2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.255 17.498 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.547 17.176 3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.503 18.036 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.958 19.131 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.675 19.443 2.146 1.00 0.00 H new ATOM 864 N ASN A 60 -7.320 15.740 3.493 1.00 0.00 N ATOM 865 CA ASN A 60 -6.901 14.689 2.580 1.00 0.00 C ATOM 866 C ASN A 60 -7.299 13.357 3.215 1.00 0.00 C ATOM 867 O ASN A 60 -7.528 13.276 4.430 1.00 0.00 O ATOM 868 CB ASN A 60 -5.386 14.725 2.282 1.00 0.00 C ATOM 869 CG ASN A 60 -4.458 14.548 3.478 1.00 0.00 C ATOM 870 OD1 ASN A 60 -4.522 13.568 4.208 1.00 0.00 O ATOM 871 ND2 ASN A 60 -3.518 15.462 3.663 1.00 0.00 N ATOM 0 H ASN A 60 -7.765 15.350 4.324 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.391 14.831 1.617 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.161 13.943 1.556 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.153 15.678 1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.841 15.352 4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.471 16.276 3.051 1.00 0.00 H new ATOM 878 N GLN A 61 -7.393 12.320 2.389 1.00 0.00 N ATOM 879 CA GLN A 61 -7.560 10.934 2.789 1.00 0.00 C ATOM 880 C GLN A 61 -6.766 10.091 1.787 1.00 0.00 C ATOM 881 O GLN A 61 -6.527 10.535 0.659 1.00 0.00 O ATOM 882 CB GLN A 61 -9.042 10.499 2.754 1.00 0.00 C ATOM 883 CG GLN A 61 -10.071 11.376 3.490 1.00 0.00 C ATOM 884 CD GLN A 61 -10.683 12.478 2.617 1.00 0.00 C ATOM 885 OE1 GLN A 61 -10.195 13.606 2.549 1.00 0.00 O ATOM 886 NE2 GLN A 61 -11.762 12.173 1.910 1.00 0.00 N ATOM 0 H GLN A 61 -7.353 12.432 1.376 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.210 10.802 3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.346 10.433 1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.104 9.493 3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.871 10.740 3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.591 11.835 4.354 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.163 11.237 1.969 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.191 12.874 1.306 1.00 0.00 H new ATOM 895 N TYR A 62 -6.475 8.840 2.133 1.00 0.00 N ATOM 896 CA TYR A 62 -5.826 7.902 1.232 1.00 0.00 C ATOM 897 C TYR A 62 -6.841 7.468 0.171 1.00 0.00 C ATOM 898 O TYR A 62 -8.034 7.296 0.468 1.00 0.00 O ATOM 899 CB TYR A 62 -5.390 6.678 2.057 1.00 0.00 C ATOM 900 CG TYR A 62 -6.426 6.175 3.063 1.00 0.00 C ATOM 901 CD1 TYR A 62 -6.539 6.775 4.337 1.00 0.00 C ATOM 902 CD2 TYR A 62 -7.298 5.126 2.717 1.00 0.00 C ATOM 903 CE1 TYR A 62 -7.492 6.321 5.264 1.00 0.00 C ATOM 904 CE2 TYR A 62 -8.271 4.680 3.631 1.00 0.00 C ATOM 905 CZ TYR A 62 -8.359 5.264 4.915 1.00 0.00 C ATOM 906 OH TYR A 62 -9.282 4.794 5.798 1.00 0.00 O ATOM 0 H TYR A 62 -6.685 8.450 3.052 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.961 8.356 0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.146 5.866 1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.475 6.928 2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -5.885 7.593 4.602 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.220 4.661 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -7.561 6.779 6.240 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.952 3.890 3.351 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.833 4.515 6.623 1.00 0.00 H new ATOM 916 N TYR A 63 -6.412 7.344 -1.088 1.00 0.00 N ATOM 917 CA TYR A 63 -7.062 6.433 -2.019 1.00 0.00 C ATOM 918 C TYR A 63 -6.016 5.798 -2.928 1.00 0.00 C ATOM 919 O TYR A 63 -5.404 6.506 -3.732 1.00 0.00 O ATOM 920 CB TYR A 63 -8.164 7.166 -2.799 1.00 0.00 C ATOM 921 CG TYR A 63 -9.393 6.325 -3.058 1.00 0.00 C ATOM 922 CD1 TYR A 63 -10.056 5.683 -1.992 1.00 0.00 C ATOM 923 CD2 TYR A 63 -9.891 6.206 -4.365 1.00 0.00 C ATOM 924 CE1 TYR A 63 -11.185 4.886 -2.237 1.00 0.00 C ATOM 925 CE2 TYR A 63 -11.022 5.419 -4.619 1.00 0.00 C ATOM 926 CZ TYR A 63 -11.664 4.750 -3.556 1.00 0.00 C ATOM 927 OH TYR A 63 -12.757 3.991 -3.816 1.00 0.00 O ATOM 0 H TYR A 63 -5.624 7.860 -1.479 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.550 5.626 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.456 8.058 -2.245 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.758 7.502 -3.753 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.693 5.805 -0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.401 6.723 -5.177 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.683 4.381 -1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.401 5.325 -5.626 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.947 4.010 -4.777 1.00 0.00 H new ATOM 937 N GLY A 64 -5.854 4.478 -2.866 1.00 0.00 N ATOM 938 CA GLY A 64 -4.834 3.756 -3.606 1.00 0.00 C ATOM 939 C GLY A 64 -5.392 2.415 -4.045 1.00 0.00 C ATOM 940 O GLY A 64 -5.751 1.592 -3.205 1.00 0.00 O ATOM 0 H GLY A 64 -6.440 3.875 -2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.520 4.335 -4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.951 3.610 -2.984 1.00 0.00 H new ATOM 944 N ILE A 65 -5.512 2.219 -5.357 1.00 0.00 N ATOM 945 CA ILE A 65 -5.931 0.964 -5.958 1.00 0.00 C ATOM 946 C ILE A 65 -4.628 0.392 -6.519 1.00 0.00 C ATOM 947 O ILE A 65 -4.011 1.031 -7.377 1.00 0.00 O ATOM 948 CB ILE A 65 -7.030 1.182 -7.034 1.00 0.00 C ATOM 949 CG1 ILE A 65 -8.366 1.792 -6.544 1.00 0.00 C ATOM 950 CG2 ILE A 65 -7.398 -0.167 -7.674 1.00 0.00 C ATOM 951 CD1 ILE A 65 -8.306 3.209 -5.965 1.00 0.00 C ATOM 0 H ILE A 65 -5.315 2.948 -6.043 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.402 0.278 -5.254 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.576 1.900 -7.717 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.065 1.796 -7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.783 1.131 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.169 -0.013 -8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.514 -0.601 -8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.772 -0.844 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.305 3.520 -5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.642 3.221 -5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.928 3.896 -6.722 1.00 0.00 H new ATOM 963 N THR A 66 -4.198 -0.756 -6.004 1.00 0.00 N ATOM 964 CA THR A 66 -2.907 -1.383 -6.221 1.00 0.00 C ATOM 965 C THR A 66 -3.153 -2.881 -6.431 1.00 0.00 C ATOM 966 O THR A 66 -3.869 -3.519 -5.646 1.00 0.00 O ATOM 967 CB THR A 66 -2.003 -1.077 -5.013 1.00 0.00 C ATOM 968 OG1 THR A 66 -1.935 0.320 -4.821 1.00 0.00 O ATOM 969 CG2 THR A 66 -0.563 -1.580 -5.158 1.00 0.00 C ATOM 0 H THR A 66 -4.787 -1.308 -5.381 1.00 0.00 H new ATOM 0 HA THR A 66 -2.395 -0.999 -7.103 1.00 0.00 H new ATOM 0 HB THR A 66 -2.457 -1.601 -4.172 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.361 0.517 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.004 -1.323 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.567 -2.662 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.100 -1.113 -6.028 1.00 0.00 H new ATOM 977 N ALA A 67 -2.610 -3.421 -7.523 1.00 0.00 N ATOM 978 CA ALA A 67 -2.820 -4.794 -7.970 1.00 0.00 C ATOM 979 C ALA A 67 -1.863 -5.762 -7.266 1.00 0.00 C ATOM 980 O ALA A 67 -0.984 -5.343 -6.510 1.00 0.00 O ATOM 981 CB ALA A 67 -2.633 -4.854 -9.494 1.00 0.00 C ATOM 0 H ALA A 67 -1.991 -2.895 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.833 -5.102 -7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.788 -5.876 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.355 -4.195 -9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.623 -4.534 -9.750 1.00 0.00 H new ATOM 987 N GLY A 68 -1.984 -7.056 -7.568 1.00 0.00 N ATOM 988 CA GLY A 68 -0.976 -8.039 -7.215 1.00 0.00 C ATOM 989 C GLY A 68 -1.246 -9.373 -7.891 1.00 0.00 C ATOM 990 O GLY A 68 -1.749 -10.280 -7.228 1.00 0.00 O ATOM 0 H GLY A 68 -2.786 -7.445 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.009 -7.674 -7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.959 -8.174 -6.133 1.00 0.00 H new ATOM 994 N PRO A 69 -0.940 -9.504 -9.194 1.00 0.00 N ATOM 995 CA PRO A 69 -0.762 -10.801 -9.823 1.00 0.00 C ATOM 996 C PRO A 69 0.465 -11.470 -9.199 1.00 0.00 C ATOM 997 O PRO A 69 1.564 -10.921 -9.255 1.00 0.00 O ATOM 998 CB PRO A 69 -0.592 -10.518 -11.320 1.00 0.00 C ATOM 999 CG PRO A 69 0.005 -9.110 -11.355 1.00 0.00 C ATOM 1000 CD PRO A 69 -0.609 -8.435 -10.130 1.00 0.00 C ATOM 0 HA PRO A 69 -1.601 -11.481 -9.679 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.068 -11.245 -11.793 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.545 -10.563 -11.847 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.093 -9.133 -11.298 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.255 -8.586 -12.275 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.092 -7.730 -9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.499 -7.869 -10.404 1.00 0.00 H new ATOM 1008 N ALA A 70 0.276 -12.630 -8.573 1.00 0.00 N ATOM 1009 CA ALA A 70 1.351 -13.399 -7.966 1.00 0.00 C ATOM 1010 C ALA A 70 1.550 -14.668 -8.791 1.00 0.00 C ATOM 1011 O ALA A 70 0.638 -15.489 -8.865 1.00 0.00 O ATOM 1012 CB ALA A 70 1.005 -13.696 -6.506 1.00 0.00 C ATOM 0 H ALA A 70 -0.641 -13.065 -8.474 1.00 0.00 H new ATOM 0 HA ALA A 70 2.288 -12.842 -7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.811 -14.272 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.879 -12.759 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.079 -14.269 -6.461 1.00 0.00 H new ATOM 1018 N TYR A 71 2.721 -14.816 -9.415 1.00 0.00 N ATOM 1019 CA TYR A 71 3.080 -15.888 -10.350 1.00 0.00 C ATOM 1020 C TYR A 71 4.459 -16.422 -9.941 1.00 0.00 C ATOM 1021 O TYR A 71 5.223 -15.660 -9.345 1.00 0.00 O ATOM 1022 CB TYR A 71 3.124 -15.298 -11.777 1.00 0.00 C ATOM 1023 CG TYR A 71 2.414 -16.113 -12.840 1.00 0.00 C ATOM 1024 CD1 TYR A 71 2.947 -17.341 -13.276 1.00 0.00 C ATOM 1025 CD2 TYR A 71 1.247 -15.605 -13.445 1.00 0.00 C ATOM 1026 CE1 TYR A 71 2.308 -18.067 -14.295 1.00 0.00 C ATOM 1027 CE2 TYR A 71 0.605 -16.326 -14.467 1.00 0.00 C ATOM 1028 CZ TYR A 71 1.131 -17.564 -14.892 1.00 0.00 C ATOM 1029 OH TYR A 71 0.580 -18.212 -15.955 1.00 0.00 O ATOM 0 H TYR A 71 3.486 -14.156 -9.275 1.00 0.00 H new ATOM 0 HA TYR A 71 2.354 -16.701 -10.329 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.684 -14.301 -11.753 1.00 0.00 H new ATOM 0 HB3 TYR A 71 4.167 -15.179 -12.071 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.850 -17.726 -12.826 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.844 -14.657 -13.122 1.00 0.00 H new ATOM 0 HE1 TYR A 71 2.717 -19.011 -14.622 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.290 -15.933 -14.926 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.226 -17.737 -16.246 1.00 0.00 H new ATOM 1039 N ARG A 72 4.824 -17.675 -10.252 1.00 0.00 N ATOM 1040 CA ARG A 72 6.217 -18.137 -10.144 1.00 0.00 C ATOM 1041 C ARG A 72 6.835 -18.056 -11.535 1.00 0.00 C ATOM 1042 O ARG A 72 6.231 -18.554 -12.479 1.00 0.00 O ATOM 1043 CB ARG A 72 6.331 -19.577 -9.599 1.00 0.00 C ATOM 1044 CG ARG A 72 5.855 -19.755 -8.146 1.00 0.00 C ATOM 1045 CD ARG A 72 4.395 -20.227 -8.049 1.00 0.00 C ATOM 1046 NE ARG A 72 3.852 -20.013 -6.696 1.00 0.00 N ATOM 1047 CZ ARG A 72 3.493 -20.922 -5.777 1.00 0.00 C ATOM 1048 NH1 ARG A 72 3.650 -22.226 -5.966 1.00 0.00 N ATOM 1049 NH2 ARG A 72 2.957 -20.522 -4.632 1.00 0.00 N ATOM 0 H ARG A 72 4.173 -18.388 -10.581 1.00 0.00 H new ATOM 0 HA ARG A 72 6.743 -17.501 -9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.751 -20.241 -10.241 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.371 -19.896 -9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.499 -20.477 -7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.962 -18.809 -7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.787 -19.689 -8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.335 -21.285 -8.304 1.00 0.00 H new ATOM 0 HE ARG A 72 3.732 -19.038 -6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.057 -22.570 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.364 -22.884 -5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.819 -19.527 -4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.682 -21.209 -3.930 1.00 0.00 H new ATOM 1063 N ILE A 73 8.006 -17.427 -11.666 1.00 0.00 N ATOM 1064 CA ILE A 73 8.686 -17.219 -12.953 1.00 0.00 C ATOM 1065 C ILE A 73 10.206 -17.306 -12.785 1.00 0.00 C ATOM 1066 O ILE A 73 10.870 -17.961 -13.589 1.00 0.00 O ATOM 1067 CB ILE A 73 8.283 -15.883 -13.630 1.00 0.00 C ATOM 1068 CG1 ILE A 73 8.310 -14.649 -12.698 1.00 0.00 C ATOM 1069 CG2 ILE A 73 6.943 -15.995 -14.378 1.00 0.00 C ATOM 1070 CD1 ILE A 73 7.041 -14.395 -11.873 1.00 0.00 C ATOM 0 H ILE A 73 8.518 -17.042 -10.872 1.00 0.00 H new ATOM 0 HA ILE A 73 8.360 -18.020 -13.616 1.00 0.00 H new ATOM 0 HB ILE A 73 9.070 -15.702 -14.363 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.149 -14.757 -12.011 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.507 -13.765 -13.305 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.701 -15.036 -14.836 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.021 -16.758 -15.153 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.156 -16.270 -13.676 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.178 -13.505 -11.259 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.195 -14.246 -12.544 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.848 -15.253 -11.229 1.00 0.00 H new ATOM 1082 N ASN A 74 10.749 -16.752 -11.690 1.00 0.00 N ATOM 1083 CA ASN A 74 12.155 -16.891 -11.288 1.00 0.00 C ATOM 1084 C ASN A 74 12.516 -18.350 -10.967 1.00 0.00 C ATOM 1085 O ASN A 74 13.690 -18.657 -10.771 1.00 0.00 O ATOM 1086 CB ASN A 74 12.425 -15.981 -10.076 1.00 0.00 C ATOM 1087 CG ASN A 74 13.896 -15.966 -9.664 1.00 0.00 C ATOM 1088 OD1 ASN A 74 14.234 -16.394 -8.460 1.00 0.00 O flip ATOM 1089 ND2 ASN A 74 14.750 -15.515 -10.418 1.00 0.00 N flip ATOM 0 H ASN A 74 10.207 -16.180 -11.043 1.00 0.00 H new ATOM 0 HA ASN A 74 12.787 -16.587 -12.123 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.108 -14.965 -10.312 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.820 -16.316 -9.234 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.487 -15.185 -11.347 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.723 -15.469 -10.117 1.00 0.00 H new ATOM 1096 N ASP A 75 11.503 -19.226 -10.959 1.00 0.00 N ATOM 1097 CA ASP A 75 11.473 -20.667 -10.723 1.00 0.00 C ATOM 1098 C ASP A 75 11.351 -20.891 -9.225 1.00 0.00 C ATOM 1099 O ASP A 75 12.198 -20.430 -8.463 1.00 0.00 O ATOM 1100 CB ASP A 75 12.646 -21.442 -11.336 1.00 0.00 C ATOM 1101 CG ASP A 75 12.471 -22.943 -11.125 1.00 0.00 C ATOM 1102 OD1 ASP A 75 11.341 -23.453 -11.304 1.00 0.00 O ATOM 1103 OD2 ASP A 75 13.472 -23.621 -10.809 1.00 0.00 O ATOM 0 H ASP A 75 10.559 -18.888 -11.144 1.00 0.00 H new ATOM 0 HA ASP A 75 10.608 -21.077 -11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.714 -21.225 -12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.582 -21.113 -10.884 1.00 0.00 H new ATOM 1108 N TRP A 76 10.226 -21.462 -8.788 1.00 0.00 N ATOM 1109 CA TRP A 76 9.775 -21.593 -7.397 1.00 0.00 C ATOM 1110 C TRP A 76 9.583 -20.269 -6.643 1.00 0.00 C ATOM 1111 O TRP A 76 9.041 -20.284 -5.538 1.00 0.00 O ATOM 1112 CB TRP A 76 10.669 -22.576 -6.626 1.00 0.00 C ATOM 1113 CG TRP A 76 11.015 -23.831 -7.368 1.00 0.00 C ATOM 1114 CD1 TRP A 76 12.190 -24.069 -7.991 1.00 0.00 C ATOM 1115 CD2 TRP A 76 10.175 -24.988 -7.651 1.00 0.00 C ATOM 1116 NE1 TRP A 76 12.143 -25.293 -8.623 1.00 0.00 N ATOM 1117 CE2 TRP A 76 10.929 -25.916 -8.428 1.00 0.00 C ATOM 1118 CE3 TRP A 76 8.843 -25.341 -7.348 1.00 0.00 C ATOM 1119 CZ2 TRP A 76 10.397 -27.143 -8.854 1.00 0.00 C ATOM 1120 CZ3 TRP A 76 8.301 -26.573 -7.757 1.00 0.00 C ATOM 1121 CH2 TRP A 76 9.076 -27.475 -8.508 1.00 0.00 C ATOM 0 H TRP A 76 9.559 -21.874 -9.440 1.00 0.00 H new ATOM 0 HA TRP A 76 8.767 -22.004 -7.457 1.00 0.00 H new ATOM 0 HB2 TRP A 76 11.593 -22.066 -6.353 1.00 0.00 H new ATOM 0 HB3 TRP A 76 10.168 -22.847 -5.697 1.00 0.00 H new ATOM 0 HD1 TRP A 76 13.038 -23.401 -7.993 1.00 0.00 H new ATOM 0 HE1 TRP A 76 12.910 -25.688 -9.167 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.227 -24.651 -6.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 10.996 -27.824 -9.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 7.285 -26.827 -7.493 1.00 0.00 H new ATOM 0 HH2 TRP A 76 8.657 -28.421 -8.818 1.00 0.00 H new ATOM 1132 N ALA A 77 9.960 -19.128 -7.228 1.00 0.00 N ATOM 1133 CA ALA A 77 9.858 -17.807 -6.633 1.00 0.00 C ATOM 1134 C ALA A 77 9.167 -16.839 -7.595 1.00 0.00 C ATOM 1135 O ALA A 77 9.204 -17.004 -8.825 1.00 0.00 O ATOM 1136 CB ALA A 77 11.259 -17.316 -6.252 1.00 0.00 C ATOM 0 H ALA A 77 10.360 -19.107 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 77 9.249 -17.857 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.188 -16.324 -5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.704 -18.006 -5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.883 -17.268 -7.145 1.00 0.00 H new ATOM 1142 N SER A 78 8.560 -15.814 -7.007 1.00 0.00 N ATOM 1143 CA SER A 78 7.824 -14.750 -7.662 1.00 0.00 C ATOM 1144 C SER A 78 8.666 -13.476 -7.747 1.00 0.00 C ATOM 1145 O SER A 78 9.742 -13.391 -7.153 1.00 0.00 O ATOM 1146 CB SER A 78 6.486 -14.550 -6.938 1.00 0.00 C ATOM 1147 OG SER A 78 6.575 -14.328 -5.543 1.00 0.00 O ATOM 0 H SER A 78 8.573 -15.701 -5.993 1.00 0.00 H new ATOM 0 HA SER A 78 7.603 -15.023 -8.694 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.971 -13.703 -7.391 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.865 -15.429 -7.109 1.00 0.00 H new ATOM 0 HG SER A 78 5.675 -14.211 -5.172 1.00 0.00 H new ATOM 1153 N ILE A 79 8.202 -12.496 -8.523 1.00 0.00 N ATOM 1154 CA ILE A 79 8.873 -11.221 -8.750 1.00 0.00 C ATOM 1155 C ILE A 79 7.821 -10.113 -8.683 1.00 0.00 C ATOM 1156 O ILE A 79 6.625 -10.377 -8.810 1.00 0.00 O ATOM 1157 CB ILE A 79 9.641 -11.232 -10.100 1.00 0.00 C ATOM 1158 CG1 ILE A 79 8.737 -11.329 -11.356 1.00 0.00 C ATOM 1159 CG2 ILE A 79 10.667 -12.378 -10.136 1.00 0.00 C ATOM 1160 CD1 ILE A 79 8.465 -9.995 -12.046 1.00 0.00 C ATOM 0 H ILE A 79 7.318 -12.573 -9.027 1.00 0.00 H new ATOM 0 HA ILE A 79 9.624 -11.041 -7.981 1.00 0.00 H new ATOM 0 HB ILE A 79 10.138 -10.263 -10.143 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.204 -12.005 -12.072 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.785 -11.776 -11.069 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.193 -12.366 -11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.384 -12.250 -9.325 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.152 -13.331 -10.017 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.825 -10.158 -12.913 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.967 -9.320 -11.350 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.408 -9.553 -12.368 1.00 0.00 H new ATOM 1172 N TYR A 80 8.261 -8.862 -8.593 1.00 0.00 N ATOM 1173 CA TYR A 80 7.439 -7.699 -8.378 1.00 0.00 C ATOM 1174 C TYR A 80 7.285 -6.921 -9.676 1.00 0.00 C ATOM 1175 O TYR A 80 8.108 -7.024 -10.585 1.00 0.00 O ATOM 1176 CB TYR A 80 8.180 -6.821 -7.361 1.00 0.00 C ATOM 1177 CG TYR A 80 9.564 -6.351 -7.787 1.00 0.00 C ATOM 1178 CD1 TYR A 80 9.707 -5.179 -8.556 1.00 0.00 C ATOM 1179 CD2 TYR A 80 10.707 -7.105 -7.457 1.00 0.00 C ATOM 1180 CE1 TYR A 80 10.977 -4.759 -8.985 1.00 0.00 C ATOM 1181 CE2 TYR A 80 11.979 -6.699 -7.894 1.00 0.00 C ATOM 1182 CZ TYR A 80 12.118 -5.519 -8.658 1.00 0.00 C ATOM 1183 OH TYR A 80 13.347 -5.107 -9.072 1.00 0.00 O ATOM 0 H TYR A 80 9.251 -8.631 -8.673 1.00 0.00 H new ATOM 0 HA TYR A 80 6.449 -7.986 -8.025 1.00 0.00 H new ATOM 0 HB2 TYR A 80 7.567 -5.945 -7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.275 -7.377 -6.428 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.834 -4.599 -8.817 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.605 -8.002 -6.864 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.079 -3.854 -9.565 1.00 0.00 H new ATOM 0 HE2 TYR A 80 12.849 -7.288 -7.646 1.00 0.00 H new ATOM 0 HH TYR A 80 14.026 -5.742 -8.762 1.00 0.00 H new ATOM 1193 N GLY A 81 6.206 -6.146 -9.742 1.00 0.00 N ATOM 1194 CA GLY A 81 5.732 -5.571 -10.982 1.00 0.00 C ATOM 1195 C GLY A 81 4.235 -5.317 -10.923 1.00 0.00 C ATOM 1196 O GLY A 81 3.541 -5.527 -11.922 1.00 0.00 O ATOM 0 H GLY A 81 5.639 -5.903 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.256 -4.636 -11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.959 -6.243 -11.810 1.00 0.00 H new ATOM 1200 N VAL A 82 3.734 -4.799 -9.801 1.00 0.00 N ATOM 1201 CA VAL A 82 2.332 -4.427 -9.658 1.00 0.00 C ATOM 1202 C VAL A 82 2.289 -2.905 -9.781 1.00 0.00 C ATOM 1203 O VAL A 82 3.275 -2.234 -9.455 1.00 0.00 O ATOM 1204 CB VAL A 82 1.738 -4.918 -8.309 1.00 0.00 C ATOM 1205 CG1 VAL A 82 2.199 -6.334 -7.913 1.00 0.00 C ATOM 1206 CG2 VAL A 82 1.964 -3.969 -7.116 1.00 0.00 C ATOM 0 H VAL A 82 4.293 -4.626 -8.966 1.00 0.00 H new ATOM 0 HA VAL A 82 1.719 -4.900 -10.425 1.00 0.00 H new ATOM 0 HB VAL A 82 0.669 -4.935 -8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.746 -6.611 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.893 -7.044 -8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.285 -6.349 -7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.514 -4.397 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.034 -3.834 -6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.504 -3.003 -7.327 1.00 0.00 H new ATOM 1216 N VAL A 83 1.159 -2.366 -10.239 1.00 0.00 N ATOM 1217 CA VAL A 83 0.933 -0.926 -10.217 1.00 0.00 C ATOM 1218 C VAL A 83 0.157 -0.584 -8.964 1.00 0.00 C ATOM 1219 O VAL A 83 -0.568 -1.429 -8.435 1.00 0.00 O ATOM 1220 CB VAL A 83 0.164 -0.431 -11.458 1.00 0.00 C ATOM 1221 CG1 VAL A 83 0.966 -0.745 -12.713 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -1.268 -0.982 -11.586 1.00 0.00 C ATOM 0 H VAL A 83 0.388 -2.907 -10.629 1.00 0.00 H new ATOM 0 HA VAL A 83 1.902 -0.427 -10.226 1.00 0.00 H new ATOM 0 HB VAL A 83 0.048 0.646 -11.333 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.422 -0.395 -13.590 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.933 -0.244 -12.662 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.119 -1.822 -12.787 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.733 -0.581 -12.487 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.235 -2.070 -11.648 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.851 -0.686 -10.714 1.00 0.00 H new ATOM 1232 N GLY A 84 0.237 0.683 -8.581 1.00 0.00 N ATOM 1233 CA GLY A 84 -0.672 1.337 -7.668 1.00 0.00 C ATOM 1234 C GLY A 84 -0.741 2.815 -8.019 1.00 0.00 C ATOM 1235 O GLY A 84 -0.122 3.253 -8.999 1.00 0.00 O ATOM 0 H GLY A 84 0.972 1.305 -8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.662 0.887 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.332 1.209 -6.640 1.00 0.00 H new ATOM 1239 N VAL A 85 -1.487 3.570 -7.225 1.00 0.00 N ATOM 1240 CA VAL A 85 -1.389 5.018 -7.127 1.00 0.00 C ATOM 1241 C VAL A 85 -1.397 5.338 -5.636 1.00 0.00 C ATOM 1242 O VAL A 85 -1.995 4.596 -4.849 1.00 0.00 O ATOM 1243 CB VAL A 85 -2.512 5.761 -7.887 1.00 0.00 C ATOM 1244 CG1 VAL A 85 -2.490 5.457 -9.391 1.00 0.00 C ATOM 1245 CG2 VAL A 85 -3.922 5.473 -7.343 1.00 0.00 C ATOM 0 H VAL A 85 -2.201 3.177 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.475 5.367 -7.606 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.298 6.817 -7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.296 6.000 -9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.533 5.767 -9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.625 4.387 -9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.657 6.029 -7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.130 4.406 -7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.979 5.780 -6.299 1.00 0.00 H new ATOM 1255 N GLY A 86 -0.755 6.435 -5.253 1.00 0.00 N ATOM 1256 CA GLY A 86 -0.970 7.067 -3.965 1.00 0.00 C ATOM 1257 C GLY A 86 -1.459 8.486 -4.204 1.00 0.00 C ATOM 1258 O GLY A 86 -1.253 9.037 -5.291 1.00 0.00 O ATOM 0 H GLY A 86 -0.066 6.912 -5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.702 6.506 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.045 7.076 -3.388 1.00 0.00 H new ATOM 1262 N TYR A 87 -2.112 9.062 -3.201 1.00 0.00 N ATOM 1263 CA TYR A 87 -2.539 10.450 -3.172 1.00 0.00 C ATOM 1264 C TYR A 87 -2.045 11.089 -1.877 1.00 0.00 C ATOM 1265 O TYR A 87 -1.861 10.391 -0.872 1.00 0.00 O ATOM 1266 CB TYR A 87 -4.075 10.518 -3.231 1.00 0.00 C ATOM 1267 CG TYR A 87 -4.667 10.791 -4.594 1.00 0.00 C ATOM 1268 CD1 TYR A 87 -4.357 11.998 -5.249 1.00 0.00 C ATOM 1269 CD2 TYR A 87 -5.576 9.886 -5.176 1.00 0.00 C ATOM 1270 CE1 TYR A 87 -4.967 12.312 -6.473 1.00 0.00 C ATOM 1271 CE2 TYR A 87 -6.190 10.198 -6.402 1.00 0.00 C ATOM 1272 CZ TYR A 87 -5.888 11.412 -7.056 1.00 0.00 C ATOM 1273 OH TYR A 87 -6.490 11.722 -8.235 1.00 0.00 O ATOM 0 H TYR A 87 -2.367 8.553 -2.355 1.00 0.00 H new ATOM 0 HA TYR A 87 -2.127 10.984 -4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.476 9.574 -2.863 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.412 11.296 -2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.648 12.684 -4.809 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.801 8.953 -4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.733 13.242 -6.970 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.894 9.508 -6.844 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.093 10.995 -8.496 1.00 0.00 H new ATOM 1283 N GLY A 88 -1.953 12.418 -1.871 1.00 0.00 N ATOM 1284 CA GLY A 88 -1.576 13.194 -0.705 1.00 0.00 C ATOM 1285 C GLY A 88 -2.021 14.623 -0.928 1.00 0.00 C ATOM 1286 O GLY A 88 -1.192 15.488 -1.183 1.00 0.00 O ATOM 0 H GLY A 88 -2.143 12.990 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.043 12.785 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.498 13.151 -0.551 1.00 0.00 H new ATOM 1290 N LYS A 89 -3.334 14.889 -0.913 1.00 0.00 N ATOM 1291 CA LYS A 89 -3.882 16.146 -1.441 1.00 0.00 C ATOM 1292 C LYS A 89 -3.248 17.416 -0.858 1.00 0.00 C ATOM 1293 O LYS A 89 -3.311 18.424 -1.556 1.00 0.00 O ATOM 1294 CB LYS A 89 -5.418 16.202 -1.287 1.00 0.00 C ATOM 1295 CG LYS A 89 -6.198 15.731 -2.522 1.00 0.00 C ATOM 1296 CD LYS A 89 -6.183 14.207 -2.701 1.00 0.00 C ATOM 1297 CE LYS A 89 -7.189 13.748 -3.760 1.00 0.00 C ATOM 1298 NZ LYS A 89 -6.903 14.278 -5.108 1.00 0.00 N ATOM 0 H LYS A 89 -4.037 14.250 -0.541 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.619 16.135 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.708 15.588 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.711 17.226 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.231 16.071 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.775 16.199 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.182 13.885 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.413 13.727 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.193 12.659 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.189 14.060 -3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.697 14.059 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.776 15.309 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.035 13.840 -5.476 1.00 0.00 H new ATOM 1312 N PHE A 90 -2.695 17.379 0.364 1.00 0.00 N ATOM 1313 CA PHE A 90 -2.101 18.482 1.130 1.00 0.00 C ATOM 1314 C PHE A 90 -2.665 19.863 0.769 1.00 0.00 C ATOM 1315 O PHE A 90 -2.123 20.590 -0.070 1.00 0.00 O ATOM 1316 CB PHE A 90 -0.565 18.455 1.054 1.00 0.00 C ATOM 1317 CG PHE A 90 0.093 19.651 1.726 1.00 0.00 C ATOM 1318 CD1 PHE A 90 -0.131 19.920 3.091 1.00 0.00 C ATOM 1319 CD2 PHE A 90 0.880 20.536 0.965 1.00 0.00 C ATOM 1320 CE1 PHE A 90 0.405 21.079 3.677 1.00 0.00 C ATOM 1321 CE2 PHE A 90 1.420 21.692 1.554 1.00 0.00 C ATOM 1322 CZ PHE A 90 1.173 21.970 2.909 1.00 0.00 C ATOM 0 H PHE A 90 -2.649 16.503 0.884 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.392 18.313 2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.201 17.540 1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.261 18.422 0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.715 19.235 3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.070 20.325 -0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.226 21.286 4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.024 22.366 0.966 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.573 22.867 3.359 1.00 0.00 H new ATOM 1332 N GLN A 91 -3.748 20.252 1.442 1.00 0.00 N ATOM 1333 CA GLN A 91 -4.192 21.639 1.463 1.00 0.00 C ATOM 1334 C GLN A 91 -3.794 22.273 2.798 1.00 0.00 C ATOM 1335 O GLN A 91 -3.394 21.574 3.729 1.00 0.00 O ATOM 1336 CB GLN A 91 -5.694 21.718 1.151 1.00 0.00 C ATOM 1337 CG GLN A 91 -6.636 21.190 2.237 1.00 0.00 C ATOM 1338 CD GLN A 91 -7.292 22.336 2.999 1.00 0.00 C ATOM 1339 OE1 GLN A 91 -8.200 22.984 2.483 1.00 0.00 O ATOM 1340 NE2 GLN A 91 -6.858 22.620 4.210 1.00 0.00 N ATOM 0 H GLN A 91 -4.336 19.618 1.983 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.700 22.219 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -5.949 22.759 0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.883 21.162 0.233 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.404 20.564 1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.079 20.560 2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.103 22.072 4.623 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -7.277 23.388 4.735 1.00 0.00 H new ATOM 1349 N THR A 92 -3.954 23.589 2.881 1.00 0.00 N ATOM 1350 CA THR A 92 -3.706 24.440 4.032 1.00 0.00 C ATOM 1351 C THR A 92 -4.907 25.387 4.114 1.00 0.00 C ATOM 1352 O THR A 92 -5.507 25.691 3.074 1.00 0.00 O ATOM 1353 CB THR A 92 -2.359 25.177 3.835 1.00 0.00 C ATOM 1354 OG1 THR A 92 -2.140 26.108 4.867 1.00 0.00 O ATOM 1355 CG2 THR A 92 -2.249 25.954 2.515 1.00 0.00 C ATOM 0 H THR A 92 -4.287 24.127 2.081 1.00 0.00 H new ATOM 0 HA THR A 92 -3.614 23.890 4.969 1.00 0.00 H new ATOM 0 HB THR A 92 -1.617 24.379 3.834 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.283 26.560 4.723 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.275 26.440 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.360 25.266 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.034 26.709 2.471 1.00 0.00 H new ATOM 1363 N THR A 93 -5.247 25.863 5.313 1.00 0.00 N ATOM 1364 CA THR A 93 -6.335 26.804 5.569 1.00 0.00 C ATOM 1365 C THR A 93 -5.783 27.906 6.483 1.00 0.00 C ATOM 1366 O THR A 93 -6.255 28.105 7.599 1.00 0.00 O ATOM 1367 CB THR A 93 -7.565 26.054 6.131 1.00 0.00 C ATOM 1368 OG1 THR A 93 -7.958 25.021 5.245 1.00 0.00 O ATOM 1369 CG2 THR A 93 -8.805 26.933 6.344 1.00 0.00 C ATOM 0 H THR A 93 -4.753 25.593 6.163 1.00 0.00 H new ATOM 0 HA THR A 93 -6.694 27.282 4.658 1.00 0.00 H new ATOM 0 HB THR A 93 -7.235 25.680 7.100 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.490 24.357 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 93 -9.618 26.325 6.740 1.00 0.00 H new ATOM 0 HG22 THR A 93 -8.570 27.729 7.051 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.109 27.370 5.393 1.00 0.00 H new ATOM 1377 N GLU A 94 -4.756 28.620 6.013 1.00 0.00 N ATOM 1378 CA GLU A 94 -4.155 29.731 6.749 1.00 0.00 C ATOM 1379 C GLU A 94 -3.418 30.639 5.771 1.00 0.00 C ATOM 1380 O GLU A 94 -3.812 31.794 5.615 1.00 0.00 O ATOM 1381 CB GLU A 94 -3.275 29.255 7.924 1.00 0.00 C ATOM 1382 CG GLU A 94 -2.244 28.166 7.599 1.00 0.00 C ATOM 1383 CD GLU A 94 -1.608 27.644 8.881 1.00 0.00 C ATOM 1384 OE1 GLU A 94 -0.701 28.310 9.428 1.00 0.00 O ATOM 1385 OE2 GLU A 94 -2.041 26.580 9.381 1.00 0.00 O ATOM 0 H GLU A 94 -4.318 28.442 5.109 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.946 30.313 7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.746 30.118 8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.929 28.884 8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.725 27.347 7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.474 28.569 6.940 1.00 0.00 H new ATOM 1392 N TYR A 95 -2.411 30.114 5.064 1.00 0.00 N ATOM 1393 CA TYR A 95 -1.687 30.868 4.047 1.00 0.00 C ATOM 1394 C TYR A 95 -2.675 31.360 2.979 1.00 0.00 C ATOM 1395 O TYR A 95 -3.561 30.591 2.581 1.00 0.00 O ATOM 1396 CB TYR A 95 -0.564 30.012 3.438 1.00 0.00 C ATOM 1397 CG TYR A 95 0.760 30.153 4.168 1.00 0.00 C ATOM 1398 CD1 TYR A 95 1.614 31.226 3.845 1.00 0.00 C ATOM 1399 CD2 TYR A 95 1.148 29.235 5.165 1.00 0.00 C ATOM 1400 CE1 TYR A 95 2.834 31.395 4.519 1.00 0.00 C ATOM 1401 CE2 TYR A 95 2.369 29.405 5.848 1.00 0.00 C ATOM 1402 CZ TYR A 95 3.217 30.493 5.534 1.00 0.00 C ATOM 1403 OH TYR A 95 4.410 30.685 6.164 1.00 0.00 O ATOM 0 H TYR A 95 -2.079 29.157 5.184 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.214 31.738 4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -0.868 28.965 3.449 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.427 30.293 2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.328 31.924 3.072 1.00 0.00 H new ATOM 0 HD2 TYR A 95 0.508 28.399 5.406 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.482 32.219 4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.659 28.702 6.615 1.00 0.00 H new ATOM 0 HH TYR A 95 4.539 29.987 6.840 1.00 0.00 H new ATOM 1413 N PRO A 96 -2.541 32.610 2.494 1.00 0.00 N ATOM 1414 CA PRO A 96 -3.528 33.229 1.622 1.00 0.00 C ATOM 1415 C PRO A 96 -3.669 32.438 0.324 1.00 0.00 C ATOM 1416 O PRO A 96 -2.717 31.814 -0.150 1.00 0.00 O ATOM 1417 CB PRO A 96 -3.049 34.665 1.386 1.00 0.00 C ATOM 1418 CG PRO A 96 -1.544 34.585 1.635 1.00 0.00 C ATOM 1419 CD PRO A 96 -1.438 33.527 2.731 1.00 0.00 C ATOM 0 HA PRO A 96 -4.522 33.236 2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.271 35.001 0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.532 35.366 2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.000 34.293 0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.136 35.543 1.957 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.480 33.009 2.685 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.509 33.979 3.721 1.00 0.00 H new ATOM 1427 N THR A 97 -4.872 32.473 -0.247 1.00 0.00 N ATOM 1428 CA THR A 97 -5.293 31.561 -1.302 1.00 0.00 C ATOM 1429 C THR A 97 -4.948 30.124 -0.876 1.00 0.00 C ATOM 1430 O THR A 97 -4.026 29.496 -1.405 1.00 0.00 O ATOM 1431 CB THR A 97 -4.718 32.003 -2.665 1.00 0.00 C ATOM 1432 OG1 THR A 97 -4.757 33.416 -2.780 1.00 0.00 O ATOM 1433 CG2 THR A 97 -5.530 31.435 -3.833 1.00 0.00 C ATOM 0 H THR A 97 -5.591 33.147 0.017 1.00 0.00 H new ATOM 0 HA THR A 97 -6.373 31.588 -1.446 1.00 0.00 H new ATOM 0 HB THR A 97 -3.695 31.630 -2.708 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.388 33.684 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 97 -5.094 31.768 -4.775 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.515 30.346 -3.791 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.560 31.786 -3.765 1.00 0.00 H new ATOM 1441 N TYR A 98 -5.667 29.645 0.147 1.00 0.00 N ATOM 1442 CA TYR A 98 -5.708 28.279 0.658 1.00 0.00 C ATOM 1443 C TYR A 98 -5.624 27.220 -0.444 1.00 0.00 C ATOM 1444 O TYR A 98 -5.968 27.495 -1.593 1.00 0.00 O ATOM 1445 CB TYR A 98 -7.051 28.110 1.375 1.00 0.00 C ATOM 1446 CG TYR A 98 -7.442 29.211 2.341 1.00 0.00 C ATOM 1447 CD1 TYR A 98 -6.572 29.615 3.369 1.00 0.00 C ATOM 1448 CD2 TYR A 98 -8.689 29.841 2.198 1.00 0.00 C ATOM 1449 CE1 TYR A 98 -6.976 30.592 4.296 1.00 0.00 C ATOM 1450 CE2 TYR A 98 -9.100 30.822 3.113 1.00 0.00 C ATOM 1451 CZ TYR A 98 -8.256 31.179 4.187 1.00 0.00 C ATOM 1452 OH TYR A 98 -8.706 32.059 5.121 1.00 0.00 O ATOM 0 H TYR A 98 -6.284 30.258 0.679 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.847 28.134 1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.833 28.024 0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.030 27.167 1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.590 29.173 3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.336 29.568 1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.309 30.893 5.090 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -10.060 31.303 2.996 1.00 0.00 H new ATOM 0 HH TYR A 98 -9.607 32.360 4.880 1.00 0.00 H new ATOM 1462 N LYS A 99 -5.292 25.978 -0.067 1.00 0.00 N ATOM 1463 CA LYS A 99 -5.098 24.867 -1.011 1.00 0.00 C ATOM 1464 C LYS A 99 -4.032 25.285 -2.029 1.00 0.00 C ATOM 1465 O LYS A 99 -4.332 25.636 -3.169 1.00 0.00 O ATOM 1466 CB LYS A 99 -6.472 24.463 -1.596 1.00 0.00 C ATOM 1467 CG LYS A 99 -6.536 23.084 -2.261 1.00 0.00 C ATOM 1468 CD LYS A 99 -6.091 23.051 -3.732 1.00 0.00 C ATOM 1469 CE LYS A 99 -6.326 21.640 -4.288 1.00 0.00 C ATOM 1470 NZ LYS A 99 -7.318 21.605 -5.377 1.00 0.00 N ATOM 0 H LYS A 99 -5.149 25.713 0.908 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.716 23.962 -0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.210 24.493 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.768 25.213 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.912 22.394 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.559 22.714 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.652 23.784 -4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.037 23.318 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.381 21.238 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.659 20.989 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.433 20.627 -5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.230 21.961 -5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.992 22.202 -6.163 1.00 0.00 H new ATOM 1484 N ASN A 100 -2.790 25.369 -1.549 1.00 0.00 N ATOM 1485 CA ASN A 100 -1.688 25.998 -2.268 1.00 0.00 C ATOM 1486 C ASN A 100 -1.041 24.970 -3.188 1.00 0.00 C ATOM 1487 O ASN A 100 -0.957 25.171 -4.398 1.00 0.00 O ATOM 1488 CB ASN A 100 -0.669 26.574 -1.264 1.00 0.00 C ATOM 1489 CG ASN A 100 -0.065 27.894 -1.734 1.00 0.00 C ATOM 1490 OD1 ASN A 100 0.485 28.008 -2.822 1.00 0.00 O ATOM 1491 ND2 ASN A 100 -0.149 28.914 -0.898 1.00 0.00 N ATOM 0 H ASN A 100 -2.521 24.997 -0.638 1.00 0.00 H new ATOM 0 HA ASN A 100 -2.059 26.823 -2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.158 26.725 -0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.129 25.849 -1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.249 29.818 -1.154 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.612 28.798 0.004 1.00 0.00 H new ATOM 1498 N ASP A 101 -0.590 23.851 -2.616 1.00 0.00 N ATOM 1499 CA ASP A 101 0.225 22.865 -3.321 1.00 0.00 C ATOM 1500 C ASP A 101 -0.586 22.176 -4.416 1.00 0.00 C ATOM 1501 O ASP A 101 -1.710 21.716 -4.169 1.00 0.00 O ATOM 1502 CB ASP A 101 0.790 21.832 -2.342 1.00 0.00 C ATOM 1503 CG ASP A 101 1.805 20.902 -3.015 1.00 0.00 C ATOM 1504 OD1 ASP A 101 2.538 21.370 -3.919 1.00 0.00 O ATOM 1505 OD2 ASP A 101 1.924 19.739 -2.584 1.00 0.00 O ATOM 0 H ASP A 101 -0.782 23.604 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 101 1.059 23.387 -3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.266 22.346 -1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.026 21.240 -1.928 1.00 0.00 H new ATOM 1510 N THR A 102 -0.035 22.147 -5.628 1.00 0.00 N ATOM 1511 CA THR A 102 -0.668 21.563 -6.802 1.00 0.00 C ATOM 1512 C THR A 102 -0.860 20.049 -6.619 1.00 0.00 C ATOM 1513 O THR A 102 -0.308 19.446 -5.696 1.00 0.00 O ATOM 1514 CB THR A 102 0.116 21.977 -8.061 1.00 0.00 C ATOM 1515 OG1 THR A 102 -0.673 21.785 -9.218 1.00 0.00 O ATOM 1516 CG2 THR A 102 1.446 21.236 -8.225 1.00 0.00 C ATOM 0 H THR A 102 0.886 22.539 -5.822 1.00 0.00 H new ATOM 0 HA THR A 102 -1.678 21.951 -6.935 1.00 0.00 H new ATOM 0 HB THR A 102 0.352 23.033 -7.933 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.163 22.054 -10.010 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.944 21.578 -9.132 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.083 21.437 -7.364 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.259 20.164 -8.296 1.00 0.00 H new ATOM 1524 N SER A 103 -1.701 19.448 -7.464 1.00 0.00 N ATOM 1525 CA SER A 103 -2.197 18.085 -7.335 1.00 0.00 C ATOM 1526 C SER A 103 -1.081 17.095 -7.026 1.00 0.00 C ATOM 1527 O SER A 103 -0.087 17.027 -7.757 1.00 0.00 O ATOM 1528 CB SER A 103 -2.926 17.683 -8.619 1.00 0.00 C ATOM 1529 OG SER A 103 -3.815 18.702 -9.034 1.00 0.00 O ATOM 0 H SER A 103 -2.067 19.922 -8.290 1.00 0.00 H new ATOM 0 HA SER A 103 -2.890 18.058 -6.494 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.200 17.485 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.478 16.758 -8.454 1.00 0.00 H new ATOM 0 HG SER A 103 -4.269 18.425 -9.857 1.00 0.00 H new ATOM 1535 N ASP A 104 -1.255 16.319 -5.959 1.00 0.00 N ATOM 1536 CA ASP A 104 -0.433 15.169 -5.671 1.00 0.00 C ATOM 1537 C ASP A 104 -0.866 14.057 -6.623 1.00 0.00 C ATOM 1538 O ASP A 104 -2.066 13.787 -6.777 1.00 0.00 O ATOM 1539 CB ASP A 104 -0.668 14.812 -4.210 1.00 0.00 C ATOM 1540 CG ASP A 104 0.186 13.638 -3.767 1.00 0.00 C ATOM 1541 OD1 ASP A 104 -0.155 12.501 -4.151 1.00 0.00 O ATOM 1542 OD2 ASP A 104 1.114 13.857 -2.967 1.00 0.00 O ATOM 0 H ASP A 104 -1.985 16.482 -5.266 1.00 0.00 H new ATOM 0 HA ASP A 104 0.633 15.344 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.447 15.677 -3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.721 14.572 -4.060 1.00 0.00 H new ATOM 1547 N TYR A 105 0.098 13.462 -7.319 1.00 0.00 N ATOM 1548 CA TYR A 105 -0.110 12.319 -8.188 1.00 0.00 C ATOM 1549 C TYR A 105 1.183 11.523 -8.181 1.00 0.00 C ATOM 1550 O TYR A 105 2.270 12.110 -8.274 1.00 0.00 O ATOM 1551 CB TYR A 105 -0.530 12.751 -9.609 1.00 0.00 C ATOM 1552 CG TYR A 105 0.499 13.493 -10.441 1.00 0.00 C ATOM 1553 CD1 TYR A 105 0.711 14.867 -10.235 1.00 0.00 C ATOM 1554 CD2 TYR A 105 1.205 12.829 -11.461 1.00 0.00 C ATOM 1555 CE1 TYR A 105 1.669 15.560 -10.997 1.00 0.00 C ATOM 1556 CE2 TYR A 105 2.146 13.522 -12.243 1.00 0.00 C ATOM 1557 CZ TYR A 105 2.392 14.891 -12.005 1.00 0.00 C ATOM 1558 OH TYR A 105 3.306 15.585 -12.732 1.00 0.00 O ATOM 0 H TYR A 105 1.069 13.773 -7.290 1.00 0.00 H new ATOM 0 HA TYR A 105 -0.932 11.701 -7.827 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -0.829 11.859 -10.159 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -1.414 13.383 -9.522 1.00 0.00 H new ATOM 0 HD1 TYR A 105 0.136 15.393 -9.488 1.00 0.00 H new ATOM 0 HD2 TYR A 105 1.023 11.780 -11.644 1.00 0.00 H new ATOM 0 HE1 TYR A 105 1.851 16.608 -10.809 1.00 0.00 H new ATOM 0 HE2 TYR A 105 2.681 13.006 -13.027 1.00 0.00 H new ATOM 0 HH TYR A 105 3.724 14.988 -13.388 1.00 0.00 H new ATOM 1568 N GLY A 106 1.072 10.202 -8.075 1.00 0.00 N ATOM 1569 CA GLY A 106 2.219 9.323 -8.083 1.00 0.00 C ATOM 1570 C GLY A 106 1.837 7.936 -8.550 1.00 0.00 C ATOM 1571 O GLY A 106 0.653 7.587 -8.569 1.00 0.00 O ATOM 0 H GLY A 106 0.179 9.718 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.990 9.731 -8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.647 9.268 -7.082 1.00 0.00 H new ATOM 1575 N PHE A 107 2.857 7.158 -8.904 1.00 0.00 N ATOM 1576 CA PHE A 107 2.688 5.855 -9.550 1.00 0.00 C ATOM 1577 C PHE A 107 3.495 4.826 -8.776 1.00 0.00 C ATOM 1578 O PHE A 107 4.718 4.956 -8.675 1.00 0.00 O ATOM 1579 CB PHE A 107 3.107 5.906 -11.033 1.00 0.00 C ATOM 1580 CG PHE A 107 2.030 5.500 -12.025 1.00 0.00 C ATOM 1581 CD1 PHE A 107 1.467 4.208 -11.980 1.00 0.00 C ATOM 1582 CD2 PHE A 107 1.627 6.397 -13.033 1.00 0.00 C ATOM 1583 CE1 PHE A 107 0.514 3.820 -12.940 1.00 0.00 C ATOM 1584 CE2 PHE A 107 0.666 6.010 -13.984 1.00 0.00 C ATOM 1585 CZ PHE A 107 0.111 4.720 -13.942 1.00 0.00 C ATOM 0 H PHE A 107 3.832 7.414 -8.750 1.00 0.00 H new ATOM 0 HA PHE A 107 1.635 5.573 -9.537 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.431 6.920 -11.268 1.00 0.00 H new ATOM 0 HB3 PHE A 107 3.970 5.256 -11.172 1.00 0.00 H new ATOM 0 HD1 PHE A 107 1.768 3.515 -11.208 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.058 7.386 -13.076 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.091 2.827 -12.907 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.354 6.706 -14.748 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.622 4.421 -14.676 1.00 0.00 H new ATOM 1595 N SER A 108 2.835 3.833 -8.194 1.00 0.00 N ATOM 1596 CA SER A 108 3.521 2.786 -7.445 1.00 0.00 C ATOM 1597 C SER A 108 3.973 1.737 -8.467 1.00 0.00 C ATOM 1598 O SER A 108 3.249 1.475 -9.438 1.00 0.00 O ATOM 1599 CB SER A 108 2.586 2.208 -6.370 1.00 0.00 C ATOM 1600 OG SER A 108 1.694 3.210 -5.897 1.00 0.00 O ATOM 0 H SER A 108 1.821 3.730 -8.226 1.00 0.00 H new ATOM 0 HA SER A 108 4.391 3.167 -6.911 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.019 1.373 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.174 1.815 -5.541 1.00 0.00 H new ATOM 0 HG SER A 108 1.104 2.827 -5.215 1.00 0.00 H new ATOM 1606 N TYR A 109 5.158 1.157 -8.274 1.00 0.00 N ATOM 1607 CA TYR A 109 5.698 0.123 -9.144 1.00 0.00 C ATOM 1608 C TYR A 109 6.544 -0.811 -8.284 1.00 0.00 C ATOM 1609 O TYR A 109 7.658 -0.435 -7.905 1.00 0.00 O ATOM 1610 CB TYR A 109 6.516 0.763 -10.288 1.00 0.00 C ATOM 1611 CG TYR A 109 6.168 0.367 -11.712 1.00 0.00 C ATOM 1612 CD1 TYR A 109 5.610 -0.892 -12.026 1.00 0.00 C ATOM 1613 CD2 TYR A 109 6.474 1.272 -12.747 1.00 0.00 C ATOM 1614 CE1 TYR A 109 5.324 -1.221 -13.362 1.00 0.00 C ATOM 1615 CE2 TYR A 109 6.192 0.945 -14.082 1.00 0.00 C ATOM 1616 CZ TYR A 109 5.610 -0.301 -14.395 1.00 0.00 C ATOM 1617 OH TYR A 109 5.307 -0.586 -15.684 1.00 0.00 O ATOM 0 H TYR A 109 5.774 1.398 -7.498 1.00 0.00 H new ATOM 0 HA TYR A 109 4.900 -0.451 -9.615 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.416 1.845 -10.207 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.567 0.527 -10.122 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.403 -1.602 -11.239 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.928 2.223 -12.512 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.885 -2.179 -13.599 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.421 1.647 -14.870 1.00 0.00 H new ATOM 0 HH TYR A 109 5.574 0.163 -16.256 1.00 0.00 H new ATOM 1627 N GLY A 110 6.063 -2.002 -7.926 1.00 0.00 N ATOM 1628 CA GLY A 110 6.826 -2.854 -7.019 1.00 0.00 C ATOM 1629 C GLY A 110 6.053 -4.074 -6.549 1.00 0.00 C ATOM 1630 O GLY A 110 5.246 -4.624 -7.297 1.00 0.00 O ATOM 0 H GLY A 110 5.173 -2.389 -8.241 1.00 0.00 H new ATOM 0 HA2 GLY A 110 7.738 -3.181 -7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.130 -2.269 -6.151 1.00 0.00 H new ATOM 1634 N ALA A 111 6.398 -4.511 -5.337 1.00 0.00 N ATOM 1635 CA ALA A 111 5.682 -5.368 -4.404 1.00 0.00 C ATOM 1636 C ALA A 111 4.863 -6.505 -5.037 1.00 0.00 C ATOM 1637 O ALA A 111 3.632 -6.464 -4.978 1.00 0.00 O ATOM 1638 CB ALA A 111 4.823 -4.453 -3.514 1.00 0.00 C ATOM 0 H ALA A 111 7.298 -4.235 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 111 6.421 -5.916 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.268 -5.059 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.468 -3.757 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.123 -3.894 -4.135 1.00 0.00 H new ATOM 1644 N GLY A 112 5.515 -7.549 -5.581 1.00 0.00 N ATOM 1645 CA GLY A 112 4.791 -8.752 -5.993 1.00 0.00 C ATOM 1646 C GLY A 112 5.447 -10.052 -5.541 1.00 0.00 C ATOM 1647 O GLY A 112 5.303 -11.050 -6.245 1.00 0.00 O ATOM 0 H GLY A 112 6.522 -7.580 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.778 -8.709 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.705 -8.758 -7.080 1.00 0.00 H new ATOM 1651 N LEU A 113 6.160 -10.093 -4.403 1.00 0.00 N ATOM 1652 CA LEU A 113 6.936 -11.280 -4.019 1.00 0.00 C ATOM 1653 C LEU A 113 6.349 -11.882 -2.749 1.00 0.00 C ATOM 1654 O LEU A 113 5.989 -11.147 -1.830 1.00 0.00 O ATOM 1655 CB LEU A 113 8.429 -10.995 -3.780 1.00 0.00 C ATOM 1656 CG LEU A 113 9.129 -10.012 -4.734 1.00 0.00 C ATOM 1657 CD1 LEU A 113 9.130 -8.603 -4.123 1.00 0.00 C ATOM 1658 CD2 LEU A 113 10.575 -10.455 -4.973 1.00 0.00 C ATOM 0 H LEU A 113 6.214 -9.322 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 113 6.870 -11.971 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.540 -10.614 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.963 -11.944 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 113 8.590 -10.000 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.627 -7.912 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.103 -8.276 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.661 -8.620 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.063 -9.754 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.111 -10.476 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.582 -11.451 -5.416 1.00 0.00 H new ATOM 1670 N GLN A 114 6.290 -13.207 -2.651 1.00 0.00 N ATOM 1671 CA GLN A 114 5.723 -13.950 -1.523 1.00 0.00 C ATOM 1672 C GLN A 114 6.768 -14.931 -0.987 1.00 0.00 C ATOM 1673 O GLN A 114 7.676 -15.316 -1.731 1.00 0.00 O ATOM 1674 CB GLN A 114 4.465 -14.716 -1.982 1.00 0.00 C ATOM 1675 CG GLN A 114 3.441 -14.899 -0.854 1.00 0.00 C ATOM 1676 CD GLN A 114 2.437 -16.010 -1.146 1.00 0.00 C ATOM 1677 OE1 GLN A 114 1.352 -15.758 -1.670 1.00 0.00 O ATOM 1678 NE2 GLN A 114 2.745 -17.243 -0.780 1.00 0.00 N ATOM 0 H GLN A 114 6.650 -13.820 -3.383 1.00 0.00 H new ATOM 0 HA GLN A 114 5.442 -13.255 -0.732 1.00 0.00 H new ATOM 0 HB2 GLN A 114 3.998 -14.179 -2.808 1.00 0.00 H new ATOM 0 HB3 GLN A 114 4.759 -15.694 -2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.966 -15.124 0.075 1.00 0.00 H new ATOM 0 HG3 GLN A 114 2.906 -13.962 -0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.648 -17.436 -0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.079 -18.001 -0.931 1.00 0.00 H new ATOM 1687 N PHE A 115 6.609 -15.387 0.259 1.00 0.00 N ATOM 1688 CA PHE A 115 7.218 -16.630 0.724 1.00 0.00 C ATOM 1689 C PHE A 115 6.115 -17.619 1.099 1.00 0.00 C ATOM 1690 O PHE A 115 4.935 -17.255 1.161 1.00 0.00 O ATOM 1691 CB PHE A 115 8.153 -16.339 1.904 1.00 0.00 C ATOM 1692 CG PHE A 115 9.546 -15.944 1.479 1.00 0.00 C ATOM 1693 CD1 PHE A 115 10.476 -16.951 1.173 1.00 0.00 C ATOM 1694 CD2 PHE A 115 9.900 -14.590 1.330 1.00 0.00 C ATOM 1695 CE1 PHE A 115 11.745 -16.608 0.686 1.00 0.00 C ATOM 1696 CE2 PHE A 115 11.171 -14.248 0.834 1.00 0.00 C ATOM 1697 CZ PHE A 115 12.085 -15.259 0.491 1.00 0.00 C ATOM 0 H PHE A 115 6.057 -14.905 0.968 1.00 0.00 H new ATOM 0 HA PHE A 115 7.819 -17.078 -0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 115 7.725 -15.540 2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 115 8.211 -17.223 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 115 10.214 -17.989 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 115 9.197 -13.815 1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 115 12.463 -17.383 0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.444 -13.210 0.717 1.00 0.00 H new ATOM 0 HZ PHE A 115 13.048 -14.999 0.078 1.00 0.00 H new ATOM 1707 N ASN A 116 6.499 -18.867 1.366 1.00 0.00 N ATOM 1708 CA ASN A 116 5.635 -19.850 2.009 1.00 0.00 C ATOM 1709 C ASN A 116 5.411 -19.375 3.454 1.00 0.00 C ATOM 1710 O ASN A 116 6.404 -19.066 4.115 1.00 0.00 O ATOM 1711 CB ASN A 116 6.302 -21.239 1.968 1.00 0.00 C ATOM 1712 CG ASN A 116 5.273 -22.296 1.615 1.00 0.00 C ATOM 1713 OD1 ASN A 116 4.397 -22.636 2.402 1.00 0.00 O ATOM 1714 ND2 ASN A 116 5.313 -22.811 0.397 1.00 0.00 N ATOM 0 H ASN A 116 7.427 -19.225 1.139 1.00 0.00 H new ATOM 0 HA ASN A 116 4.678 -19.939 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 116 7.107 -21.244 1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 116 6.751 -21.465 2.935 1.00 0.00 H new ATOM 0 HD21 ASN A 116 4.613 -23.494 0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.044 -22.525 -0.254 1.00 0.00 H new ATOM 1721 N PRO A 117 4.177 -19.193 3.949 1.00 0.00 N ATOM 1722 CA PRO A 117 3.949 -18.657 5.289 1.00 0.00 C ATOM 1723 C PRO A 117 4.033 -19.770 6.345 1.00 0.00 C ATOM 1724 O PRO A 117 3.613 -20.902 6.086 1.00 0.00 O ATOM 1725 CB PRO A 117 2.541 -18.070 5.205 1.00 0.00 C ATOM 1726 CG PRO A 117 1.818 -19.035 4.260 1.00 0.00 C ATOM 1727 CD PRO A 117 2.913 -19.404 3.256 1.00 0.00 C ATOM 0 HA PRO A 117 4.692 -17.918 5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 117 2.062 -18.029 6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 117 2.551 -17.053 4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 117 1.440 -19.911 4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 117 0.965 -18.563 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 117 2.813 -20.440 2.932 1.00 0.00 H new ATOM 0 HD3 PRO A 117 2.849 -18.783 2.362 1.00 0.00 H new ATOM 1735 N MET A 118 4.508 -19.462 7.555 1.00 0.00 N ATOM 1736 CA MET A 118 4.582 -20.421 8.659 1.00 0.00 C ATOM 1737 C MET A 118 4.675 -19.659 9.979 1.00 0.00 C ATOM 1738 O MET A 118 4.933 -18.464 9.984 1.00 0.00 O ATOM 1739 CB MET A 118 5.846 -21.285 8.485 1.00 0.00 C ATOM 1740 CG MET A 118 5.658 -22.740 8.901 1.00 0.00 C ATOM 1741 SD MET A 118 7.119 -23.750 8.532 1.00 0.00 S ATOM 1742 CE MET A 118 6.378 -25.382 8.755 1.00 0.00 C ATOM 0 H MET A 118 4.854 -18.534 7.797 1.00 0.00 H new ATOM 0 HA MET A 118 3.695 -21.055 8.662 1.00 0.00 H new ATOM 0 HB2 MET A 118 6.156 -21.252 7.441 1.00 0.00 H new ATOM 0 HB3 MET A 118 6.655 -20.851 9.072 1.00 0.00 H new ATOM 0 HG2 MET A 118 5.446 -22.787 9.969 1.00 0.00 H new ATOM 0 HG3 MET A 118 4.792 -23.155 8.386 1.00 0.00 H new ATOM 0 HE1 MET A 118 7.128 -26.151 8.570 1.00 0.00 H new ATOM 0 HE2 MET A 118 6.006 -25.476 9.775 1.00 0.00 H new ATOM 0 HE3 MET A 118 5.552 -25.505 8.055 1.00 0.00 H new ATOM 1752 N GLU A 119 4.487 -20.317 11.116 1.00 0.00 N ATOM 1753 CA GLU A 119 5.091 -19.921 12.404 1.00 0.00 C ATOM 1754 C GLU A 119 4.312 -18.780 13.045 1.00 0.00 C ATOM 1755 O GLU A 119 4.811 -18.116 13.945 1.00 0.00 O ATOM 1756 CB GLU A 119 6.602 -19.583 12.270 1.00 0.00 C ATOM 1757 CG GLU A 119 7.395 -19.731 13.587 1.00 0.00 C ATOM 1758 CD GLU A 119 7.779 -18.453 14.356 1.00 0.00 C ATOM 1759 OE1 GLU A 119 8.374 -17.526 13.767 1.00 0.00 O ATOM 1760 OE2 GLU A 119 7.672 -18.462 15.611 1.00 0.00 O ATOM 0 H GLU A 119 3.905 -21.152 11.182 1.00 0.00 H new ATOM 0 HA GLU A 119 5.027 -20.783 13.068 1.00 0.00 H new ATOM 0 HB2 GLU A 119 7.044 -20.234 11.516 1.00 0.00 H new ATOM 0 HB3 GLU A 119 6.705 -18.560 11.908 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.810 -20.360 14.258 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.314 -20.273 13.363 1.00 0.00 H new ATOM 1767 N ASN A 120 3.084 -18.544 12.574 1.00 0.00 N ATOM 1768 CA ASN A 120 2.285 -17.377 12.916 1.00 0.00 C ATOM 1769 C ASN A 120 2.914 -16.085 12.385 1.00 0.00 C ATOM 1770 O ASN A 120 2.547 -15.021 12.863 1.00 0.00 O ATOM 1771 CB ASN A 120 1.904 -17.354 14.421 1.00 0.00 C ATOM 1772 CG ASN A 120 0.674 -18.192 14.712 1.00 0.00 C ATOM 1773 OD1 ASN A 120 -0.221 -17.771 15.440 1.00 0.00 O ATOM 1774 ND2 ASN A 120 0.593 -19.396 14.177 1.00 0.00 N ATOM 0 H ASN A 120 2.612 -19.178 11.929 1.00 0.00 H new ATOM 0 HA ASN A 120 1.329 -17.452 12.397 1.00 0.00 H new ATOM 0 HB2 ASN A 120 2.742 -17.724 15.012 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.723 -16.325 14.733 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -0.218 -19.985 14.367 1.00 0.00 H new ATOM 0 HD22 ASN A 120 1.341 -19.737 13.574 1.00 0.00 H new ATOM 1781 N VAL A 121 3.776 -16.144 11.362 1.00 0.00 N ATOM 1782 CA VAL A 121 4.187 -15.002 10.547 1.00 0.00 C ATOM 1783 C VAL A 121 4.066 -15.356 9.052 1.00 0.00 C ATOM 1784 O VAL A 121 4.764 -16.220 8.524 1.00 0.00 O ATOM 1785 CB VAL A 121 5.584 -14.509 10.981 1.00 0.00 C ATOM 1786 CG1 VAL A 121 5.494 -13.784 12.334 1.00 0.00 C ATOM 1787 CG2 VAL A 121 6.622 -15.629 11.131 1.00 0.00 C ATOM 0 H VAL A 121 4.218 -17.016 11.073 1.00 0.00 H new ATOM 0 HA VAL A 121 3.519 -14.156 10.708 1.00 0.00 H new ATOM 0 HB VAL A 121 5.914 -13.846 10.181 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.485 -13.441 12.630 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.826 -12.928 12.244 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.107 -14.469 13.089 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.577 -15.202 11.438 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.284 -16.340 11.885 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.744 -16.142 10.177 1.00 0.00 H new ATOM 1797 N ALA A 122 3.117 -14.753 8.330 1.00 0.00 N ATOM 1798 CA ALA A 122 3.201 -14.756 6.868 1.00 0.00 C ATOM 1799 C ALA A 122 4.334 -13.816 6.467 1.00 0.00 C ATOM 1800 O ALA A 122 4.643 -12.914 7.240 1.00 0.00 O ATOM 1801 CB ALA A 122 1.888 -14.285 6.253 1.00 0.00 C ATOM 0 H ALA A 122 2.306 -14.271 8.719 1.00 0.00 H new ATOM 0 HA ALA A 122 3.393 -15.766 6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 122 1.971 -14.294 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 122 1.082 -14.951 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 122 1.670 -13.272 6.591 1.00 0.00 H new ATOM 1807 N LEU A 123 4.909 -13.975 5.270 1.00 0.00 N ATOM 1808 CA LEU A 123 5.990 -13.118 4.809 1.00 0.00 C ATOM 1809 C LEU A 123 5.538 -12.467 3.509 1.00 0.00 C ATOM 1810 O LEU A 123 5.046 -13.156 2.600 1.00 0.00 O ATOM 1811 CB LEU A 123 7.293 -13.921 4.648 1.00 0.00 C ATOM 1812 CG LEU A 123 8.282 -13.885 5.831 1.00 0.00 C ATOM 1813 CD1 LEU A 123 8.746 -12.459 6.156 1.00 0.00 C ATOM 1814 CD2 LEU A 123 7.733 -14.564 7.093 1.00 0.00 C ATOM 0 H LEU A 123 4.636 -14.697 4.603 1.00 0.00 H new ATOM 0 HA LEU A 123 6.210 -12.340 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.030 -14.961 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.810 -13.555 3.761 1.00 0.00 H new ATOM 0 HG LEU A 123 9.146 -14.460 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.441 -12.485 6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.244 -12.031 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 123 7.883 -11.846 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.475 -14.506 7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 123 6.820 -14.060 7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.513 -15.610 6.877 1.00 0.00 H new ATOM 1826 N ASP A 124 5.686 -11.147 3.423 1.00 0.00 N ATOM 1827 CA ASP A 124 5.441 -10.353 2.222 1.00 0.00 C ATOM 1828 C ASP A 124 6.596 -9.354 2.065 1.00 0.00 C ATOM 1829 O ASP A 124 7.416 -9.224 2.978 1.00 0.00 O ATOM 1830 CB ASP A 124 4.053 -9.705 2.348 1.00 0.00 C ATOM 1831 CG ASP A 124 3.618 -8.898 1.129 1.00 0.00 C ATOM 1832 OD1 ASP A 124 4.121 -9.160 0.017 1.00 0.00 O ATOM 1833 OD2 ASP A 124 2.712 -8.049 1.260 1.00 0.00 O ATOM 0 H ASP A 124 5.990 -10.581 4.215 1.00 0.00 H new ATOM 0 HA ASP A 124 5.422 -10.953 1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 124 3.316 -10.487 2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 124 4.049 -9.052 3.221 1.00 0.00 H new ATOM 1838 N PHE A 125 6.729 -8.706 0.907 1.00 0.00 N ATOM 1839 CA PHE A 125 7.706 -7.652 0.672 1.00 0.00 C ATOM 1840 C PHE A 125 7.001 -6.530 -0.081 1.00 0.00 C ATOM 1841 O PHE A 125 6.616 -6.712 -1.240 1.00 0.00 O ATOM 1842 CB PHE A 125 8.940 -8.183 -0.091 1.00 0.00 C ATOM 1843 CG PHE A 125 10.227 -8.174 0.717 1.00 0.00 C ATOM 1844 CD1 PHE A 125 10.422 -9.113 1.748 1.00 0.00 C ATOM 1845 CD2 PHE A 125 11.236 -7.226 0.447 1.00 0.00 C ATOM 1846 CE1 PHE A 125 11.604 -9.097 2.508 1.00 0.00 C ATOM 1847 CE2 PHE A 125 12.428 -7.224 1.196 1.00 0.00 C ATOM 1848 CZ PHE A 125 12.609 -8.156 2.232 1.00 0.00 C ATOM 0 H PHE A 125 6.148 -8.906 0.093 1.00 0.00 H new ATOM 0 HA PHE A 125 8.090 -7.272 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.738 -9.203 -0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.084 -7.581 -0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.659 -9.849 1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 125 11.093 -6.498 -0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 125 11.740 -9.811 3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 125 13.204 -6.506 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 125 13.519 -8.149 2.814 1.00 0.00 H new ATOM 1858 N SER A 126 6.877 -5.372 0.564 1.00 0.00 N ATOM 1859 CA SER A 126 6.382 -4.145 -0.036 1.00 0.00 C ATOM 1860 C SER A 126 7.515 -3.133 0.080 1.00 0.00 C ATOM 1861 O SER A 126 7.911 -2.772 1.190 1.00 0.00 O ATOM 1862 CB SER A 126 5.110 -3.639 0.659 1.00 0.00 C ATOM 1863 OG SER A 126 4.266 -4.682 1.129 1.00 0.00 O ATOM 0 H SER A 126 7.127 -5.263 1.547 1.00 0.00 H new ATOM 0 HA SER A 126 6.100 -4.310 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 126 5.393 -3.005 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 126 4.549 -3.015 -0.037 1.00 0.00 H new ATOM 0 HG SER A 126 3.477 -4.294 1.562 1.00 0.00 H new ATOM 1869 N TYR A 127 8.063 -2.727 -1.062 1.00 0.00 N ATOM 1870 CA TYR A 127 9.167 -1.795 -1.150 1.00 0.00 C ATOM 1871 C TYR A 127 8.836 -0.854 -2.295 1.00 0.00 C ATOM 1872 O TYR A 127 8.907 -1.256 -3.461 1.00 0.00 O ATOM 1873 CB TYR A 127 10.474 -2.564 -1.377 1.00 0.00 C ATOM 1874 CG TYR A 127 11.682 -1.716 -1.070 1.00 0.00 C ATOM 1875 CD1 TYR A 127 12.066 -1.581 0.272 1.00 0.00 C ATOM 1876 CD2 TYR A 127 12.394 -1.041 -2.083 1.00 0.00 C ATOM 1877 CE1 TYR A 127 13.155 -0.771 0.605 1.00 0.00 C ATOM 1878 CE2 TYR A 127 13.485 -0.216 -1.744 1.00 0.00 C ATOM 1879 CZ TYR A 127 13.863 -0.068 -0.389 1.00 0.00 C ATOM 1880 OH TYR A 127 14.919 0.709 -0.032 1.00 0.00 O ATOM 0 H TYR A 127 7.737 -3.050 -1.973 1.00 0.00 H new ATOM 0 HA TYR A 127 9.307 -1.222 -0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 127 10.486 -3.455 -0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 127 10.521 -2.903 -2.412 1.00 0.00 H new ATOM 0 HD1 TYR A 127 11.522 -2.102 1.046 1.00 0.00 H new ATOM 0 HD2 TYR A 127 12.104 -1.156 -3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 127 13.458 -0.683 1.638 1.00 0.00 H new ATOM 0 HE2 TYR A 127 14.032 0.303 -2.518 1.00 0.00 H new ATOM 0 HH TYR A 127 15.303 1.127 -0.831 1.00 0.00 H new ATOM 1890 N GLU A 128 8.413 0.364 -1.974 1.00 0.00 N ATOM 1891 CA GLU A 128 7.658 1.214 -2.882 1.00 0.00 C ATOM 1892 C GLU A 128 8.302 2.599 -2.889 1.00 0.00 C ATOM 1893 O GLU A 128 8.844 3.045 -1.873 1.00 0.00 O ATOM 1894 CB GLU A 128 6.187 1.242 -2.432 1.00 0.00 C ATOM 1895 CG GLU A 128 5.523 -0.154 -2.406 1.00 0.00 C ATOM 1896 CD GLU A 128 4.051 -0.104 -1.981 1.00 0.00 C ATOM 1897 OE1 GLU A 128 3.728 0.510 -0.945 1.00 0.00 O ATOM 1898 OE2 GLU A 128 3.192 -0.721 -2.657 1.00 0.00 O ATOM 0 H GLU A 128 8.588 0.792 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 128 7.675 0.833 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 128 6.128 1.682 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.623 1.891 -3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 128 5.595 -0.604 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.072 -0.800 -1.721 1.00 0.00 H new ATOM 1905 N GLN A 129 8.304 3.271 -4.038 1.00 0.00 N ATOM 1906 CA GLN A 129 9.031 4.522 -4.223 1.00 0.00 C ATOM 1907 C GLN A 129 8.054 5.491 -4.864 1.00 0.00 C ATOM 1908 O GLN A 129 7.527 5.192 -5.940 1.00 0.00 O ATOM 1909 CB GLN A 129 10.297 4.249 -5.059 1.00 0.00 C ATOM 1910 CG GLN A 129 11.056 5.512 -5.481 1.00 0.00 C ATOM 1911 CD GLN A 129 12.429 5.195 -6.056 1.00 0.00 C ATOM 1912 OE1 GLN A 129 12.539 5.037 -7.365 1.00 0.00 O flip ATOM 1913 NE2 GLN A 129 13.434 5.162 -5.361 1.00 0.00 N flip ATOM 0 H GLN A 129 7.800 2.961 -4.869 1.00 0.00 H new ATOM 0 HA GLN A 129 9.387 4.963 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 129 10.968 3.611 -4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 129 10.015 3.692 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 129 10.470 6.055 -6.223 1.00 0.00 H new ATOM 0 HG3 GLN A 129 11.168 6.171 -4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 129 13.360 5.283 -4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 129 14.347 5.014 -5.791 1.00 0.00 H new ATOM 1922 N SER A 130 7.797 6.639 -4.235 1.00 0.00 N ATOM 1923 CA SER A 130 6.830 7.605 -4.726 1.00 0.00 C ATOM 1924 C SER A 130 7.437 8.994 -4.714 1.00 0.00 C ATOM 1925 O SER A 130 8.045 9.396 -3.722 1.00 0.00 O ATOM 1926 CB SER A 130 5.503 7.505 -3.967 1.00 0.00 C ATOM 1927 OG SER A 130 4.419 7.599 -4.876 1.00 0.00 O ATOM 0 H SER A 130 8.258 6.920 -3.369 1.00 0.00 H new ATOM 0 HA SER A 130 6.584 7.376 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.454 6.560 -3.426 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.437 8.301 -3.225 1.00 0.00 H new ATOM 0 HG SER A 130 3.574 7.533 -4.385 1.00 0.00 H new ATOM 1933 N ARG A 131 7.349 9.697 -5.852 1.00 0.00 N ATOM 1934 CA ARG A 131 8.036 10.992 -5.964 1.00 0.00 C ATOM 1935 C ARG A 131 7.142 12.016 -6.634 1.00 0.00 C ATOM 1936 O ARG A 131 7.105 12.144 -7.863 1.00 0.00 O ATOM 1937 CB ARG A 131 9.417 10.848 -6.637 1.00 0.00 C ATOM 1938 CG ARG A 131 10.487 10.510 -5.583 1.00 0.00 C ATOM 1939 CD ARG A 131 11.918 10.571 -6.120 1.00 0.00 C ATOM 1940 NE ARG A 131 12.391 9.285 -6.658 1.00 0.00 N ATOM 1941 CZ ARG A 131 13.679 9.009 -6.902 1.00 0.00 C ATOM 1942 NH1 ARG A 131 14.597 9.963 -6.790 1.00 0.00 N ATOM 1943 NH2 ARG A 131 14.063 7.789 -7.265 1.00 0.00 N ATOM 0 H ARG A 131 6.829 9.406 -6.680 1.00 0.00 H new ATOM 0 HA ARG A 131 8.239 11.365 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 131 9.381 10.065 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 131 9.679 11.774 -7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 131 10.392 11.202 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 131 10.297 9.510 -5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 131 11.973 11.327 -6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 131 12.586 10.891 -5.320 1.00 0.00 H new ATOM 0 HE ARG A 131 11.699 8.563 -6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 131 14.321 10.907 -6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 131 15.577 9.752 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 131 13.372 7.045 -7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 131 15.048 7.597 -7.447 1.00 0.00 H new ATOM 1957 N ILE A 132 6.486 12.809 -5.797 1.00 0.00 N ATOM 1958 CA ILE A 132 5.504 13.796 -6.189 1.00 0.00 C ATOM 1959 C ILE A 132 6.281 15.078 -6.447 1.00 0.00 C ATOM 1960 O ILE A 132 6.597 15.813 -5.519 1.00 0.00 O ATOM 1961 CB ILE A 132 4.411 13.893 -5.094 1.00 0.00 C ATOM 1962 CG1 ILE A 132 3.600 12.573 -5.064 1.00 0.00 C ATOM 1963 CG2 ILE A 132 3.447 15.073 -5.305 1.00 0.00 C ATOM 1964 CD1 ILE A 132 4.040 11.614 -3.956 1.00 0.00 C ATOM 0 H ILE A 132 6.633 12.776 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 132 4.958 13.545 -7.099 1.00 0.00 H new ATOM 0 HB ILE A 132 4.923 14.062 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 132 2.544 12.807 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 132 3.699 12.073 -6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 132 2.706 15.085 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 132 4.008 16.008 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 132 2.943 14.964 -6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.431 10.711 -3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.088 11.350 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 132 3.915 12.096 -2.987 1.00 0.00 H new ATOM 1976 N ARG A 133 6.627 15.344 -7.710 1.00 0.00 N ATOM 1977 CA ARG A 133 7.211 16.618 -8.142 1.00 0.00 C ATOM 1978 C ARG A 133 8.414 17.030 -7.272 1.00 0.00 C ATOM 1979 O ARG A 133 8.491 18.153 -6.772 1.00 0.00 O ATOM 1980 CB ARG A 133 6.060 17.637 -8.208 1.00 0.00 C ATOM 1981 CG ARG A 133 6.407 18.971 -8.875 1.00 0.00 C ATOM 1982 CD ARG A 133 5.109 19.745 -9.120 1.00 0.00 C ATOM 1983 NE ARG A 133 5.365 21.178 -9.291 1.00 0.00 N ATOM 1984 CZ ARG A 133 5.229 22.106 -8.336 1.00 0.00 C ATOM 1985 NH1 ARG A 133 4.706 21.821 -7.143 1.00 0.00 N ATOM 1986 NH2 ARG A 133 5.637 23.332 -8.605 1.00 0.00 N ATOM 0 H ARG A 133 6.508 14.674 -8.470 1.00 0.00 H new ATOM 0 HA ARG A 133 7.655 16.544 -9.135 1.00 0.00 H new ATOM 0 HB2 ARG A 133 5.227 17.186 -8.747 1.00 0.00 H new ATOM 0 HB3 ARG A 133 5.713 17.836 -7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 133 7.078 19.549 -8.239 1.00 0.00 H new ATOM 0 HG3 ARG A 133 6.929 18.799 -9.816 1.00 0.00 H new ATOM 0 HD2 ARG A 133 4.613 19.354 -10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 133 4.429 19.593 -8.282 1.00 0.00 H new ATOM 0 HE ARG A 133 5.671 21.493 -10.211 1.00 0.00 H new ATOM 0 HH11 ARG A 133 4.395 20.872 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 133 4.617 22.552 -6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 133 6.040 23.547 -9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 133 5.549 24.065 -7.901 1.00 0.00 H new ATOM 2000 N SER A 134 9.364 16.108 -7.099 1.00 0.00 N ATOM 2001 CA SER A 134 10.593 16.245 -6.316 1.00 0.00 C ATOM 2002 C SER A 134 10.381 16.131 -4.805 1.00 0.00 C ATOM 2003 O SER A 134 11.374 16.143 -4.082 1.00 0.00 O ATOM 2004 CB SER A 134 11.377 17.515 -6.700 1.00 0.00 C ATOM 2005 OG SER A 134 12.777 17.367 -6.504 1.00 0.00 O ATOM 0 H SER A 134 9.290 15.187 -7.530 1.00 0.00 H new ATOM 0 HA SER A 134 11.208 15.386 -6.583 1.00 0.00 H new ATOM 0 HB2 SER A 134 11.183 17.757 -7.745 1.00 0.00 H new ATOM 0 HB3 SER A 134 11.016 18.355 -6.106 1.00 0.00 H new ATOM 0 HG SER A 134 12.942 16.916 -5.650 1.00 0.00 H new ATOM 2011 N VAL A 135 9.157 15.964 -4.309 1.00 0.00 N ATOM 2012 CA VAL A 135 8.908 15.599 -2.925 1.00 0.00 C ATOM 2013 C VAL A 135 9.076 14.077 -2.859 1.00 0.00 C ATOM 2014 O VAL A 135 8.300 13.333 -3.466 1.00 0.00 O ATOM 2015 CB VAL A 135 7.506 16.079 -2.482 1.00 0.00 C ATOM 2016 CG1 VAL A 135 7.300 15.881 -0.976 1.00 0.00 C ATOM 2017 CG2 VAL A 135 7.300 17.580 -2.769 1.00 0.00 C ATOM 0 H VAL A 135 8.308 16.080 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 135 9.602 16.078 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 135 6.793 15.483 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 135 6.305 16.228 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 135 7.398 14.823 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 135 8.051 16.451 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.304 17.879 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 135 8.048 18.160 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.403 17.763 -3.839 1.00 0.00 H new ATOM 2027 N ASP A 136 10.133 13.632 -2.180 1.00 0.00 N ATOM 2028 CA ASP A 136 10.340 12.250 -1.760 1.00 0.00 C ATOM 2029 C ASP A 136 9.184 11.859 -0.848 1.00 0.00 C ATOM 2030 O ASP A 136 8.966 12.552 0.147 1.00 0.00 O ATOM 2031 CB ASP A 136 11.673 12.130 -0.995 1.00 0.00 C ATOM 2032 CG ASP A 136 12.835 11.672 -1.874 1.00 0.00 C ATOM 2033 OD1 ASP A 136 12.697 10.624 -2.543 1.00 0.00 O ATOM 2034 OD2 ASP A 136 13.922 12.301 -1.832 1.00 0.00 O ATOM 0 H ASP A 136 10.895 14.248 -1.898 1.00 0.00 H new ATOM 0 HA ASP A 136 10.379 11.591 -2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 136 11.919 13.096 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 136 11.550 11.426 -0.172 1.00 0.00 H new ATOM 2039 N VAL A 137 8.438 10.801 -1.179 1.00 0.00 N ATOM 2040 CA VAL A 137 7.381 10.230 -0.345 1.00 0.00 C ATOM 2041 C VAL A 137 7.519 8.699 -0.436 1.00 0.00 C ATOM 2042 O VAL A 137 6.679 7.992 -1.004 1.00 0.00 O ATOM 2043 CB VAL A 137 5.992 10.776 -0.761 1.00 0.00 C ATOM 2044 CG1 VAL A 137 4.905 10.315 0.224 1.00 0.00 C ATOM 2045 CG2 VAL A 137 5.923 12.315 -0.807 1.00 0.00 C ATOM 0 H VAL A 137 8.558 10.305 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 137 7.479 10.523 0.700 1.00 0.00 H new ATOM 0 HB VAL A 137 5.827 10.381 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.939 10.711 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.864 9.226 0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.141 10.681 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.922 12.626 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 137 6.149 12.719 0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 137 6.649 12.690 -1.528 1.00 0.00 H new ATOM 2055 N GLY A 138 8.628 8.169 0.087 1.00 0.00 N ATOM 2056 CA GLY A 138 8.980 6.757 -0.063 1.00 0.00 C ATOM 2057 C GLY A 138 8.431 5.949 1.097 1.00 0.00 C ATOM 2058 O GLY A 138 8.434 6.422 2.228 1.00 0.00 O ATOM 0 H GLY A 138 9.306 8.708 0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 138 8.581 6.374 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.064 6.649 -0.109 1.00 0.00 H new ATOM 2062 N THR A 139 8.015 4.708 0.856 1.00 0.00 N ATOM 2063 CA THR A 139 7.335 3.879 1.843 1.00 0.00 C ATOM 2064 C THR A 139 7.806 2.424 1.739 1.00 0.00 C ATOM 2065 O THR A 139 8.277 1.964 0.694 1.00 0.00 O ATOM 2066 CB THR A 139 5.818 4.091 1.702 1.00 0.00 C ATOM 2067 OG1 THR A 139 5.119 3.454 2.752 1.00 0.00 O ATOM 2068 CG2 THR A 139 5.252 3.609 0.367 1.00 0.00 C ATOM 0 H THR A 139 8.144 4.245 -0.044 1.00 0.00 H new ATOM 0 HA THR A 139 7.593 4.174 2.860 1.00 0.00 H new ATOM 0 HB THR A 139 5.673 5.170 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 139 4.226 3.849 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 139 4.178 3.791 0.340 1.00 0.00 H new ATOM 0 HG22 THR A 139 5.732 4.150 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 139 5.442 2.541 0.255 1.00 0.00 H new ATOM 2076 N TRP A 140 7.714 1.682 2.833 1.00 0.00 N ATOM 2077 CA TRP A 140 7.911 0.238 2.890 1.00 0.00 C ATOM 2078 C TRP A 140 6.868 -0.295 3.868 1.00 0.00 C ATOM 2079 O TRP A 140 6.436 0.465 4.742 1.00 0.00 O ATOM 2080 CB TRP A 140 9.343 -0.090 3.336 1.00 0.00 C ATOM 2081 CG TRP A 140 9.713 0.349 4.723 1.00 0.00 C ATOM 2082 CD1 TRP A 140 10.091 1.592 5.102 1.00 0.00 C ATOM 2083 CD2 TRP A 140 9.722 -0.454 5.936 1.00 0.00 C ATOM 2084 NE1 TRP A 140 10.330 1.612 6.463 1.00 0.00 N ATOM 2085 CE2 TRP A 140 10.104 0.376 7.030 1.00 0.00 C ATOM 2086 CE3 TRP A 140 9.422 -1.802 6.219 1.00 0.00 C ATOM 2087 CZ2 TRP A 140 10.147 -0.102 8.347 1.00 0.00 C ATOM 2088 CZ3 TRP A 140 9.457 -2.291 7.534 1.00 0.00 C ATOM 2089 CH2 TRP A 140 9.799 -1.439 8.598 1.00 0.00 C ATOM 0 H TRP A 140 7.491 2.085 3.743 1.00 0.00 H new ATOM 0 HA TRP A 140 7.786 -0.230 1.913 1.00 0.00 H new ATOM 0 HB2 TRP A 140 9.487 -1.168 3.266 1.00 0.00 H new ATOM 0 HB3 TRP A 140 10.037 0.370 2.633 1.00 0.00 H new ATOM 0 HD1 TRP A 140 10.191 2.440 4.441 1.00 0.00 H new ATOM 0 HE1 TRP A 140 10.635 2.436 6.982 1.00 0.00 H new ATOM 0 HE3 TRP A 140 9.161 -2.469 5.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 10.443 0.548 9.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 9.220 -3.326 7.729 1.00 0.00 H new ATOM 0 HH2 TRP A 140 9.794 -1.813 9.611 1.00 0.00 H new ATOM 2100 N ILE A 141 6.501 -1.574 3.790 1.00 0.00 N ATOM 2101 CA ILE A 141 5.648 -2.224 4.790 1.00 0.00 C ATOM 2102 C ILE A 141 6.370 -3.478 5.250 1.00 0.00 C ATOM 2103 O ILE A 141 7.023 -4.129 4.431 1.00 0.00 O ATOM 2104 CB ILE A 141 4.248 -2.545 4.215 1.00 0.00 C ATOM 2105 CG1 ILE A 141 3.482 -1.279 3.777 1.00 0.00 C ATOM 2106 CG2 ILE A 141 3.350 -3.323 5.195 1.00 0.00 C ATOM 2107 CD1 ILE A 141 2.827 -1.454 2.410 1.00 0.00 C ATOM 0 H ILE A 141 6.787 -2.192 3.030 1.00 0.00 H new ATOM 0 HA ILE A 141 5.476 -1.559 5.636 1.00 0.00 H new ATOM 0 HB ILE A 141 4.457 -3.171 3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 141 2.718 -1.042 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 141 4.168 -0.433 3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 141 2.384 -3.515 4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 141 3.825 -4.271 5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 141 3.205 -2.735 6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 141 2.298 -0.540 2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 141 3.593 -1.664 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 141 2.121 -2.283 2.448 1.00 0.00 H new ATOM 2119 N ALA A 142 6.168 -3.860 6.512 1.00 0.00 N ATOM 2120 CA ALA A 142 6.723 -5.067 7.092 1.00 0.00 C ATOM 2121 C ALA A 142 5.715 -6.167 6.783 1.00 0.00 C ATOM 2122 O ALA A 142 4.584 -6.145 7.280 1.00 0.00 O ATOM 2123 CB ALA A 142 6.853 -4.904 8.615 1.00 0.00 C ATOM 0 H ALA A 142 5.601 -3.322 7.167 1.00 0.00 H new ATOM 0 HA ALA A 142 7.712 -5.290 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 142 7.271 -5.815 9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 142 7.511 -4.064 8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 142 5.869 -4.718 9.046 1.00 0.00 H new ATOM 2129 N GLY A 143 6.093 -7.088 5.902 1.00 0.00 N ATOM 2130 CA GLY A 143 5.252 -8.183 5.500 1.00 0.00 C ATOM 2131 C GLY A 143 5.364 -9.245 6.563 1.00 0.00 C ATOM 2132 O GLY A 143 6.141 -10.183 6.403 1.00 0.00 O ATOM 0 H GLY A 143 7.006 -7.084 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 143 4.218 -7.855 5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 143 5.565 -8.573 4.532 1.00 0.00 H new ATOM 2136 N VAL A 144 4.627 -9.058 7.650 1.00 0.00 N ATOM 2137 CA VAL A 144 4.359 -10.056 8.673 1.00 0.00 C ATOM 2138 C VAL A 144 2.862 -10.388 8.589 1.00 0.00 C ATOM 2139 O VAL A 144 2.189 -9.927 7.657 1.00 0.00 O ATOM 2140 CB VAL A 144 4.899 -9.593 10.038 1.00 0.00 C ATOM 2141 CG1 VAL A 144 6.436 -9.573 9.990 1.00 0.00 C ATOM 2142 CG2 VAL A 144 4.384 -8.216 10.471 1.00 0.00 C ATOM 0 H VAL A 144 4.179 -8.164 7.850 1.00 0.00 H new ATOM 0 HA VAL A 144 4.893 -10.993 8.517 1.00 0.00 H new ATOM 0 HB VAL A 144 4.535 -10.305 10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 144 6.826 -9.246 10.954 1.00 0.00 H new ATOM 0 HG12 VAL A 144 6.806 -10.574 9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 144 6.767 -8.885 9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 144 4.808 -7.958 11.442 1.00 0.00 H new ATOM 0 HG22 VAL A 144 4.681 -7.469 9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.297 -8.241 10.545 1.00 0.00 H new ATOM 2152 N GLY A 145 2.321 -11.230 9.470 1.00 0.00 N ATOM 2153 CA GLY A 145 0.952 -11.704 9.377 1.00 0.00 C ATOM 2154 C GLY A 145 0.823 -12.981 10.181 1.00 0.00 C ATOM 2155 O GLY A 145 1.482 -13.092 11.202 1.00 0.00 O ATOM 0 H GLY A 145 2.830 -11.601 10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 145 0.264 -10.948 9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 145 0.685 -11.885 8.336 1.00 0.00 H new ATOM 2159 N TYR A 146 0.028 -13.937 9.700 1.00 0.00 N ATOM 2160 CA TYR A 146 -0.214 -15.269 10.268 1.00 0.00 C ATOM 2161 C TYR A 146 -0.582 -16.216 9.104 1.00 0.00 C ATOM 2162 O TYR A 146 -0.723 -15.774 7.960 1.00 0.00 O ATOM 2163 CB TYR A 146 -1.344 -15.251 11.328 1.00 0.00 C ATOM 2164 CG TYR A 146 -1.197 -14.287 12.495 1.00 0.00 C ATOM 2165 CD1 TYR A 146 -1.631 -12.949 12.400 1.00 0.00 C ATOM 2166 CD2 TYR A 146 -0.646 -14.751 13.700 1.00 0.00 C ATOM 2167 CE1 TYR A 146 -1.468 -12.072 13.492 1.00 0.00 C ATOM 2168 CE2 TYR A 146 -0.476 -13.885 14.792 1.00 0.00 C ATOM 2169 CZ TYR A 146 -0.871 -12.535 14.688 1.00 0.00 C ATOM 2170 OH TYR A 146 -0.690 -11.684 15.740 1.00 0.00 O ATOM 0 H TYR A 146 -0.503 -13.793 8.841 1.00 0.00 H new ATOM 0 HA TYR A 146 0.686 -15.612 10.779 1.00 0.00 H new ATOM 0 HB2 TYR A 146 -2.280 -15.022 10.818 1.00 0.00 H new ATOM 0 HB3 TYR A 146 -1.441 -16.258 11.734 1.00 0.00 H new ATOM 0 HD1 TYR A 146 -2.089 -12.595 11.489 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.350 -15.786 13.788 1.00 0.00 H new ATOM 0 HE1 TYR A 146 -1.799 -11.047 13.415 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -0.043 -14.252 15.711 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.268 -12.166 16.482 1.00 0.00 H new ATOM 2180 N ARG A 147 -0.771 -17.516 9.353 1.00 0.00 N ATOM 2181 CA ARG A 147 -1.454 -18.403 8.399 1.00 0.00 C ATOM 2182 C ARG A 147 -2.377 -19.349 9.135 1.00 0.00 C ATOM 2183 O ARG A 147 -2.116 -19.676 10.297 1.00 0.00 O ATOM 2184 CB ARG A 147 -0.470 -19.191 7.516 1.00 0.00 C ATOM 2185 CG ARG A 147 0.470 -20.166 8.261 1.00 0.00 C ATOM 2186 CD ARG A 147 0.390 -21.618 7.773 1.00 0.00 C ATOM 2187 NE ARG A 147 -0.882 -22.289 8.104 1.00 0.00 N ATOM 2188 CZ ARG A 147 -1.159 -23.568 7.809 1.00 0.00 C ATOM 2189 NH1 ARG A 147 -0.260 -24.334 7.207 1.00 0.00 N ATOM 2190 NH2 ARG A 147 -2.326 -24.120 8.113 1.00 0.00 N ATOM 0 H ARG A 147 -0.461 -17.980 10.207 1.00 0.00 H new ATOM 0 HA ARG A 147 -2.040 -17.769 7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.043 -19.758 6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.141 -18.479 6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.496 -19.815 8.154 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.233 -20.139 9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.529 -21.636 6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.213 -22.184 8.210 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.596 -21.745 8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.654 -23.952 6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -0.482 -25.305 6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -3.043 -23.569 8.585 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -2.506 -25.095 7.875 1.00 0.00 H new ATOM 2204 N PHE A 148 -3.400 -19.835 8.442 1.00 0.00 N ATOM 2205 CA PHE A 148 -4.318 -20.830 8.950 1.00 0.00 C ATOM 2206 C PHE A 148 -4.810 -21.645 7.770 1.00 0.00 C ATOM 2207 O PHE A 148 -4.764 -22.889 7.844 1.00 0.00 O ATOM 2208 CB PHE A 148 -5.438 -20.176 9.773 1.00 0.00 C ATOM 2209 CG PHE A 148 -6.051 -18.890 9.240 1.00 0.00 C ATOM 2210 CD1 PHE A 148 -5.456 -17.639 9.506 1.00 0.00 C ATOM 2211 CD2 PHE A 148 -7.293 -18.931 8.587 1.00 0.00 C ATOM 2212 CE1 PHE A 148 -6.122 -16.454 9.150 1.00 0.00 C ATOM 2213 CE2 PHE A 148 -7.956 -17.748 8.224 1.00 0.00 C ATOM 2214 CZ PHE A 148 -7.369 -16.507 8.511 1.00 0.00 C ATOM 0 H PHE A 148 -3.613 -19.537 7.490 1.00 0.00 H new ATOM 0 HA PHE A 148 -3.826 -21.507 9.648 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.239 -20.906 9.888 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.046 -19.972 10.770 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.488 -17.592 9.983 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -7.745 -19.886 8.361 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -5.671 -15.498 9.370 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -8.913 -17.793 7.726 1.00 0.00 H new ATOM 0 HZ PHE A 148 -7.877 -15.593 8.240 1.00 0.00 H new TER 2224 PHE A 148