USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 866 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 17 THR OG1 : rot 30:sc= 0.0948 USER MOD Set 1.2: A 105 HIS : no HD1:sc= 0 X(o=0.095,f=0.0029) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.276 X(o=0.28,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -100:sc= -0.328 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.66! K(o=-3.7!,f=-1.7) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.932 X(o=-0.93,f=-0.56) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 50 TYR OH : rot 141:sc= -2.48! USER MOD Single : A 52 SER OG : rot 180:sc= -0.0084 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.171 K(o=-0.17,f=-1) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -1.8! (180deg=-2.95!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.565 USER MOD Single : A 76 ASN : amide:sc= -10.2! C(o=-10!,f=-9.9!) USER MOD Single : A 78 GLN : amide:sc= -9.05! C(o=-9!,f=-8.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0391 K(o=-0.039,f=-0.93) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.913 K(o=-0.91,f=-0.11) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -1.39 K(o=-1.4,f=-3.7!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= -0.867 K(o=-0.87,f=-3.9!) USER MOD Single : A 115 SER OG : rot -53:sc= 0.129 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.756 28.095 9.813 1.00 0.00 N ATOM 2 CA GLY A 1 -15.345 28.092 11.140 1.00 0.00 C ATOM 3 C GLY A 1 -16.242 26.893 11.374 1.00 0.00 C ATOM 4 O GLY A 1 -15.775 25.754 11.388 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.152 28.934 9.703 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.183 27.237 9.686 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.511 28.116 9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.551 28.099 11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.922 29.006 11.280 1.00 0.00 H new ATOM 8 N SER A 2 -17.533 27.148 11.559 1.00 0.00 N ATOM 9 CA SER A 2 -18.497 26.081 11.799 1.00 0.00 C ATOM 10 C SER A 2 -19.446 25.930 10.615 1.00 0.00 C ATOM 11 O SER A 2 -20.496 26.571 10.561 1.00 0.00 O ATOM 12 CB SER A 2 -19.294 26.362 13.074 1.00 0.00 C ATOM 13 OG SER A 2 -18.653 25.806 14.209 1.00 0.00 O ATOM 0 H SER A 2 -17.936 28.085 11.547 1.00 0.00 H new ATOM 0 HA SER A 2 -17.946 25.148 11.922 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.406 27.438 13.207 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.297 25.946 12.979 1.00 0.00 H new ATOM 0 HG SER A 2 -19.181 26.001 15.011 1.00 0.00 H new ATOM 19 N SER A 3 -19.070 25.077 9.667 1.00 0.00 N ATOM 20 CA SER A 3 -19.885 24.844 8.481 1.00 0.00 C ATOM 21 C SER A 3 -20.478 23.438 8.497 1.00 0.00 C ATOM 22 O SER A 3 -19.988 22.554 9.199 1.00 0.00 O ATOM 23 CB SER A 3 -19.049 25.043 7.215 1.00 0.00 C ATOM 24 OG SER A 3 -17.882 24.240 7.243 1.00 0.00 O ATOM 0 H SER A 3 -18.206 24.536 9.698 1.00 0.00 H new ATOM 0 HA SER A 3 -20.703 25.564 8.485 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.646 24.792 6.338 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.770 26.092 7.121 1.00 0.00 H new ATOM 0 HG SER A 3 -17.366 24.384 6.422 1.00 0.00 H new ATOM 30 N GLY A 4 -21.536 23.240 7.717 1.00 0.00 N ATOM 31 CA GLY A 4 -22.179 21.940 7.656 1.00 0.00 C ATOM 32 C GLY A 4 -21.730 21.127 6.459 1.00 0.00 C ATOM 33 O GLY A 4 -21.146 21.665 5.518 1.00 0.00 O ATOM 0 H GLY A 4 -21.959 23.956 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.961 21.387 8.570 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.260 22.074 7.615 1.00 0.00 H new ATOM 37 N SER A 5 -22.002 19.826 6.493 1.00 0.00 N ATOM 38 CA SER A 5 -21.616 18.936 5.405 1.00 0.00 C ATOM 39 C SER A 5 -22.723 18.847 4.358 1.00 0.00 C ATOM 40 O SER A 5 -23.894 18.670 4.690 1.00 0.00 O ATOM 41 CB SER A 5 -21.299 17.540 5.947 1.00 0.00 C ATOM 42 OG SER A 5 -22.459 16.924 6.478 1.00 0.00 O ATOM 0 H SER A 5 -22.488 19.365 7.262 1.00 0.00 H new ATOM 0 HA SER A 5 -20.723 19.346 4.932 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.888 16.921 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.535 17.612 6.721 1.00 0.00 H new ATOM 0 HG SER A 5 -22.231 16.033 6.816 1.00 0.00 H new ATOM 48 N SER A 6 -22.341 18.972 3.091 1.00 0.00 N ATOM 49 CA SER A 6 -23.300 18.911 1.994 1.00 0.00 C ATOM 50 C SER A 6 -23.760 17.476 1.754 1.00 0.00 C ATOM 51 O SER A 6 -24.939 17.158 1.899 1.00 0.00 O ATOM 52 CB SER A 6 -22.682 19.480 0.715 1.00 0.00 C ATOM 53 OG SER A 6 -22.886 20.880 0.630 1.00 0.00 O ATOM 0 H SER A 6 -21.374 19.116 2.799 1.00 0.00 H new ATOM 0 HA SER A 6 -24.167 19.512 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.614 19.263 0.695 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.122 18.992 -0.154 1.00 0.00 H new ATOM 0 HG SER A 6 -22.481 21.220 -0.195 1.00 0.00 H new ATOM 59 N GLY A 7 -22.818 16.613 1.386 1.00 0.00 N ATOM 60 CA GLY A 7 -23.144 15.222 1.132 1.00 0.00 C ATOM 61 C GLY A 7 -22.260 14.603 0.067 1.00 0.00 C ATOM 62 O GLY A 7 -21.630 13.571 0.297 1.00 0.00 O ATOM 0 H GLY A 7 -21.835 16.853 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.045 14.654 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.187 15.147 0.823 1.00 0.00 H new ATOM 66 N MET A 8 -22.213 15.235 -1.101 1.00 0.00 N ATOM 67 CA MET A 8 -21.399 14.740 -2.205 1.00 0.00 C ATOM 68 C MET A 8 -19.950 15.193 -2.058 1.00 0.00 C ATOM 69 O MET A 8 -19.328 15.636 -3.022 1.00 0.00 O ATOM 70 CB MET A 8 -21.964 15.225 -3.541 1.00 0.00 C ATOM 71 CG MET A 8 -23.389 14.764 -3.801 1.00 0.00 C ATOM 72 SD MET A 8 -24.278 15.856 -4.927 1.00 0.00 S ATOM 73 CE MET A 8 -25.007 17.014 -3.771 1.00 0.00 C ATOM 0 H MET A 8 -22.729 16.090 -1.307 1.00 0.00 H new ATOM 0 HA MET A 8 -21.425 13.651 -2.182 1.00 0.00 H new ATOM 0 HB2 MET A 8 -21.933 16.314 -3.565 1.00 0.00 H new ATOM 0 HB3 MET A 8 -21.323 14.870 -4.348 1.00 0.00 H new ATOM 0 HG2 MET A 8 -23.371 13.757 -4.217 1.00 0.00 H new ATOM 0 HG3 MET A 8 -23.927 14.708 -2.855 1.00 0.00 H new ATOM 0 HE1 MET A 8 -25.590 17.755 -4.317 1.00 0.00 H new ATOM 0 HE2 MET A 8 -25.657 16.478 -3.080 1.00 0.00 H new ATOM 0 HE3 MET A 8 -24.217 17.515 -3.211 1.00 0.00 H new ATOM 83 N ASN A 9 -19.419 15.080 -0.845 1.00 0.00 N ATOM 84 CA ASN A 9 -18.043 15.479 -0.572 1.00 0.00 C ATOM 85 C ASN A 9 -17.066 14.698 -1.447 1.00 0.00 C ATOM 86 O ASN A 9 -17.462 13.798 -2.186 1.00 0.00 O ATOM 87 CB ASN A 9 -17.709 15.260 0.905 1.00 0.00 C ATOM 88 CG ASN A 9 -18.109 16.441 1.769 1.00 0.00 C ATOM 89 OD1 ASN A 9 -19.277 16.595 2.127 1.00 0.00 O ATOM 90 ND2 ASN A 9 -17.138 17.282 2.107 1.00 0.00 N ATOM 0 H ASN A 9 -19.921 14.715 -0.035 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.946 16.539 -0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.218 14.364 1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.639 15.082 1.010 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.346 18.095 2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -16.184 17.115 1.787 1.00 0.00 H new ATOM 97 N GLY A 10 -15.787 15.050 -1.356 1.00 0.00 N ATOM 98 CA GLY A 10 -14.774 14.373 -2.143 1.00 0.00 C ATOM 99 C GLY A 10 -13.598 13.915 -1.304 1.00 0.00 C ATOM 100 O GLY A 10 -12.484 13.770 -1.809 1.00 0.00 O ATOM 0 H GLY A 10 -15.435 15.792 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.220 13.511 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.419 15.043 -2.926 1.00 0.00 H new ATOM 104 N ARG A 11 -13.843 13.687 -0.018 1.00 0.00 N ATOM 105 CA ARG A 11 -12.795 13.246 0.894 1.00 0.00 C ATOM 106 C ARG A 11 -12.004 12.088 0.293 1.00 0.00 C ATOM 107 O ARG A 11 -12.350 11.570 -0.769 1.00 0.00 O ATOM 108 CB ARG A 11 -13.400 12.824 2.234 1.00 0.00 C ATOM 109 CG ARG A 11 -14.188 11.526 2.165 1.00 0.00 C ATOM 110 CD ARG A 11 -15.651 11.779 1.839 1.00 0.00 C ATOM 111 NE ARG A 11 -16.297 12.623 2.840 1.00 0.00 N ATOM 112 CZ ARG A 11 -16.741 12.170 4.007 1.00 0.00 C ATOM 113 NH1 ARG A 11 -16.609 10.887 4.318 1.00 0.00 N ATOM 114 NH2 ARG A 11 -17.318 13.000 4.867 1.00 0.00 N ATOM 0 H ARG A 11 -14.759 13.801 0.416 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.115 14.082 1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.600 12.715 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.055 13.618 2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.753 10.875 1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.112 11.002 3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.727 12.254 0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -16.178 10.827 1.773 1.00 0.00 H new ATOM 0 HE ARG A 11 -16.414 13.615 2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -16.166 10.246 3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.951 10.542 5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.421 13.987 4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.658 12.651 5.763 1.00 0.00 H new ATOM 128 N VAL A 12 -10.939 11.685 0.980 1.00 0.00 N ATOM 129 CA VAL A 12 -10.099 10.588 0.515 1.00 0.00 C ATOM 130 C VAL A 12 -9.951 9.516 1.589 1.00 0.00 C ATOM 131 O VAL A 12 -8.964 9.492 2.324 1.00 0.00 O ATOM 132 CB VAL A 12 -8.700 11.087 0.106 1.00 0.00 C ATOM 133 CG1 VAL A 12 -8.788 11.970 -1.129 1.00 0.00 C ATOM 134 CG2 VAL A 12 -8.043 11.831 1.259 1.00 0.00 C ATOM 0 H VAL A 12 -10.638 12.102 1.861 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.592 10.159 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.082 10.223 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.790 12.313 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.215 11.400 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.422 12.831 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.056 12.177 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.657 12.687 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.945 11.163 2.114 1.00 0.00 H new ATOM 144 N ASP A 13 -10.938 8.632 1.674 1.00 0.00 N ATOM 145 CA ASP A 13 -10.918 7.555 2.657 1.00 0.00 C ATOM 146 C ASP A 13 -10.449 6.249 2.023 1.00 0.00 C ATOM 147 O ASP A 13 -10.822 5.163 2.467 1.00 0.00 O ATOM 148 CB ASP A 13 -12.306 7.369 3.271 1.00 0.00 C ATOM 149 CG ASP A 13 -12.245 6.855 4.696 1.00 0.00 C ATOM 150 OD1 ASP A 13 -11.489 5.895 4.948 1.00 0.00 O ATOM 151 OD2 ASP A 13 -12.955 7.413 5.559 1.00 0.00 O ATOM 0 H ASP A 13 -11.763 8.640 1.074 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.216 7.829 3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -12.838 8.320 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.880 6.672 2.661 1.00 0.00 H new ATOM 156 N TYR A 14 -9.631 6.362 0.983 1.00 0.00 N ATOM 157 CA TYR A 14 -9.114 5.191 0.286 1.00 0.00 C ATOM 158 C TYR A 14 -8.693 4.109 1.276 1.00 0.00 C ATOM 159 O TYR A 14 -7.870 4.347 2.161 1.00 0.00 O ATOM 160 CB TYR A 14 -7.928 5.579 -0.598 1.00 0.00 C ATOM 161 CG TYR A 14 -6.726 6.063 0.181 1.00 0.00 C ATOM 162 CD1 TYR A 14 -6.647 7.376 0.630 1.00 0.00 C ATOM 163 CD2 TYR A 14 -5.668 5.208 0.467 1.00 0.00 C ATOM 164 CE1 TYR A 14 -5.550 7.822 1.342 1.00 0.00 C ATOM 165 CE2 TYR A 14 -4.569 5.646 1.179 1.00 0.00 C ATOM 166 CZ TYR A 14 -4.514 6.954 1.614 1.00 0.00 C ATOM 167 OH TYR A 14 -3.419 7.394 2.322 1.00 0.00 O ATOM 0 H TYR A 14 -9.311 7.253 0.604 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.911 4.793 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.638 4.718 -1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.241 6.361 -1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.457 8.059 0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.706 4.184 0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.504 8.845 1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.756 4.968 1.394 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.781 6.658 2.428 1.00 0.00 H new ATOM 177 N LEU A 15 -9.263 2.919 1.119 1.00 0.00 N ATOM 178 CA LEU A 15 -8.947 1.798 1.998 1.00 0.00 C ATOM 179 C LEU A 15 -7.663 1.104 1.556 1.00 0.00 C ATOM 180 O LEU A 15 -7.533 0.692 0.403 1.00 0.00 O ATOM 181 CB LEU A 15 -10.102 0.796 2.014 1.00 0.00 C ATOM 182 CG LEU A 15 -10.286 0.005 3.310 1.00 0.00 C ATOM 183 CD1 LEU A 15 -9.138 -0.973 3.505 1.00 0.00 C ATOM 184 CD2 LEU A 15 -10.396 0.947 4.499 1.00 0.00 C ATOM 0 H LEU A 15 -9.946 2.706 0.392 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.799 2.189 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.027 1.334 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.954 0.089 1.198 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.213 -0.564 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.286 -1.527 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.107 -1.669 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.197 -0.425 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.527 0.366 5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.487 1.544 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.253 1.606 4.363 1.00 0.00 H new ATOM 196 N VAL A 16 -6.716 0.977 2.480 1.00 0.00 N ATOM 197 CA VAL A 16 -5.443 0.330 2.186 1.00 0.00 C ATOM 198 C VAL A 16 -5.433 -1.112 2.680 1.00 0.00 C ATOM 199 O VAL A 16 -5.849 -1.399 3.803 1.00 0.00 O ATOM 200 CB VAL A 16 -4.266 1.089 2.828 1.00 0.00 C ATOM 201 CG1 VAL A 16 -4.139 2.482 2.230 1.00 0.00 C ATOM 202 CG2 VAL A 16 -4.440 1.162 4.338 1.00 0.00 C ATOM 0 H VAL A 16 -6.806 1.314 3.439 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.325 0.341 1.102 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.346 0.544 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.302 3.003 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.965 2.403 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.058 3.040 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.600 1.701 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.368 1.684 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.477 0.153 4.749 1.00 0.00 H new ATOM 212 N THR A 17 -4.955 -2.019 1.833 1.00 0.00 N ATOM 213 CA THR A 17 -4.891 -3.432 2.183 1.00 0.00 C ATOM 214 C THR A 17 -3.470 -3.967 2.051 1.00 0.00 C ATOM 215 O THR A 17 -2.848 -3.849 0.996 1.00 0.00 O ATOM 216 CB THR A 17 -5.828 -4.273 1.295 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.464 -4.123 -0.082 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.277 -3.855 1.490 1.00 0.00 C ATOM 0 H THR A 17 -4.607 -1.799 0.900 1.00 0.00 H new ATOM 0 HA THR A 17 -5.213 -3.516 3.221 1.00 0.00 H new ATOM 0 HB THR A 17 -5.726 -5.319 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.501 -3.954 -0.149 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.920 -4.462 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.560 -3.998 2.533 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.391 -2.804 1.224 1.00 0.00 H new ATOM 226 N GLU A 18 -2.962 -4.557 3.129 1.00 0.00 N ATOM 227 CA GLU A 18 -1.613 -5.110 3.133 1.00 0.00 C ATOM 228 C GLU A 18 -1.629 -6.587 2.750 1.00 0.00 C ATOM 229 O GLU A 18 -2.283 -7.400 3.402 1.00 0.00 O ATOM 230 CB GLU A 18 -0.970 -4.937 4.511 1.00 0.00 C ATOM 231 CG GLU A 18 -0.409 -3.545 4.749 1.00 0.00 C ATOM 232 CD GLU A 18 -0.429 -3.151 6.213 1.00 0.00 C ATOM 233 OE1 GLU A 18 -0.094 -4.005 7.061 1.00 0.00 O ATOM 234 OE2 GLU A 18 -0.780 -1.990 6.511 1.00 0.00 O ATOM 0 H GLU A 18 -3.464 -4.664 4.010 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.024 -4.567 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.711 -5.157 5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.168 -5.667 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.615 -3.502 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.986 -2.821 4.174 1.00 0.00 H new ATOM 241 N GLU A 19 -0.906 -6.925 1.687 1.00 0.00 N ATOM 242 CA GLU A 19 -0.839 -8.304 1.217 1.00 0.00 C ATOM 243 C GLU A 19 0.598 -8.695 0.881 1.00 0.00 C ATOM 244 O GLU A 19 1.386 -7.867 0.426 1.00 0.00 O ATOM 245 CB GLU A 19 -1.730 -8.490 -0.013 1.00 0.00 C ATOM 246 CG GLU A 19 -1.721 -9.907 -0.562 1.00 0.00 C ATOM 247 CD GLU A 19 -2.716 -10.811 0.140 1.00 0.00 C ATOM 248 OE1 GLU A 19 -2.776 -10.771 1.387 1.00 0.00 O ATOM 249 OE2 GLU A 19 -3.435 -11.557 -0.557 1.00 0.00 O ATOM 0 H GLU A 19 -0.359 -6.264 1.136 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.196 -8.952 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.753 -8.216 0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.404 -7.804 -0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.948 -9.881 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.720 -10.326 -0.460 1.00 0.00 H new ATOM 256 N GLU A 20 0.929 -9.962 1.110 1.00 0.00 N ATOM 257 CA GLU A 20 2.270 -10.462 0.833 1.00 0.00 C ATOM 258 C GLU A 20 2.306 -11.221 -0.490 1.00 0.00 C ATOM 259 O GLU A 20 1.652 -12.254 -0.643 1.00 0.00 O ATOM 260 CB GLU A 20 2.744 -11.372 1.969 1.00 0.00 C ATOM 261 CG GLU A 20 4.245 -11.603 1.978 1.00 0.00 C ATOM 262 CD GLU A 20 4.654 -12.750 2.882 1.00 0.00 C ATOM 263 OE1 GLU A 20 4.150 -13.875 2.679 1.00 0.00 O ATOM 264 OE2 GLU A 20 5.477 -12.522 3.793 1.00 0.00 O ATOM 0 H GLU A 20 0.287 -10.660 1.486 1.00 0.00 H new ATOM 0 HA GLU A 20 2.941 -9.606 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.447 -10.934 2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.237 -12.334 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.583 -11.808 0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.747 -10.692 2.304 1.00 0.00 H new ATOM 271 N ILE A 21 3.072 -10.702 -1.443 1.00 0.00 N ATOM 272 CA ILE A 21 3.193 -11.331 -2.752 1.00 0.00 C ATOM 273 C ILE A 21 4.423 -12.231 -2.819 1.00 0.00 C ATOM 274 O ILE A 21 5.551 -11.751 -2.918 1.00 0.00 O ATOM 275 CB ILE A 21 3.279 -10.280 -3.875 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.082 -9.330 -3.808 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.346 -10.961 -5.234 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.746 -10.036 -3.881 1.00 0.00 C ATOM 0 H ILE A 21 3.618 -9.848 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 21 2.296 -11.934 -2.896 1.00 0.00 H new ATOM 0 HB ILE A 21 4.189 -9.697 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.132 -8.760 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.151 -8.614 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.406 -10.205 -6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.228 -11.600 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.452 -11.566 -5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.057 -9.301 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.675 -10.584 -4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.656 -10.732 -3.047 1.00 0.00 H new ATOM 290 N ASN A 22 4.195 -13.539 -2.764 1.00 0.00 N ATOM 291 CA ASN A 22 5.284 -14.508 -2.819 1.00 0.00 C ATOM 292 C ASN A 22 5.704 -14.772 -4.262 1.00 0.00 C ATOM 293 O ASN A 22 5.010 -15.467 -5.005 1.00 0.00 O ATOM 294 CB ASN A 22 4.863 -15.818 -2.151 1.00 0.00 C ATOM 295 CG ASN A 22 5.002 -15.767 -0.641 1.00 0.00 C ATOM 296 OD1 ASN A 22 5.667 -16.611 -0.040 1.00 0.00 O ATOM 297 ND2 ASN A 22 4.373 -14.775 -0.022 1.00 0.00 N ATOM 0 H ASN A 22 3.266 -13.953 -2.681 1.00 0.00 H new ATOM 0 HA ASN A 22 6.136 -14.091 -2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.828 -16.039 -2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.471 -16.634 -2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.430 -14.690 0.993 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.833 -14.098 -0.561 1.00 0.00 H new ATOM 304 N LEU A 23 6.845 -14.214 -4.651 1.00 0.00 N ATOM 305 CA LEU A 23 7.360 -14.390 -6.005 1.00 0.00 C ATOM 306 C LEU A 23 8.695 -15.127 -5.989 1.00 0.00 C ATOM 307 O LEU A 23 9.540 -14.884 -5.127 1.00 0.00 O ATOM 308 CB LEU A 23 7.522 -13.032 -6.690 1.00 0.00 C ATOM 309 CG LEU A 23 6.235 -12.372 -7.187 1.00 0.00 C ATOM 310 CD1 LEU A 23 6.491 -10.921 -7.566 1.00 0.00 C ATOM 311 CD2 LEU A 23 5.663 -13.141 -8.368 1.00 0.00 C ATOM 0 H LEU A 23 7.431 -13.636 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 23 6.642 -14.990 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.009 -12.351 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.195 -13.154 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 23 5.504 -12.391 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.564 -10.468 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.854 -10.376 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.239 -10.878 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.748 -12.657 -8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.390 -13.154 -9.180 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.441 -14.164 -8.063 1.00 0.00 H new ATOM 323 N THR A 24 8.879 -16.028 -6.949 1.00 0.00 N ATOM 324 CA THR A 24 10.112 -16.800 -7.046 1.00 0.00 C ATOM 325 C THR A 24 11.094 -16.149 -8.013 1.00 0.00 C ATOM 326 O THR A 24 10.698 -15.618 -9.051 1.00 0.00 O ATOM 327 CB THR A 24 9.835 -18.243 -7.507 1.00 0.00 C ATOM 328 OG1 THR A 24 8.947 -18.890 -6.589 1.00 0.00 O ATOM 329 CG2 THR A 24 11.130 -19.035 -7.612 1.00 0.00 C ATOM 0 H THR A 24 8.190 -16.241 -7.670 1.00 0.00 H new ATOM 0 HA THR A 24 10.551 -16.823 -6.048 1.00 0.00 H new ATOM 0 HB THR A 24 9.371 -18.203 -8.492 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.775 -19.806 -6.891 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.910 -20.051 -7.939 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.791 -18.557 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.618 -19.065 -6.638 1.00 0.00 H new ATOM 337 N ARG A 25 12.376 -16.192 -7.665 1.00 0.00 N ATOM 338 CA ARG A 25 13.415 -15.606 -8.503 1.00 0.00 C ATOM 339 C ARG A 25 13.453 -16.277 -9.873 1.00 0.00 C ATOM 340 O ARG A 25 13.724 -17.472 -9.982 1.00 0.00 O ATOM 341 CB ARG A 25 14.780 -15.732 -7.823 1.00 0.00 C ATOM 342 CG ARG A 25 15.939 -15.282 -8.697 1.00 0.00 C ATOM 343 CD ARG A 25 17.261 -15.848 -8.203 1.00 0.00 C ATOM 344 NE ARG A 25 18.303 -15.774 -9.224 1.00 0.00 N ATOM 345 CZ ARG A 25 19.379 -16.553 -9.233 1.00 0.00 C ATOM 346 NH1 ARG A 25 19.553 -17.460 -8.282 1.00 0.00 N ATOM 347 NH2 ARG A 25 20.284 -16.425 -10.196 1.00 0.00 N ATOM 0 H ARG A 25 12.720 -16.626 -6.809 1.00 0.00 H new ATOM 0 HA ARG A 25 13.182 -14.550 -8.642 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.776 -15.141 -6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.937 -16.771 -7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.767 -15.601 -9.725 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.988 -14.193 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.582 -15.300 -7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.121 -16.886 -7.902 1.00 0.00 H new ATOM 0 HE ARG A 25 18.199 -15.087 -9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.860 -17.561 -7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.380 -18.057 -8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 25 20.153 -15.728 -10.929 1.00 0.00 H new ATOM 0 HH22 ARG A 25 21.110 -17.023 -10.202 1.00 0.00 H new ATOM 361 N GLY A 26 13.178 -15.499 -10.916 1.00 0.00 N ATOM 362 CA GLY A 26 13.185 -16.036 -12.264 1.00 0.00 C ATOM 363 C GLY A 26 14.587 -16.189 -12.819 1.00 0.00 C ATOM 364 O GLY A 26 15.537 -16.480 -12.093 1.00 0.00 O ATOM 0 H GLY A 26 12.951 -14.507 -10.851 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.688 -17.006 -12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.609 -15.380 -12.916 1.00 0.00 H new ATOM 368 N PRO A 27 14.729 -15.994 -14.139 1.00 0.00 N ATOM 369 CA PRO A 27 16.022 -16.108 -14.821 1.00 0.00 C ATOM 370 C PRO A 27 16.975 -14.976 -14.450 1.00 0.00 C ATOM 371 O PRO A 27 18.171 -15.196 -14.259 1.00 0.00 O ATOM 372 CB PRO A 27 15.649 -16.029 -16.303 1.00 0.00 C ATOM 373 CG PRO A 27 14.364 -15.276 -16.331 1.00 0.00 C ATOM 374 CD PRO A 27 13.640 -15.645 -15.066 1.00 0.00 C ATOM 0 HA PRO A 27 16.548 -17.023 -14.548 1.00 0.00 H new ATOM 0 HB2 PRO A 27 16.420 -15.517 -16.879 1.00 0.00 H new ATOM 0 HB3 PRO A 27 15.535 -17.023 -16.736 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.542 -14.202 -16.379 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.775 -15.541 -17.209 1.00 0.00 H new ATOM 0 HD2 PRO A 27 13.042 -14.816 -14.689 1.00 0.00 H new ATOM 0 HD3 PRO A 27 12.961 -16.483 -15.222 1.00 0.00 H new ATOM 382 N SER A 28 16.437 -13.765 -14.351 1.00 0.00 N ATOM 383 CA SER A 28 17.240 -12.598 -14.006 1.00 0.00 C ATOM 384 C SER A 28 16.553 -11.764 -12.929 1.00 0.00 C ATOM 385 O SER A 28 15.753 -10.879 -13.230 1.00 0.00 O ATOM 386 CB SER A 28 17.492 -11.741 -15.249 1.00 0.00 C ATOM 387 OG SER A 28 18.139 -12.490 -16.263 1.00 0.00 O ATOM 0 H SER A 28 15.448 -13.566 -14.505 1.00 0.00 H new ATOM 0 HA SER A 28 18.195 -12.948 -13.615 1.00 0.00 H new ATOM 0 HB2 SER A 28 16.545 -11.355 -15.626 1.00 0.00 H new ATOM 0 HB3 SER A 28 18.104 -10.879 -14.982 1.00 0.00 H new ATOM 0 HG SER A 28 18.287 -11.920 -17.046 1.00 0.00 H new ATOM 393 N GLY A 29 16.873 -12.053 -11.672 1.00 0.00 N ATOM 394 CA GLY A 29 16.279 -11.321 -10.568 1.00 0.00 C ATOM 395 C GLY A 29 14.776 -11.503 -10.495 1.00 0.00 C ATOM 396 O GLY A 29 14.288 -12.467 -9.902 1.00 0.00 O ATOM 0 H GLY A 29 17.533 -12.781 -11.398 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.728 -11.653 -9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.509 -10.261 -10.673 1.00 0.00 H new ATOM 400 N LEU A 30 14.039 -10.576 -11.097 1.00 0.00 N ATOM 401 CA LEU A 30 12.582 -10.637 -11.096 1.00 0.00 C ATOM 402 C LEU A 30 12.020 -10.251 -12.460 1.00 0.00 C ATOM 403 O LEU A 30 12.709 -9.640 -13.276 1.00 0.00 O ATOM 404 CB LEU A 30 12.013 -9.714 -10.017 1.00 0.00 C ATOM 405 CG LEU A 30 12.335 -10.093 -8.571 1.00 0.00 C ATOM 406 CD1 LEU A 30 12.189 -8.886 -7.658 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.437 -11.229 -8.105 1.00 0.00 C ATOM 0 H LEU A 30 14.427 -9.773 -11.592 1.00 0.00 H new ATOM 0 HA LEU A 30 12.287 -11.664 -10.879 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.383 -8.705 -10.198 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.929 -9.681 -10.130 1.00 0.00 H new ATOM 0 HG LEU A 30 13.370 -10.433 -8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.422 -9.175 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.875 -8.102 -7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.165 -8.515 -7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.680 -11.486 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.394 -10.917 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.592 -12.100 -8.742 1.00 0.00 H new ATOM 419 N GLY A 31 10.762 -10.610 -12.700 1.00 0.00 N ATOM 420 CA GLY A 31 10.128 -10.290 -13.966 1.00 0.00 C ATOM 421 C GLY A 31 9.376 -8.975 -13.922 1.00 0.00 C ATOM 422 O GLY A 31 8.258 -8.873 -14.428 1.00 0.00 O ATOM 0 H GLY A 31 10.171 -11.116 -12.041 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.887 -10.245 -14.747 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.439 -11.090 -14.236 1.00 0.00 H new ATOM 426 N PHE A 32 9.988 -7.965 -13.314 1.00 0.00 N ATOM 427 CA PHE A 32 9.368 -6.649 -13.203 1.00 0.00 C ATOM 428 C PHE A 32 10.366 -5.619 -12.682 1.00 0.00 C ATOM 429 O PHE A 32 11.293 -5.954 -11.946 1.00 0.00 O ATOM 430 CB PHE A 32 8.153 -6.712 -12.275 1.00 0.00 C ATOM 431 CG PHE A 32 8.509 -6.949 -10.835 1.00 0.00 C ATOM 432 CD1 PHE A 32 8.774 -8.229 -10.374 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.580 -5.892 -9.942 1.00 0.00 C ATOM 434 CE1 PHE A 32 9.102 -8.450 -9.050 1.00 0.00 C ATOM 435 CE2 PHE A 32 8.908 -6.107 -8.617 1.00 0.00 C ATOM 436 CZ PHE A 32 9.169 -7.388 -8.170 1.00 0.00 C ATOM 0 H PHE A 32 10.913 -8.032 -12.890 1.00 0.00 H new ATOM 0 HA PHE A 32 9.043 -6.343 -14.197 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.597 -5.778 -12.354 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.489 -7.508 -12.612 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.724 -9.064 -11.058 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.377 -4.888 -10.285 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.306 -9.452 -8.704 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.960 -5.274 -7.931 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.425 -7.558 -7.135 1.00 0.00 H new ATOM 446 N ASN A 33 10.170 -4.364 -13.073 1.00 0.00 N ATOM 447 CA ASN A 33 11.053 -3.284 -12.648 1.00 0.00 C ATOM 448 C ASN A 33 10.437 -2.499 -11.494 1.00 0.00 C ATOM 449 O ASN A 33 9.224 -2.292 -11.450 1.00 0.00 O ATOM 450 CB ASN A 33 11.346 -2.345 -13.820 1.00 0.00 C ATOM 451 CG ASN A 33 12.496 -2.834 -14.679 1.00 0.00 C ATOM 452 OD1 ASN A 33 12.328 -3.724 -15.513 1.00 0.00 O ATOM 453 ND2 ASN A 33 13.672 -2.252 -14.479 1.00 0.00 N ATOM 0 H ASN A 33 9.408 -4.070 -13.683 1.00 0.00 H new ATOM 0 HA ASN A 33 11.988 -3.727 -12.304 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.452 -2.247 -14.436 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.579 -1.352 -13.437 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.483 -2.539 -15.028 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.765 -1.518 -13.777 1.00 0.00 H new ATOM 460 N ILE A 34 11.280 -2.065 -10.564 1.00 0.00 N ATOM 461 CA ILE A 34 10.818 -1.301 -9.412 1.00 0.00 C ATOM 462 C ILE A 34 11.429 0.096 -9.397 1.00 0.00 C ATOM 463 O ILE A 34 12.462 0.340 -10.020 1.00 0.00 O ATOM 464 CB ILE A 34 11.162 -2.013 -8.090 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.670 -2.251 -7.991 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.405 -3.329 -7.985 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.190 -2.245 -6.570 1.00 0.00 C ATOM 0 H ILE A 34 12.286 -2.229 -10.585 1.00 0.00 H new ATOM 0 HA ILE A 34 9.735 -1.220 -9.501 1.00 0.00 H new ATOM 0 HB ILE A 34 10.859 -1.374 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.910 -3.209 -8.453 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.189 -1.482 -8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.658 -3.821 -7.046 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.333 -3.135 -8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.681 -3.975 -8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.266 -2.420 -6.576 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.982 -1.279 -6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.698 -3.032 -5.999 1.00 0.00 H new ATOM 479 N VAL A 35 10.783 1.011 -8.681 1.00 0.00 N ATOM 480 CA VAL A 35 11.264 2.384 -8.582 1.00 0.00 C ATOM 481 C VAL A 35 11.259 2.865 -7.135 1.00 0.00 C ATOM 482 O VAL A 35 10.214 2.908 -6.488 1.00 0.00 O ATOM 483 CB VAL A 35 10.407 3.341 -9.432 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.416 2.911 -10.892 1.00 0.00 C ATOM 485 CG2 VAL A 35 8.986 3.404 -8.895 1.00 0.00 C ATOM 0 H VAL A 35 9.925 0.826 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 35 12.286 2.390 -8.960 1.00 0.00 H new ATOM 0 HB VAL A 35 10.838 4.340 -9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.805 3.598 -11.478 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.439 2.923 -11.269 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.010 1.903 -10.977 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.395 4.085 -9.508 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.541 2.409 -8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.002 3.763 -7.866 1.00 0.00 H new ATOM 495 N GLY A 36 12.436 3.227 -6.634 1.00 0.00 N ATOM 496 CA GLY A 36 12.546 3.701 -5.267 1.00 0.00 C ATOM 497 C GLY A 36 13.926 4.243 -4.950 1.00 0.00 C ATOM 498 O GLY A 36 14.816 4.228 -5.799 1.00 0.00 O ATOM 0 H GLY A 36 13.315 3.200 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.804 4.481 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.314 2.885 -4.583 1.00 0.00 H new ATOM 502 N GLY A 37 14.103 4.726 -3.724 1.00 0.00 N ATOM 503 CA GLY A 37 15.386 5.271 -3.320 1.00 0.00 C ATOM 504 C GLY A 37 15.329 6.765 -3.072 1.00 0.00 C ATOM 505 O GLY A 37 14.862 7.526 -3.920 1.00 0.00 O ATOM 0 H GLY A 37 13.381 4.750 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.722 4.768 -2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.126 5.062 -4.093 1.00 0.00 H new ATOM 509 N THR A 38 15.805 7.188 -1.905 1.00 0.00 N ATOM 510 CA THR A 38 15.803 8.601 -1.546 1.00 0.00 C ATOM 511 C THR A 38 16.190 9.471 -2.736 1.00 0.00 C ATOM 512 O THR A 38 15.750 10.616 -2.849 1.00 0.00 O ATOM 513 CB THR A 38 16.771 8.885 -0.381 1.00 0.00 C ATOM 514 OG1 THR A 38 18.066 8.352 -0.678 1.00 0.00 O ATOM 515 CG2 THR A 38 16.252 8.278 0.914 1.00 0.00 C ATOM 0 H THR A 38 16.197 6.572 -1.192 1.00 0.00 H new ATOM 0 HA THR A 38 14.788 8.847 -1.234 1.00 0.00 H new ATOM 0 HB THR A 38 16.844 9.965 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.181 7.496 -0.215 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.952 8.491 1.722 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.279 8.708 1.153 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.152 7.199 0.796 1.00 0.00 H new ATOM 523 N ASP A 39 17.013 8.922 -3.622 1.00 0.00 N ATOM 524 CA ASP A 39 17.457 9.648 -4.806 1.00 0.00 C ATOM 525 C ASP A 39 16.513 9.405 -5.979 1.00 0.00 C ATOM 526 O ASP A 39 16.261 10.303 -6.781 1.00 0.00 O ATOM 527 CB ASP A 39 18.879 9.229 -5.184 1.00 0.00 C ATOM 528 CG ASP A 39 19.552 10.229 -6.104 1.00 0.00 C ATOM 529 OD1 ASP A 39 19.779 11.376 -5.667 1.00 0.00 O ATOM 530 OD2 ASP A 39 19.851 9.864 -7.260 1.00 0.00 O ATOM 0 H ASP A 39 17.386 7.976 -3.543 1.00 0.00 H new ATOM 0 HA ASP A 39 17.450 10.713 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.474 9.115 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.850 8.254 -5.671 1.00 0.00 H new ATOM 535 N GLN A 40 15.994 8.185 -6.071 1.00 0.00 N ATOM 536 CA GLN A 40 15.078 7.824 -7.147 1.00 0.00 C ATOM 537 C GLN A 40 13.739 7.355 -6.588 1.00 0.00 C ATOM 538 O GLN A 40 13.193 6.343 -7.028 1.00 0.00 O ATOM 539 CB GLN A 40 15.692 6.728 -8.021 1.00 0.00 C ATOM 540 CG GLN A 40 17.140 6.992 -8.401 1.00 0.00 C ATOM 541 CD GLN A 40 17.270 7.769 -9.696 1.00 0.00 C ATOM 542 OE1 GLN A 40 17.340 8.998 -9.692 1.00 0.00 O ATOM 543 NE2 GLN A 40 17.305 7.054 -10.815 1.00 0.00 N ATOM 0 H GLN A 40 16.192 7.430 -5.414 1.00 0.00 H new ATOM 0 HA GLN A 40 14.905 8.711 -7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.632 5.777 -7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.099 6.625 -8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.627 7.546 -7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.666 6.042 -8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.244 6.037 -10.772 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.393 7.522 -11.717 1.00 0.00 H new ATOM 552 N GLN A 41 13.217 8.096 -5.617 1.00 0.00 N ATOM 553 CA GLN A 41 11.942 7.755 -4.997 1.00 0.00 C ATOM 554 C GLN A 41 10.775 8.273 -5.832 1.00 0.00 C ATOM 555 O GLN A 41 10.626 9.479 -6.029 1.00 0.00 O ATOM 556 CB GLN A 41 11.867 8.331 -3.583 1.00 0.00 C ATOM 557 CG GLN A 41 12.242 9.802 -3.504 1.00 0.00 C ATOM 558 CD GLN A 41 12.071 10.375 -2.111 1.00 0.00 C ATOM 559 OE1 GLN A 41 12.908 11.143 -1.636 1.00 0.00 O ATOM 560 NE2 GLN A 41 10.983 10.003 -1.448 1.00 0.00 N ATOM 0 H GLN A 41 13.657 8.936 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 41 11.873 6.669 -4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.855 8.202 -3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.529 7.760 -2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.278 9.926 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.626 10.368 -4.203 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.316 9.364 -1.881 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.814 10.356 -0.506 1.00 0.00 H new ATOM 569 N TYR A 42 9.950 7.353 -6.321 1.00 0.00 N ATOM 570 CA TYR A 42 8.798 7.717 -7.137 1.00 0.00 C ATOM 571 C TYR A 42 8.208 9.049 -6.685 1.00 0.00 C ATOM 572 O TYR A 42 7.813 9.878 -7.505 1.00 0.00 O ATOM 573 CB TYR A 42 7.731 6.624 -7.066 1.00 0.00 C ATOM 574 CG TYR A 42 6.805 6.602 -8.262 1.00 0.00 C ATOM 575 CD1 TYR A 42 7.239 6.126 -9.493 1.00 0.00 C ATOM 576 CD2 TYR A 42 5.496 7.057 -8.160 1.00 0.00 C ATOM 577 CE1 TYR A 42 6.398 6.105 -10.588 1.00 0.00 C ATOM 578 CE2 TYR A 42 4.647 7.038 -9.250 1.00 0.00 C ATOM 579 CZ TYR A 42 5.102 6.562 -10.461 1.00 0.00 C ATOM 580 OH TYR A 42 4.260 6.541 -11.549 1.00 0.00 O ATOM 0 H TYR A 42 10.058 6.351 -6.166 1.00 0.00 H new ATOM 0 HA TYR A 42 9.135 7.821 -8.169 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.221 5.654 -6.979 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.139 6.764 -6.161 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.252 5.766 -9.595 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.136 7.432 -7.213 1.00 0.00 H new ATOM 0 HE1 TYR A 42 6.752 5.733 -11.538 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.632 7.394 -9.154 1.00 0.00 H new ATOM 0 HH TYR A 42 3.383 6.895 -11.291 1.00 0.00 H new ATOM 590 N VAL A 43 8.153 9.249 -5.372 1.00 0.00 N ATOM 591 CA VAL A 43 7.614 10.481 -4.808 1.00 0.00 C ATOM 592 C VAL A 43 8.549 11.056 -3.750 1.00 0.00 C ATOM 593 O VAL A 43 9.013 10.341 -2.862 1.00 0.00 O ATOM 594 CB VAL A 43 6.226 10.250 -4.180 1.00 0.00 C ATOM 595 CG1 VAL A 43 5.519 11.576 -3.945 1.00 0.00 C ATOM 596 CG2 VAL A 43 5.387 9.339 -5.063 1.00 0.00 C ATOM 0 H VAL A 43 8.475 8.574 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 43 7.520 11.191 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 43 6.360 9.761 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.540 11.393 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.114 12.191 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.395 12.096 -4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.410 9.187 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.260 9.799 -6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.889 8.378 -5.175 1.00 0.00 H new ATOM 606 N SER A 44 8.821 12.353 -3.851 1.00 0.00 N ATOM 607 CA SER A 44 9.704 13.025 -2.905 1.00 0.00 C ATOM 608 C SER A 44 9.159 12.919 -1.484 1.00 0.00 C ATOM 609 O SER A 44 9.885 13.122 -0.512 1.00 0.00 O ATOM 610 CB SER A 44 9.873 14.496 -3.289 1.00 0.00 C ATOM 611 OG SER A 44 11.127 14.995 -2.857 1.00 0.00 O ATOM 0 H SER A 44 8.443 12.960 -4.579 1.00 0.00 H new ATOM 0 HA SER A 44 10.676 12.533 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.788 14.605 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.071 15.086 -2.845 1.00 0.00 H new ATOM 0 HG SER A 44 11.211 15.936 -3.116 1.00 0.00 H new ATOM 617 N ASN A 45 7.873 12.599 -1.372 1.00 0.00 N ATOM 618 CA ASN A 45 7.229 12.466 -0.070 1.00 0.00 C ATOM 619 C ASN A 45 7.143 11.000 0.347 1.00 0.00 C ATOM 620 O ASN A 45 6.597 10.676 1.401 1.00 0.00 O ATOM 621 CB ASN A 45 5.829 13.080 -0.106 1.00 0.00 C ATOM 622 CG ASN A 45 5.123 12.989 1.233 1.00 0.00 C ATOM 623 OD1 ASN A 45 3.951 12.619 1.306 1.00 0.00 O ATOM 624 ND2 ASN A 45 5.835 13.327 2.302 1.00 0.00 N ATOM 0 H ASN A 45 7.257 12.427 -2.167 1.00 0.00 H new ATOM 0 HA ASN A 45 7.834 12.999 0.663 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.901 14.126 -0.405 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.232 12.572 -0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.413 13.285 3.230 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.804 13.628 2.195 1.00 0.00 H new ATOM 631 N ASP A 46 7.687 10.121 -0.487 1.00 0.00 N ATOM 632 CA ASP A 46 7.674 8.690 -0.205 1.00 0.00 C ATOM 633 C ASP A 46 8.926 8.016 -0.756 1.00 0.00 C ATOM 634 O ASP A 46 9.083 7.871 -1.968 1.00 0.00 O ATOM 635 CB ASP A 46 6.425 8.042 -0.805 1.00 0.00 C ATOM 636 CG ASP A 46 5.998 6.799 -0.049 1.00 0.00 C ATOM 637 OD1 ASP A 46 6.885 6.033 0.383 1.00 0.00 O ATOM 638 OD2 ASP A 46 4.777 6.592 0.110 1.00 0.00 O ATOM 0 H ASP A 46 8.143 10.374 -1.364 1.00 0.00 H new ATOM 0 HA ASP A 46 7.659 8.558 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.608 8.764 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.618 7.782 -1.846 1.00 0.00 H new ATOM 643 N SER A 47 9.816 7.607 0.143 1.00 0.00 N ATOM 644 CA SER A 47 11.057 6.953 -0.253 1.00 0.00 C ATOM 645 C SER A 47 10.906 5.435 -0.220 1.00 0.00 C ATOM 646 O SER A 47 11.810 4.718 0.207 1.00 0.00 O ATOM 647 CB SER A 47 12.201 7.382 0.667 1.00 0.00 C ATOM 648 OG SER A 47 12.063 6.808 1.955 1.00 0.00 O ATOM 0 H SER A 47 9.700 7.717 1.150 1.00 0.00 H new ATOM 0 HA SER A 47 11.288 7.256 -1.274 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.154 7.081 0.232 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.217 8.469 0.750 1.00 0.00 H new ATOM 0 HG SER A 47 12.808 7.096 2.523 1.00 0.00 H new ATOM 654 N GLY A 48 9.754 4.951 -0.675 1.00 0.00 N ATOM 655 CA GLY A 48 9.503 3.522 -0.690 1.00 0.00 C ATOM 656 C GLY A 48 9.739 2.905 -2.054 1.00 0.00 C ATOM 657 O GLY A 48 10.099 3.602 -3.004 1.00 0.00 O ATOM 0 H GLY A 48 8.990 5.524 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.148 3.035 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.474 3.334 -0.383 1.00 0.00 H new ATOM 661 N ILE A 49 9.539 1.595 -2.153 1.00 0.00 N ATOM 662 CA ILE A 49 9.733 0.886 -3.411 1.00 0.00 C ATOM 663 C ILE A 49 8.397 0.570 -4.075 1.00 0.00 C ATOM 664 O ILE A 49 7.449 0.142 -3.416 1.00 0.00 O ATOM 665 CB ILE A 49 10.513 -0.425 -3.203 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.621 -0.227 -2.167 1.00 0.00 C ATOM 667 CG2 ILE A 49 11.095 -0.910 -4.523 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.607 0.859 -2.537 1.00 0.00 C ATOM 0 H ILE A 49 9.243 1.003 -1.377 1.00 0.00 H new ATOM 0 HA ILE A 49 10.311 1.544 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 49 9.825 -1.184 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.169 0.016 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.159 -1.166 -2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.644 -1.838 -4.360 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.288 -1.086 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.771 -0.154 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.364 0.944 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.087 0.608 -3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.082 1.809 -2.637 1.00 0.00 H new ATOM 680 N TYR A 50 8.329 0.782 -5.385 1.00 0.00 N ATOM 681 CA TYR A 50 7.109 0.520 -6.139 1.00 0.00 C ATOM 682 C TYR A 50 7.423 -0.182 -7.457 1.00 0.00 C ATOM 683 O TYR A 50 8.587 -0.346 -7.825 1.00 0.00 O ATOM 684 CB TYR A 50 6.362 1.827 -6.411 1.00 0.00 C ATOM 685 CG TYR A 50 6.092 2.640 -5.165 1.00 0.00 C ATOM 686 CD1 TYR A 50 7.130 3.243 -4.466 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.798 2.806 -4.687 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.888 3.986 -3.327 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.546 3.549 -3.550 1.00 0.00 C ATOM 690 CZ TYR A 50 5.594 4.136 -2.873 1.00 0.00 C ATOM 691 OH TYR A 50 5.349 4.877 -1.740 1.00 0.00 O ATOM 0 H TYR A 50 9.104 1.134 -5.946 1.00 0.00 H new ATOM 0 HA TYR A 50 6.476 -0.135 -5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.943 2.429 -7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.414 1.599 -6.899 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.144 3.129 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.975 2.346 -5.214 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.707 4.447 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.534 3.669 -3.193 1.00 0.00 H new ATOM 0 HH TYR A 50 4.530 5.401 -1.863 1.00 0.00 H new ATOM 701 N VAL A 51 6.376 -0.596 -8.164 1.00 0.00 N ATOM 702 CA VAL A 51 6.538 -1.279 -9.441 1.00 0.00 C ATOM 703 C VAL A 51 6.120 -0.382 -10.601 1.00 0.00 C ATOM 704 O VAL A 51 4.946 -0.039 -10.741 1.00 0.00 O ATOM 705 CB VAL A 51 5.716 -2.581 -9.490 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.720 -3.162 -10.895 1.00 0.00 C ATOM 707 CG2 VAL A 51 6.254 -3.588 -8.485 1.00 0.00 C ATOM 0 H VAL A 51 5.406 -0.470 -7.873 1.00 0.00 H new ATOM 0 HA VAL A 51 7.596 -1.523 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 51 4.685 -2.350 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.134 -4.081 -10.910 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.284 -2.442 -11.588 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.745 -3.380 -11.196 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.662 -4.502 -8.533 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.294 -3.817 -8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.193 -3.168 -7.481 1.00 0.00 H new ATOM 717 N SER A 52 7.087 -0.007 -11.431 1.00 0.00 N ATOM 718 CA SER A 52 6.820 0.853 -12.578 1.00 0.00 C ATOM 719 C SER A 52 6.292 0.039 -13.756 1.00 0.00 C ATOM 720 O SER A 52 5.235 0.341 -14.310 1.00 0.00 O ATOM 721 CB SER A 52 8.090 1.601 -12.989 1.00 0.00 C ATOM 722 OG SER A 52 9.200 0.722 -13.055 1.00 0.00 O ATOM 0 H SER A 52 8.063 -0.285 -11.331 1.00 0.00 H new ATOM 0 HA SER A 52 6.059 1.577 -12.288 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.939 2.075 -13.959 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.295 2.397 -12.273 1.00 0.00 H new ATOM 0 HG SER A 52 9.999 1.223 -13.321 1.00 0.00 H new ATOM 728 N ARG A 53 7.037 -0.996 -14.133 1.00 0.00 N ATOM 729 CA ARG A 53 6.646 -1.853 -15.246 1.00 0.00 C ATOM 730 C ARG A 53 6.808 -3.326 -14.880 1.00 0.00 C ATOM 731 O ARG A 53 7.604 -3.675 -14.008 1.00 0.00 O ATOM 732 CB ARG A 53 7.482 -1.529 -16.485 1.00 0.00 C ATOM 733 CG ARG A 53 6.764 -1.813 -17.795 1.00 0.00 C ATOM 734 CD ARG A 53 5.703 -0.765 -18.087 1.00 0.00 C ATOM 735 NE ARG A 53 4.798 -1.185 -19.154 1.00 0.00 N ATOM 736 CZ ARG A 53 3.784 -0.446 -19.591 1.00 0.00 C ATOM 737 NH1 ARG A 53 3.545 0.742 -19.054 1.00 0.00 N ATOM 738 NH2 ARG A 53 3.005 -0.897 -20.566 1.00 0.00 N ATOM 0 H ARG A 53 7.914 -1.261 -13.684 1.00 0.00 H new ATOM 0 HA ARG A 53 5.595 -1.664 -15.466 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.766 -0.477 -16.457 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.404 -2.109 -16.453 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.487 -1.837 -18.610 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.301 -2.799 -17.751 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.129 -0.568 -17.181 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.186 0.171 -18.368 1.00 0.00 H new ATOM 0 HE ARG A 53 4.953 -2.095 -19.587 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.140 1.091 -18.303 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.766 1.307 -19.392 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.184 -1.812 -20.980 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.227 -0.329 -20.901 1.00 0.00 H new ATOM 752 N ILE A 54 6.048 -4.184 -15.552 1.00 0.00 N ATOM 753 CA ILE A 54 6.108 -5.618 -15.298 1.00 0.00 C ATOM 754 C ILE A 54 6.266 -6.400 -16.597 1.00 0.00 C ATOM 755 O ILE A 54 5.509 -6.205 -17.549 1.00 0.00 O ATOM 756 CB ILE A 54 4.848 -6.113 -14.564 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.742 -5.455 -13.187 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.873 -7.628 -14.432 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.395 -5.649 -12.527 1.00 0.00 C ATOM 0 H ILE A 54 5.384 -3.911 -16.276 1.00 0.00 H new ATOM 0 HA ILE A 54 6.978 -5.790 -14.665 1.00 0.00 H new ATOM 0 HB ILE A 54 3.972 -5.833 -15.148 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.518 -5.862 -12.538 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.938 -4.387 -13.287 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.976 -7.963 -13.911 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.906 -8.079 -15.424 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.755 -7.929 -13.866 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.392 -5.156 -11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.616 -5.217 -13.155 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.205 -6.714 -12.395 1.00 0.00 H new ATOM 771 N LYS A 55 7.255 -7.287 -16.631 1.00 0.00 N ATOM 772 CA LYS A 55 7.512 -8.103 -17.812 1.00 0.00 C ATOM 773 C LYS A 55 6.232 -8.776 -18.298 1.00 0.00 C ATOM 774 O LYS A 55 5.244 -8.849 -17.568 1.00 0.00 O ATOM 775 CB LYS A 55 8.572 -9.163 -17.504 1.00 0.00 C ATOM 776 CG LYS A 55 9.968 -8.592 -17.324 1.00 0.00 C ATOM 777 CD LYS A 55 10.685 -8.441 -18.655 1.00 0.00 C ATOM 778 CE LYS A 55 11.963 -7.629 -18.512 1.00 0.00 C ATOM 779 NZ LYS A 55 12.471 -7.156 -19.829 1.00 0.00 N ATOM 0 H LYS A 55 7.892 -7.459 -15.853 1.00 0.00 H new ATOM 0 HA LYS A 55 7.880 -7.448 -18.602 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.287 -9.697 -16.597 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.589 -9.894 -18.313 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.904 -7.621 -16.832 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.547 -9.244 -16.670 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.922 -9.427 -19.055 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.023 -7.956 -19.373 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.778 -6.771 -17.865 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.726 -8.236 -18.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.343 -6.607 -19.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.672 -7.975 -20.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.753 -6.555 -20.283 1.00 0.00 H new ATOM 793 N GLU A 56 6.259 -9.266 -19.533 1.00 0.00 N ATOM 794 CA GLU A 56 5.100 -9.933 -20.115 1.00 0.00 C ATOM 795 C GLU A 56 5.168 -11.440 -19.886 1.00 0.00 C ATOM 796 O GLU A 56 4.144 -12.121 -19.858 1.00 0.00 O ATOM 797 CB GLU A 56 5.012 -9.637 -21.613 1.00 0.00 C ATOM 798 CG GLU A 56 6.018 -10.413 -22.447 1.00 0.00 C ATOM 799 CD GLU A 56 7.387 -9.762 -22.463 1.00 0.00 C ATOM 800 OE1 GLU A 56 7.496 -8.620 -22.958 1.00 0.00 O ATOM 801 OE2 GLU A 56 8.350 -10.394 -21.981 1.00 0.00 O ATOM 0 H GLU A 56 7.070 -9.214 -20.150 1.00 0.00 H new ATOM 0 HA GLU A 56 4.207 -9.548 -19.623 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.006 -9.870 -21.962 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.166 -8.570 -21.774 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.106 -11.426 -22.054 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.648 -10.499 -23.469 1.00 0.00 H new ATOM 808 N ASN A 57 6.383 -11.954 -19.723 1.00 0.00 N ATOM 809 CA ASN A 57 6.586 -13.380 -19.498 1.00 0.00 C ATOM 810 C ASN A 57 7.520 -13.617 -18.315 1.00 0.00 C ATOM 811 O ASN A 57 8.325 -14.547 -18.322 1.00 0.00 O ATOM 812 CB ASN A 57 7.160 -14.039 -20.754 1.00 0.00 C ATOM 813 CG ASN A 57 6.131 -14.166 -21.861 1.00 0.00 C ATOM 814 OD1 ASN A 57 4.958 -14.440 -21.606 1.00 0.00 O ATOM 815 ND2 ASN A 57 6.567 -13.968 -23.100 1.00 0.00 N ATOM 0 H ASN A 57 7.242 -11.404 -19.743 1.00 0.00 H new ATOM 0 HA ASN A 57 5.619 -13.827 -19.270 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.006 -13.454 -21.114 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.541 -15.028 -20.500 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.921 -14.041 -23.886 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.548 -13.743 -23.266 1.00 0.00 H new ATOM 822 N GLY A 58 7.406 -12.767 -17.298 1.00 0.00 N ATOM 823 CA GLY A 58 8.245 -12.901 -16.122 1.00 0.00 C ATOM 824 C GLY A 58 7.507 -13.519 -14.951 1.00 0.00 C ATOM 825 O GLY A 58 6.422 -14.076 -15.116 1.00 0.00 O ATOM 0 H GLY A 58 6.748 -11.989 -17.268 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.112 -13.515 -16.366 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.621 -11.919 -15.834 1.00 0.00 H new ATOM 829 N ALA A 59 8.098 -13.424 -13.764 1.00 0.00 N ATOM 830 CA ALA A 59 7.490 -13.978 -12.561 1.00 0.00 C ATOM 831 C ALA A 59 6.239 -13.199 -12.170 1.00 0.00 C ATOM 832 O ALA A 59 5.158 -13.771 -12.034 1.00 0.00 O ATOM 833 CB ALA A 59 8.492 -13.980 -11.416 1.00 0.00 C ATOM 0 H ALA A 59 8.998 -12.968 -13.610 1.00 0.00 H new ATOM 0 HA ALA A 59 7.195 -15.006 -12.773 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.024 -14.396 -10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.356 -14.586 -11.689 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.815 -12.959 -11.213 1.00 0.00 H new ATOM 839 N ALA A 60 6.394 -11.892 -11.989 1.00 0.00 N ATOM 840 CA ALA A 60 5.276 -11.035 -11.614 1.00 0.00 C ATOM 841 C ALA A 60 4.096 -11.226 -12.561 1.00 0.00 C ATOM 842 O ALA A 60 2.956 -11.384 -12.124 1.00 0.00 O ATOM 843 CB ALA A 60 5.711 -9.577 -11.598 1.00 0.00 C ATOM 0 H ALA A 60 7.283 -11.403 -12.096 1.00 0.00 H new ATOM 0 HA ALA A 60 4.954 -11.318 -10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.866 -8.948 -11.316 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.517 -9.446 -10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.061 -9.291 -12.590 1.00 0.00 H new ATOM 849 N ALA A 61 4.377 -11.211 -13.860 1.00 0.00 N ATOM 850 CA ALA A 61 3.338 -11.384 -14.868 1.00 0.00 C ATOM 851 C ALA A 61 2.520 -12.643 -14.603 1.00 0.00 C ATOM 852 O ALA A 61 1.302 -12.580 -14.432 1.00 0.00 O ATOM 853 CB ALA A 61 3.956 -11.437 -16.258 1.00 0.00 C ATOM 0 H ALA A 61 5.315 -11.081 -14.239 1.00 0.00 H new ATOM 0 HA ALA A 61 2.666 -10.528 -14.813 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.169 -11.566 -17.001 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.491 -10.508 -16.454 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.651 -12.275 -16.316 1.00 0.00 H new ATOM 859 N LEU A 62 3.196 -13.786 -14.570 1.00 0.00 N ATOM 860 CA LEU A 62 2.531 -15.061 -14.325 1.00 0.00 C ATOM 861 C LEU A 62 1.733 -15.019 -13.026 1.00 0.00 C ATOM 862 O LEU A 62 0.524 -15.254 -13.021 1.00 0.00 O ATOM 863 CB LEU A 62 3.559 -16.193 -14.269 1.00 0.00 C ATOM 864 CG LEU A 62 4.398 -16.400 -15.531 1.00 0.00 C ATOM 865 CD1 LEU A 62 5.644 -17.213 -15.215 1.00 0.00 C ATOM 866 CD2 LEU A 62 3.574 -17.083 -16.613 1.00 0.00 C ATOM 0 H LEU A 62 4.204 -13.856 -14.710 1.00 0.00 H new ATOM 0 HA LEU A 62 1.841 -15.246 -15.148 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.234 -16.003 -13.435 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.035 -17.123 -14.049 1.00 0.00 H new ATOM 0 HG LEU A 62 4.710 -15.424 -15.902 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.229 -17.351 -16.124 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.244 -16.686 -14.474 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.353 -18.186 -14.820 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.187 -17.222 -17.504 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.232 -18.053 -16.252 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.712 -16.463 -16.859 1.00 0.00 H new ATOM 878 N ASP A 63 2.416 -14.717 -11.928 1.00 0.00 N ATOM 879 CA ASP A 63 1.770 -14.640 -10.623 1.00 0.00 C ATOM 880 C ASP A 63 0.461 -13.861 -10.709 1.00 0.00 C ATOM 881 O ASP A 63 -0.567 -14.296 -10.191 1.00 0.00 O ATOM 882 CB ASP A 63 2.704 -13.981 -9.606 1.00 0.00 C ATOM 883 CG ASP A 63 2.328 -14.312 -8.175 1.00 0.00 C ATOM 884 OD1 ASP A 63 1.982 -15.482 -7.908 1.00 0.00 O ATOM 885 OD2 ASP A 63 2.380 -13.402 -7.322 1.00 0.00 O ATOM 0 H ASP A 63 3.417 -14.521 -11.915 1.00 0.00 H new ATOM 0 HA ASP A 63 1.547 -15.655 -10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.728 -14.305 -9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.682 -12.900 -9.744 1.00 0.00 H new ATOM 890 N GLY A 64 0.507 -12.707 -11.366 1.00 0.00 N ATOM 891 CA GLY A 64 -0.681 -11.885 -11.507 1.00 0.00 C ATOM 892 C GLY A 64 -0.960 -11.053 -10.272 1.00 0.00 C ATOM 893 O GLY A 64 -1.299 -9.874 -10.373 1.00 0.00 O ATOM 0 H GLY A 64 1.346 -12.326 -11.804 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.563 -11.225 -12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.539 -12.525 -11.712 1.00 0.00 H new ATOM 897 N ARG A 65 -0.818 -11.667 -9.102 1.00 0.00 N ATOM 898 CA ARG A 65 -1.060 -10.975 -7.841 1.00 0.00 C ATOM 899 C ARG A 65 -0.468 -9.569 -7.870 1.00 0.00 C ATOM 900 O ARG A 65 -1.147 -8.591 -7.554 1.00 0.00 O ATOM 901 CB ARG A 65 -0.463 -11.767 -6.677 1.00 0.00 C ATOM 902 CG ARG A 65 -1.273 -12.997 -6.299 1.00 0.00 C ATOM 903 CD ARG A 65 -0.854 -13.544 -4.943 1.00 0.00 C ATOM 904 NE ARG A 65 0.455 -14.189 -4.993 1.00 0.00 N ATOM 905 CZ ARG A 65 0.856 -15.107 -4.121 1.00 0.00 C ATOM 906 NH1 ARG A 65 0.054 -15.486 -3.136 1.00 0.00 N ATOM 907 NH2 ARG A 65 2.063 -15.648 -4.233 1.00 0.00 N ATOM 0 H ARG A 65 -0.537 -12.642 -9.001 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.138 -10.894 -7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.549 -12.075 -6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.382 -11.114 -5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.333 -12.744 -6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.143 -13.767 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.830 -12.732 -4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.598 -14.261 -4.596 1.00 0.00 H new ATOM 0 HE ARG A 65 1.097 -13.920 -5.739 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.874 -15.072 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.365 -16.191 -2.468 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.683 -15.359 -4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.370 -16.353 -3.563 1.00 0.00 H new ATOM 921 N LEU A 66 0.801 -9.475 -8.251 1.00 0.00 N ATOM 922 CA LEU A 66 1.486 -8.189 -8.321 1.00 0.00 C ATOM 923 C LEU A 66 0.972 -7.362 -9.495 1.00 0.00 C ATOM 924 O LEU A 66 0.484 -7.907 -10.484 1.00 0.00 O ATOM 925 CB LEU A 66 2.995 -8.399 -8.453 1.00 0.00 C ATOM 926 CG LEU A 66 3.855 -7.136 -8.410 1.00 0.00 C ATOM 927 CD1 LEU A 66 3.899 -6.568 -6.999 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.261 -7.430 -8.912 1.00 0.00 C ATOM 0 H LEU A 66 1.377 -10.274 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 66 1.280 -7.645 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.320 -9.063 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.189 -8.914 -9.394 1.00 0.00 H new ATOM 0 HG LEU A 66 3.405 -6.391 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.516 -5.669 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.888 -6.319 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.324 -7.309 -6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.859 -6.519 -8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.720 -8.192 -8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.213 -7.790 -9.940 1.00 0.00 H new ATOM 940 N GLN A 67 1.086 -6.043 -9.378 1.00 0.00 N ATOM 941 CA GLN A 67 0.634 -5.141 -10.430 1.00 0.00 C ATOM 942 C GLN A 67 1.271 -3.763 -10.277 1.00 0.00 C ATOM 943 O GLN A 67 1.518 -3.304 -9.163 1.00 0.00 O ATOM 944 CB GLN A 67 -0.890 -5.016 -10.404 1.00 0.00 C ATOM 945 CG GLN A 67 -1.436 -4.498 -9.084 1.00 0.00 C ATOM 946 CD GLN A 67 -2.903 -4.124 -9.165 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.279 -2.980 -8.909 1.00 0.00 O ATOM 948 NE2 GLN A 67 -3.741 -5.090 -9.523 1.00 0.00 N ATOM 0 H GLN A 67 1.488 -5.576 -8.565 1.00 0.00 H new ATOM 0 HA GLN A 67 0.941 -5.559 -11.389 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.205 -4.347 -11.205 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.330 -5.992 -10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.301 -5.259 -8.316 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.860 -3.626 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.386 -6.024 -9.726 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.740 -4.898 -9.595 1.00 0.00 H new ATOM 957 N GLU A 68 1.534 -3.110 -11.405 1.00 0.00 N ATOM 958 CA GLU A 68 2.143 -1.785 -11.394 1.00 0.00 C ATOM 959 C GLU A 68 1.495 -0.896 -10.337 1.00 0.00 C ATOM 960 O GLU A 68 0.318 -1.054 -10.014 1.00 0.00 O ATOM 961 CB GLU A 68 2.018 -1.131 -12.772 1.00 0.00 C ATOM 962 CG GLU A 68 2.802 -1.848 -13.859 1.00 0.00 C ATOM 963 CD GLU A 68 2.377 -1.433 -15.255 1.00 0.00 C ATOM 964 OE1 GLU A 68 1.872 -0.302 -15.409 1.00 0.00 O ATOM 965 OE2 GLU A 68 2.552 -2.240 -16.192 1.00 0.00 O ATOM 0 H GLU A 68 1.335 -3.476 -12.336 1.00 0.00 H new ATOM 0 HA GLU A 68 3.199 -1.901 -11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.966 -1.099 -13.056 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.363 -0.099 -12.708 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.865 -1.643 -13.731 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.669 -2.924 -13.748 1.00 0.00 H new ATOM 972 N GLY A 69 2.273 0.040 -9.801 1.00 0.00 N ATOM 973 CA GLY A 69 1.758 0.940 -8.786 1.00 0.00 C ATOM 974 C GLY A 69 1.878 0.366 -7.388 1.00 0.00 C ATOM 975 O GLY A 69 1.602 1.050 -6.402 1.00 0.00 O ATOM 0 H GLY A 69 3.250 0.191 -10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.298 1.885 -8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.711 1.160 -8.997 1.00 0.00 H new ATOM 979 N ASP A 70 2.290 -0.894 -7.300 1.00 0.00 N ATOM 980 CA ASP A 70 2.446 -1.560 -6.013 1.00 0.00 C ATOM 981 C ASP A 70 3.465 -0.831 -5.143 1.00 0.00 C ATOM 982 O ASP A 70 4.287 -0.062 -5.642 1.00 0.00 O ATOM 983 CB ASP A 70 2.877 -3.014 -6.215 1.00 0.00 C ATOM 984 CG ASP A 70 4.384 -3.172 -6.239 1.00 0.00 C ATOM 985 OD1 ASP A 70 5.079 -2.188 -6.567 1.00 0.00 O ATOM 986 OD2 ASP A 70 4.869 -4.281 -5.931 1.00 0.00 O ATOM 0 H ASP A 70 2.522 -1.475 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 70 1.482 -1.542 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.463 -3.627 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.460 -3.387 -7.151 1.00 0.00 H new ATOM 991 N LYS A 71 3.405 -1.076 -3.838 1.00 0.00 N ATOM 992 CA LYS A 71 4.322 -0.444 -2.898 1.00 0.00 C ATOM 993 C LYS A 71 4.866 -1.462 -1.900 1.00 0.00 C ATOM 994 O LYS A 71 4.296 -1.657 -0.826 1.00 0.00 O ATOM 995 CB LYS A 71 3.617 0.691 -2.151 1.00 0.00 C ATOM 996 CG LYS A 71 4.570 1.631 -1.433 1.00 0.00 C ATOM 997 CD LYS A 71 5.035 1.048 -0.109 1.00 0.00 C ATOM 998 CE LYS A 71 5.971 1.999 0.621 1.00 0.00 C ATOM 999 NZ LYS A 71 6.956 1.269 1.465 1.00 0.00 N ATOM 0 H LYS A 71 2.730 -1.708 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 71 5.158 -0.034 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.019 1.265 -2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.926 0.263 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.434 1.830 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.077 2.587 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.170 0.834 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.543 0.100 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.501 2.615 -0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.387 2.674 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.740 1.905 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.491 0.939 2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.326 0.452 0.939 1.00 0.00 H new ATOM 1013 N ILE A 72 5.970 -2.106 -2.261 1.00 0.00 N ATOM 1014 CA ILE A 72 6.591 -3.102 -1.396 1.00 0.00 C ATOM 1015 C ILE A 72 7.014 -2.487 -0.066 1.00 0.00 C ATOM 1016 O ILE A 72 8.137 -2.002 0.077 1.00 0.00 O ATOM 1017 CB ILE A 72 7.820 -3.742 -2.067 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.438 -4.332 -3.426 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.417 -4.814 -1.167 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.626 -4.613 -4.319 1.00 0.00 C ATOM 0 H ILE A 72 6.453 -1.956 -3.147 1.00 0.00 H new ATOM 0 HA ILE A 72 5.843 -3.874 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 72 8.572 -2.969 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.885 -5.258 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.765 -3.642 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.285 -5.257 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.722 -4.366 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.672 -5.587 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.280 -5.030 -5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.167 -3.686 -4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.289 -5.327 -3.829 1.00 0.00 H new ATOM 1032 N LEU A 73 6.108 -2.511 0.905 1.00 0.00 N ATOM 1033 CA LEU A 73 6.387 -1.958 2.226 1.00 0.00 C ATOM 1034 C LEU A 73 7.677 -2.537 2.797 1.00 0.00 C ATOM 1035 O LEU A 73 8.568 -1.799 3.216 1.00 0.00 O ATOM 1036 CB LEU A 73 5.222 -2.242 3.176 1.00 0.00 C ATOM 1037 CG LEU A 73 3.830 -1.883 2.656 1.00 0.00 C ATOM 1038 CD1 LEU A 73 2.786 -2.831 3.227 1.00 0.00 C ATOM 1039 CD2 LEU A 73 3.488 -0.440 3.001 1.00 0.00 C ATOM 0 H LEU A 73 5.174 -2.907 0.803 1.00 0.00 H new ATOM 0 HA LEU A 73 6.509 -0.880 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.233 -3.303 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.394 -1.695 4.103 1.00 0.00 H new ATOM 0 HG LEU A 73 3.830 -1.986 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.801 -2.560 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.021 -3.853 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.786 -2.760 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.494 -0.201 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.506 -0.311 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.219 0.227 2.544 1.00 0.00 H new ATOM 1051 N SER A 74 7.770 -3.863 2.809 1.00 0.00 N ATOM 1052 CA SER A 74 8.951 -4.542 3.330 1.00 0.00 C ATOM 1053 C SER A 74 9.302 -5.756 2.475 1.00 0.00 C ATOM 1054 O SER A 74 8.474 -6.250 1.709 1.00 0.00 O ATOM 1055 CB SER A 74 8.719 -4.974 4.779 1.00 0.00 C ATOM 1056 OG SER A 74 8.285 -3.884 5.573 1.00 0.00 O ATOM 0 H SER A 74 7.042 -4.488 2.464 1.00 0.00 H new ATOM 0 HA SER A 74 9.786 -3.842 3.296 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.974 -5.769 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.641 -5.384 5.192 1.00 0.00 H new ATOM 0 HG SER A 74 8.142 -4.187 6.494 1.00 0.00 H new ATOM 1062 N VAL A 75 10.535 -6.232 2.612 1.00 0.00 N ATOM 1063 CA VAL A 75 10.996 -7.389 1.854 1.00 0.00 C ATOM 1064 C VAL A 75 11.366 -8.542 2.781 1.00 0.00 C ATOM 1065 O VAL A 75 12.374 -8.487 3.484 1.00 0.00 O ATOM 1066 CB VAL A 75 12.214 -7.037 0.979 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.620 -8.228 0.125 1.00 0.00 C ATOM 1068 CG2 VAL A 75 11.913 -5.825 0.111 1.00 0.00 C ATOM 0 H VAL A 75 11.233 -5.834 3.241 1.00 0.00 H new ATOM 0 HA VAL A 75 10.171 -7.695 1.210 1.00 0.00 H new ATOM 0 HB VAL A 75 13.050 -6.788 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.482 -7.960 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.879 -9.067 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.790 -8.511 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.784 -5.590 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.063 -6.043 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.676 -4.972 0.747 1.00 0.00 H new ATOM 1078 N ASN A 76 10.543 -9.585 2.776 1.00 0.00 N ATOM 1079 CA ASN A 76 10.784 -10.752 3.617 1.00 0.00 C ATOM 1080 C ASN A 76 11.134 -10.334 5.041 1.00 0.00 C ATOM 1081 O ASN A 76 11.820 -11.058 5.762 1.00 0.00 O ATOM 1082 CB ASN A 76 11.912 -11.605 3.032 1.00 0.00 C ATOM 1083 CG ASN A 76 13.171 -10.799 2.775 1.00 0.00 C ATOM 1084 OD1 ASN A 76 13.846 -10.366 3.709 1.00 0.00 O ATOM 1085 ND2 ASN A 76 13.493 -10.595 1.503 1.00 0.00 N ATOM 0 H ASN A 76 9.704 -9.646 2.199 1.00 0.00 H new ATOM 0 HA ASN A 76 9.868 -11.343 3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.140 -12.421 3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.576 -12.057 2.099 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.329 -10.061 1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.904 -10.973 0.761 1.00 0.00 H new ATOM 1092 N GLY A 77 10.657 -9.159 5.441 1.00 0.00 N ATOM 1093 CA GLY A 77 10.929 -8.664 6.778 1.00 0.00 C ATOM 1094 C GLY A 77 11.694 -7.355 6.767 1.00 0.00 C ATOM 1095 O GLY A 77 11.473 -6.493 7.617 1.00 0.00 O ATOM 0 H GLY A 77 10.087 -8.541 4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.987 -8.527 7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.500 -9.411 7.329 1.00 0.00 H new ATOM 1099 N GLN A 78 12.597 -7.208 5.803 1.00 0.00 N ATOM 1100 CA GLN A 78 13.399 -5.995 5.687 1.00 0.00 C ATOM 1101 C GLN A 78 12.536 -4.810 5.269 1.00 0.00 C ATOM 1102 O GLN A 78 12.224 -4.642 4.090 1.00 0.00 O ATOM 1103 CB GLN A 78 14.529 -6.201 4.677 1.00 0.00 C ATOM 1104 CG GLN A 78 15.706 -6.987 5.231 1.00 0.00 C ATOM 1105 CD GLN A 78 16.931 -6.910 4.341 1.00 0.00 C ATOM 1106 OE1 GLN A 78 17.545 -7.928 4.021 1.00 0.00 O ATOM 1107 NE2 GLN A 78 17.293 -5.699 3.936 1.00 0.00 N ATOM 0 H GLN A 78 12.792 -7.913 5.092 1.00 0.00 H new ATOM 0 HA GLN A 78 13.830 -5.779 6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 78 14.134 -6.721 3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.882 -5.228 4.336 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.957 -6.608 6.222 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.416 -8.030 5.353 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.755 -4.882 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.109 -5.585 3.335 1.00 0.00 H new ATOM 1116 N ASP A 79 12.154 -3.991 6.243 1.00 0.00 N ATOM 1117 CA ASP A 79 11.327 -2.819 5.975 1.00 0.00 C ATOM 1118 C ASP A 79 12.085 -1.799 5.132 1.00 0.00 C ATOM 1119 O ASP A 79 13.016 -1.150 5.612 1.00 0.00 O ATOM 1120 CB ASP A 79 10.874 -2.178 7.288 1.00 0.00 C ATOM 1121 CG ASP A 79 11.896 -2.342 8.396 1.00 0.00 C ATOM 1122 OD1 ASP A 79 12.013 -3.463 8.933 1.00 0.00 O ATOM 1123 OD2 ASP A 79 12.579 -1.349 8.725 1.00 0.00 O ATOM 0 H ASP A 79 12.403 -4.116 7.224 1.00 0.00 H new ATOM 0 HA ASP A 79 10.450 -3.144 5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.687 -1.117 7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.930 -2.624 7.600 1.00 0.00 H new ATOM 1128 N LEU A 80 11.683 -1.664 3.873 1.00 0.00 N ATOM 1129 CA LEU A 80 12.325 -0.724 2.962 1.00 0.00 C ATOM 1130 C LEU A 80 12.019 0.717 3.360 1.00 0.00 C ATOM 1131 O LEU A 80 10.914 1.213 3.137 1.00 0.00 O ATOM 1132 CB LEU A 80 11.862 -0.977 1.526 1.00 0.00 C ATOM 1133 CG LEU A 80 12.042 -2.403 1.004 1.00 0.00 C ATOM 1134 CD1 LEU A 80 10.961 -2.741 -0.011 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.425 -2.576 0.392 1.00 0.00 C ATOM 0 H LEU A 80 10.915 -2.194 3.460 1.00 0.00 H new ATOM 0 HA LEU A 80 13.402 -0.877 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.806 -0.716 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.403 -0.299 0.866 1.00 0.00 H new ATOM 0 HG LEU A 80 11.950 -3.091 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.106 -3.760 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.981 -2.658 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.020 -2.048 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.536 -3.597 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.546 -1.878 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.185 -2.377 1.148 1.00 0.00 H new ATOM 1147 N LYS A 81 13.005 1.384 3.949 1.00 0.00 N ATOM 1148 CA LYS A 81 12.844 2.769 4.376 1.00 0.00 C ATOM 1149 C LYS A 81 14.200 3.440 4.572 1.00 0.00 C ATOM 1150 O LYS A 81 15.103 2.868 5.181 1.00 0.00 O ATOM 1151 CB LYS A 81 12.039 2.833 5.676 1.00 0.00 C ATOM 1152 CG LYS A 81 12.539 1.882 6.748 1.00 0.00 C ATOM 1153 CD LYS A 81 12.133 2.345 8.138 1.00 0.00 C ATOM 1154 CE LYS A 81 12.955 3.543 8.588 1.00 0.00 C ATOM 1155 NZ LYS A 81 12.484 4.079 9.895 1.00 0.00 N ATOM 0 H LYS A 81 13.925 0.988 4.142 1.00 0.00 H new ATOM 0 HA LYS A 81 12.304 3.303 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.070 3.852 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.995 2.606 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.140 0.884 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.625 1.807 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.075 2.607 8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.261 1.527 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.003 3.254 8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.899 4.327 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.069 4.894 10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.492 4.378 9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.562 3.339 10.622 1.00 0.00 H new ATOM 1169 N ASN A 82 14.335 4.655 4.052 1.00 0.00 N ATOM 1170 CA ASN A 82 15.581 5.404 4.171 1.00 0.00 C ATOM 1171 C ASN A 82 16.720 4.680 3.461 1.00 0.00 C ATOM 1172 O ASN A 82 17.818 4.543 4.003 1.00 0.00 O ATOM 1173 CB ASN A 82 15.935 5.613 5.645 1.00 0.00 C ATOM 1174 CG ASN A 82 14.808 6.264 6.424 1.00 0.00 C ATOM 1175 OD1 ASN A 82 13.913 6.879 5.845 1.00 0.00 O ATOM 1176 ND2 ASN A 82 14.848 6.131 7.744 1.00 0.00 N ATOM 0 H ASN A 82 13.597 5.142 3.544 1.00 0.00 H new ATOM 0 HA ASN A 82 15.440 6.375 3.697 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.178 4.651 6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.828 6.233 5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.117 6.548 8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.609 5.612 8.181 1.00 0.00 H new ATOM 1183 N LEU A 83 16.453 4.218 2.244 1.00 0.00 N ATOM 1184 CA LEU A 83 17.456 3.508 1.458 1.00 0.00 C ATOM 1185 C LEU A 83 17.534 4.069 0.041 1.00 0.00 C ATOM 1186 O LEU A 83 16.719 4.904 -0.353 1.00 0.00 O ATOM 1187 CB LEU A 83 17.130 2.014 1.409 1.00 0.00 C ATOM 1188 CG LEU A 83 15.703 1.651 0.997 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.440 2.070 -0.441 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.461 0.159 1.173 1.00 0.00 C ATOM 0 H LEU A 83 15.550 4.322 1.780 1.00 0.00 H new ATOM 0 HA LEU A 83 18.424 3.647 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.820 1.535 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.322 1.588 2.394 1.00 0.00 H new ATOM 0 HG LEU A 83 15.010 2.190 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.420 1.804 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.572 3.148 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.140 1.559 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.440 -0.082 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.162 -0.399 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.607 -0.113 2.218 1.00 0.00 H new ATOM 1202 N LEU A 84 18.519 3.604 -0.720 1.00 0.00 N ATOM 1203 CA LEU A 84 18.703 4.058 -2.094 1.00 0.00 C ATOM 1204 C LEU A 84 18.170 3.027 -3.084 1.00 0.00 C ATOM 1205 O LEU A 84 17.815 1.911 -2.703 1.00 0.00 O ATOM 1206 CB LEU A 84 20.183 4.328 -2.369 1.00 0.00 C ATOM 1207 CG LEU A 84 20.922 5.155 -1.316 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.389 4.760 -1.259 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.779 6.641 -1.609 1.00 0.00 C ATOM 0 H LEU A 84 19.202 2.913 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 84 18.141 4.983 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.693 3.370 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.266 4.840 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 84 20.475 4.952 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.898 5.359 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.472 3.704 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.850 4.933 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.311 7.214 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.200 6.860 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.724 6.914 -1.597 1.00 0.00 H new ATOM 1221 N HIS A 85 18.117 3.408 -4.356 1.00 0.00 N ATOM 1222 CA HIS A 85 17.630 2.515 -5.402 1.00 0.00 C ATOM 1223 C HIS A 85 18.444 1.225 -5.438 1.00 0.00 C ATOM 1224 O HIS A 85 17.891 0.135 -5.582 1.00 0.00 O ATOM 1225 CB HIS A 85 17.691 3.208 -6.763 1.00 0.00 C ATOM 1226 CG HIS A 85 17.242 2.341 -7.898 1.00 0.00 C ATOM 1227 ND1 HIS A 85 15.960 1.844 -8.004 1.00 0.00 N ATOM 1228 CD2 HIS A 85 17.912 1.883 -8.982 1.00 0.00 C ATOM 1229 CE1 HIS A 85 15.861 1.117 -9.102 1.00 0.00 C ATOM 1230 NE2 HIS A 85 17.032 1.125 -9.714 1.00 0.00 N ATOM 0 H HIS A 85 18.405 4.329 -4.688 1.00 0.00 H new ATOM 0 HA HIS A 85 16.594 2.264 -5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.070 4.104 -6.733 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.714 3.535 -6.949 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.946 2.078 -9.225 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.974 0.603 -9.442 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.247 0.646 -10.588 1.00 0.00 H new ATOM 1238 N GLN A 86 19.760 1.358 -5.307 1.00 0.00 N ATOM 1239 CA GLN A 86 20.650 0.202 -5.326 1.00 0.00 C ATOM 1240 C GLN A 86 20.398 -0.698 -4.121 1.00 0.00 C ATOM 1241 O GLN A 86 20.162 -1.898 -4.269 1.00 0.00 O ATOM 1242 CB GLN A 86 22.110 0.657 -5.341 1.00 0.00 C ATOM 1243 CG GLN A 86 23.104 -0.492 -5.402 1.00 0.00 C ATOM 1244 CD GLN A 86 23.131 -1.170 -6.757 1.00 0.00 C ATOM 1245 OE1 GLN A 86 24.052 -0.966 -7.548 1.00 0.00 O ATOM 1246 NE2 GLN A 86 22.118 -1.983 -7.033 1.00 0.00 N ATOM 0 H GLN A 86 20.233 2.253 -5.187 1.00 0.00 H new ATOM 0 HA GLN A 86 20.445 -0.368 -6.232 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.270 1.311 -6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.307 1.250 -4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 86 24.101 -0.118 -5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.851 -1.227 -4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.375 -2.123 -6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.083 -2.467 -7.930 1.00 0.00 H new ATOM 1255 N ASP A 87 20.450 -0.113 -2.930 1.00 0.00 N ATOM 1256 CA ASP A 87 20.227 -0.862 -1.699 1.00 0.00 C ATOM 1257 C ASP A 87 18.956 -1.700 -1.796 1.00 0.00 C ATOM 1258 O ASP A 87 18.909 -2.833 -1.316 1.00 0.00 O ATOM 1259 CB ASP A 87 20.135 0.090 -0.506 1.00 0.00 C ATOM 1260 CG ASP A 87 21.490 0.387 0.104 1.00 0.00 C ATOM 1261 OD1 ASP A 87 22.294 1.086 -0.548 1.00 0.00 O ATOM 1262 OD2 ASP A 87 21.747 -0.079 1.234 1.00 0.00 O ATOM 0 H ASP A 87 20.645 0.878 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 87 21.073 -1.533 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.671 1.023 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.486 -0.346 0.253 1.00 0.00 H new ATOM 1267 N ALA A 88 17.927 -1.135 -2.418 1.00 0.00 N ATOM 1268 CA ALA A 88 16.656 -1.831 -2.579 1.00 0.00 C ATOM 1269 C ALA A 88 16.766 -2.944 -3.614 1.00 0.00 C ATOM 1270 O ALA A 88 16.387 -4.087 -3.355 1.00 0.00 O ATOM 1271 CB ALA A 88 15.563 -0.848 -2.972 1.00 0.00 C ATOM 0 H ALA A 88 17.948 -0.197 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 88 16.395 -2.285 -1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.619 -1.381 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.458 -0.091 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.827 -0.367 -3.914 1.00 0.00 H new ATOM 1277 N VAL A 89 17.287 -2.605 -4.789 1.00 0.00 N ATOM 1278 CA VAL A 89 17.448 -3.576 -5.864 1.00 0.00 C ATOM 1279 C VAL A 89 18.164 -4.829 -5.370 1.00 0.00 C ATOM 1280 O VAL A 89 17.724 -5.950 -5.626 1.00 0.00 O ATOM 1281 CB VAL A 89 18.235 -2.981 -7.046 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.415 -4.017 -8.145 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.535 -1.741 -7.581 1.00 0.00 C ATOM 0 H VAL A 89 17.605 -1.664 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 89 16.447 -3.842 -6.202 1.00 0.00 H new ATOM 0 HB VAL A 89 19.223 -2.689 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.973 -3.577 -8.971 1.00 0.00 H new ATOM 0 HG12 VAL A 89 18.963 -4.873 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.438 -4.344 -8.501 1.00 0.00 H new ATOM 0 HG21 VAL A 89 18.105 -1.333 -8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.534 -2.006 -7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.464 -0.994 -6.791 1.00 0.00 H new ATOM 1293 N ASP A 90 19.270 -4.630 -4.661 1.00 0.00 N ATOM 1294 CA ASP A 90 20.047 -5.744 -4.129 1.00 0.00 C ATOM 1295 C ASP A 90 19.191 -6.618 -3.219 1.00 0.00 C ATOM 1296 O ASP A 90 19.030 -7.815 -3.461 1.00 0.00 O ATOM 1297 CB ASP A 90 21.263 -5.224 -3.362 1.00 0.00 C ATOM 1298 CG ASP A 90 22.446 -6.168 -3.443 1.00 0.00 C ATOM 1299 OD1 ASP A 90 22.482 -7.143 -2.664 1.00 0.00 O ATOM 1300 OD2 ASP A 90 23.338 -5.932 -4.286 1.00 0.00 O ATOM 0 H ASP A 90 19.648 -3.709 -4.441 1.00 0.00 H new ATOM 0 HA ASP A 90 20.388 -6.351 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.551 -4.251 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 90 20.993 -5.074 -2.317 1.00 0.00 H new ATOM 1305 N LEU A 91 18.644 -6.013 -2.170 1.00 0.00 N ATOM 1306 CA LEU A 91 17.804 -6.737 -1.221 1.00 0.00 C ATOM 1307 C LEU A 91 16.877 -7.708 -1.945 1.00 0.00 C ATOM 1308 O LEU A 91 16.723 -8.858 -1.535 1.00 0.00 O ATOM 1309 CB LEU A 91 16.981 -5.754 -0.386 1.00 0.00 C ATOM 1310 CG LEU A 91 16.055 -6.375 0.661 1.00 0.00 C ATOM 1311 CD1 LEU A 91 16.815 -7.374 1.520 1.00 0.00 C ATOM 1312 CD2 LEU A 91 15.428 -5.292 1.527 1.00 0.00 C ATOM 0 H LEU A 91 18.767 -5.024 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 91 18.455 -7.310 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.667 -5.076 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.378 -5.149 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 91 15.256 -6.906 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.140 -7.806 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 91 17.216 -8.166 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.634 -6.867 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.772 -5.752 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 91 16.213 -4.733 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.849 -4.614 0.900 1.00 0.00 H new ATOM 1324 N PHE A 92 16.262 -7.237 -3.025 1.00 0.00 N ATOM 1325 CA PHE A 92 15.351 -8.063 -3.807 1.00 0.00 C ATOM 1326 C PHE A 92 16.029 -9.359 -4.242 1.00 0.00 C ATOM 1327 O PHE A 92 15.495 -10.450 -4.041 1.00 0.00 O ATOM 1328 CB PHE A 92 14.858 -7.295 -5.035 1.00 0.00 C ATOM 1329 CG PHE A 92 13.764 -6.313 -4.729 1.00 0.00 C ATOM 1330 CD1 PHE A 92 13.855 -5.474 -3.631 1.00 0.00 C ATOM 1331 CD2 PHE A 92 12.643 -6.230 -5.540 1.00 0.00 C ATOM 1332 CE1 PHE A 92 12.849 -4.569 -3.346 1.00 0.00 C ATOM 1333 CE2 PHE A 92 11.635 -5.327 -5.261 1.00 0.00 C ATOM 1334 CZ PHE A 92 11.737 -4.496 -4.162 1.00 0.00 C ATOM 0 H PHE A 92 16.378 -6.287 -3.378 1.00 0.00 H new ATOM 0 HA PHE A 92 14.497 -8.314 -3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 92 15.698 -6.763 -5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.499 -8.007 -5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.722 -5.527 -2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.556 -6.878 -6.399 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.933 -3.920 -2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.768 -5.271 -5.902 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.949 -3.791 -3.941 1.00 0.00 H new ATOM 1344 N ARG A 93 17.209 -9.231 -4.840 1.00 0.00 N ATOM 1345 CA ARG A 93 17.960 -10.390 -5.305 1.00 0.00 C ATOM 1346 C ARG A 93 18.449 -11.230 -4.128 1.00 0.00 C ATOM 1347 O ARG A 93 18.368 -12.457 -4.152 1.00 0.00 O ATOM 1348 CB ARG A 93 19.151 -9.945 -6.157 1.00 0.00 C ATOM 1349 CG ARG A 93 18.752 -9.188 -7.412 1.00 0.00 C ATOM 1350 CD ARG A 93 19.919 -8.394 -7.978 1.00 0.00 C ATOM 1351 NE ARG A 93 20.086 -7.110 -7.303 1.00 0.00 N ATOM 1352 CZ ARG A 93 21.012 -6.218 -7.639 1.00 0.00 C ATOM 1353 NH1 ARG A 93 21.848 -6.469 -8.636 1.00 0.00 N ATOM 1354 NH2 ARG A 93 21.102 -5.072 -6.976 1.00 0.00 N ATOM 0 H ARG A 93 17.665 -8.336 -5.014 1.00 0.00 H new ATOM 0 HA ARG A 93 17.294 -11.002 -5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 93 19.803 -9.313 -5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 93 19.732 -10.823 -6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 93 18.390 -9.891 -8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 93 17.927 -8.513 -7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.835 -8.977 -7.880 1.00 0.00 H new ATOM 0 HD3 ARG A 93 19.760 -8.226 -9.043 1.00 0.00 H new ATOM 0 HE ARG A 93 19.458 -6.885 -6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 93 21.782 -7.349 -9.148 1.00 0.00 H new ATOM 0 HH12 ARG A 93 22.558 -5.782 -8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 93 20.460 -4.875 -6.208 1.00 0.00 H new ATOM 0 HH22 ARG A 93 21.813 -4.388 -7.234 1.00 0.00 H new ATOM 1368 N ASN A 94 18.956 -10.558 -3.099 1.00 0.00 N ATOM 1369 CA ASN A 94 19.459 -11.242 -1.913 1.00 0.00 C ATOM 1370 C ASN A 94 18.368 -12.098 -1.276 1.00 0.00 C ATOM 1371 O ASN A 94 18.634 -13.193 -0.782 1.00 0.00 O ATOM 1372 CB ASN A 94 19.984 -10.226 -0.897 1.00 0.00 C ATOM 1373 CG ASN A 94 20.702 -10.887 0.264 1.00 0.00 C ATOM 1374 OD1 ASN A 94 21.759 -11.493 0.090 1.00 0.00 O ATOM 1375 ND2 ASN A 94 20.128 -10.773 1.456 1.00 0.00 N ATOM 0 H ASN A 94 19.029 -9.541 -3.063 1.00 0.00 H new ATOM 0 HA ASN A 94 20.276 -11.895 -2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.664 -9.536 -1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 94 19.152 -9.634 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.564 -11.197 2.275 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.251 -10.261 1.553 1.00 0.00 H new ATOM 1382 N ALA A 95 17.140 -11.591 -1.292 1.00 0.00 N ATOM 1383 CA ALA A 95 16.009 -12.309 -0.718 1.00 0.00 C ATOM 1384 C ALA A 95 16.166 -13.815 -0.900 1.00 0.00 C ATOM 1385 O ALA A 95 15.933 -14.590 0.027 1.00 0.00 O ATOM 1386 CB ALA A 95 14.708 -11.833 -1.346 1.00 0.00 C ATOM 0 H ALA A 95 16.903 -10.685 -1.697 1.00 0.00 H new ATOM 0 HA ALA A 95 15.982 -12.099 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.872 -12.378 -0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.583 -10.766 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.735 -12.013 -2.421 1.00 0.00 H new ATOM 1392 N GLY A 96 16.562 -14.224 -2.102 1.00 0.00 N ATOM 1393 CA GLY A 96 16.743 -15.636 -2.383 1.00 0.00 C ATOM 1394 C GLY A 96 15.624 -16.205 -3.234 1.00 0.00 C ATOM 1395 O GLY A 96 14.693 -15.491 -3.606 1.00 0.00 O ATOM 0 H GLY A 96 16.761 -13.602 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.695 -15.783 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.797 -16.186 -1.444 1.00 0.00 H new ATOM 1399 N TYR A 97 15.716 -17.494 -3.543 1.00 0.00 N ATOM 1400 CA TYR A 97 14.706 -18.157 -4.358 1.00 0.00 C ATOM 1401 C TYR A 97 13.309 -17.643 -4.022 1.00 0.00 C ATOM 1402 O TYR A 97 12.557 -17.234 -4.905 1.00 0.00 O ATOM 1403 CB TYR A 97 14.767 -19.672 -4.151 1.00 0.00 C ATOM 1404 CG TYR A 97 14.012 -20.457 -5.199 1.00 0.00 C ATOM 1405 CD1 TYR A 97 14.490 -20.555 -6.500 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.820 -21.101 -4.889 1.00 0.00 C ATOM 1407 CE1 TYR A 97 13.804 -21.272 -7.461 1.00 0.00 C ATOM 1408 CE2 TYR A 97 12.128 -21.821 -5.843 1.00 0.00 C ATOM 1409 CZ TYR A 97 12.623 -21.903 -7.128 1.00 0.00 C ATOM 1410 OH TYR A 97 11.936 -22.618 -8.082 1.00 0.00 O ATOM 0 H TYR A 97 16.479 -18.100 -3.241 1.00 0.00 H new ATOM 0 HA TYR A 97 14.915 -17.930 -5.404 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.810 -19.989 -4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.363 -19.912 -3.168 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.414 -20.062 -6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 97 12.428 -21.037 -3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 97 14.190 -21.338 -8.467 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.204 -22.317 -5.584 1.00 0.00 H new ATOM 0 HH TYR A 97 11.126 -23.001 -7.684 1.00 0.00 H new ATOM 1420 N ALA A 98 12.971 -17.666 -2.737 1.00 0.00 N ATOM 1421 CA ALA A 98 11.667 -17.200 -2.282 1.00 0.00 C ATOM 1422 C ALA A 98 11.732 -15.746 -1.827 1.00 0.00 C ATOM 1423 O ALA A 98 12.490 -15.402 -0.920 1.00 0.00 O ATOM 1424 CB ALA A 98 11.154 -18.085 -1.156 1.00 0.00 C ATOM 0 H ALA A 98 13.582 -18.002 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 98 10.974 -17.260 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.179 -17.725 -0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.061 -19.111 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.854 -18.054 -0.321 1.00 0.00 H new ATOM 1430 N VAL A 99 10.933 -14.895 -2.463 1.00 0.00 N ATOM 1431 CA VAL A 99 10.900 -13.478 -2.123 1.00 0.00 C ATOM 1432 C VAL A 99 9.502 -13.049 -1.691 1.00 0.00 C ATOM 1433 O VAL A 99 8.566 -13.051 -2.491 1.00 0.00 O ATOM 1434 CB VAL A 99 11.349 -12.605 -3.310 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.313 -11.132 -2.933 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.740 -13.012 -3.773 1.00 0.00 C ATOM 0 H VAL A 99 10.300 -15.163 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 99 11.593 -13.335 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 99 10.656 -12.760 -4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.633 -10.531 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.297 -10.853 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.983 -10.955 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.042 -12.385 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.448 -12.887 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.728 -14.056 -4.086 1.00 0.00 H new ATOM 1446 N SER A 100 9.367 -12.680 -0.421 1.00 0.00 N ATOM 1447 CA SER A 100 8.082 -12.252 0.119 1.00 0.00 C ATOM 1448 C SER A 100 7.973 -10.730 0.117 1.00 0.00 C ATOM 1449 O SER A 100 8.381 -10.066 1.071 1.00 0.00 O ATOM 1450 CB SER A 100 7.898 -12.786 1.540 1.00 0.00 C ATOM 1451 OG SER A 100 8.064 -14.193 1.581 1.00 0.00 O ATOM 0 H SER A 100 10.132 -12.669 0.253 1.00 0.00 H new ATOM 0 HA SER A 100 7.295 -12.657 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.619 -12.312 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.905 -12.523 1.905 1.00 0.00 H new ATOM 0 HG SER A 100 7.943 -14.510 2.500 1.00 0.00 H new ATOM 1457 N LEU A 101 7.421 -10.184 -0.960 1.00 0.00 N ATOM 1458 CA LEU A 101 7.257 -8.740 -1.087 1.00 0.00 C ATOM 1459 C LEU A 101 5.914 -8.292 -0.520 1.00 0.00 C ATOM 1460 O LEU A 101 4.859 -8.623 -1.060 1.00 0.00 O ATOM 1461 CB LEU A 101 7.369 -8.321 -2.554 1.00 0.00 C ATOM 1462 CG LEU A 101 8.602 -8.826 -3.305 1.00 0.00 C ATOM 1463 CD1 LEU A 101 8.405 -8.692 -4.807 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.844 -8.070 -2.858 1.00 0.00 C ATOM 0 H LEU A 101 7.079 -10.719 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 101 8.051 -8.258 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.480 -8.670 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.360 -7.232 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 101 8.739 -9.882 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.293 -9.056 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.539 -9.279 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.242 -7.645 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.712 -8.442 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.716 -7.007 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.995 -8.219 -1.789 1.00 0.00 H new ATOM 1476 N ARG A 102 5.962 -7.535 0.572 1.00 0.00 N ATOM 1477 CA ARG A 102 4.749 -7.040 1.212 1.00 0.00 C ATOM 1478 C ARG A 102 4.325 -5.702 0.613 1.00 0.00 C ATOM 1479 O ARG A 102 4.866 -4.654 0.963 1.00 0.00 O ATOM 1480 CB ARG A 102 4.967 -6.890 2.719 1.00 0.00 C ATOM 1481 CG ARG A 102 3.677 -6.892 3.524 1.00 0.00 C ATOM 1482 CD ARG A 102 3.861 -6.212 4.871 1.00 0.00 C ATOM 1483 NE ARG A 102 2.682 -6.353 5.721 1.00 0.00 N ATOM 1484 CZ ARG A 102 2.445 -7.419 6.479 1.00 0.00 C ATOM 1485 NH1 ARG A 102 3.302 -8.430 6.492 1.00 0.00 N ATOM 1486 NH2 ARG A 102 1.350 -7.473 7.225 1.00 0.00 N ATOM 0 H ARG A 102 6.827 -7.251 1.031 1.00 0.00 H new ATOM 0 HA ARG A 102 3.954 -7.765 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.604 -7.702 3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.503 -5.960 2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.895 -6.382 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.343 -7.918 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.726 -6.639 5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.072 -5.154 4.717 1.00 0.00 H new ATOM 0 HE ARG A 102 2.003 -5.592 5.734 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.145 -8.391 5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.118 -9.247 7.074 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.689 -6.696 7.217 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.169 -8.291 7.806 1.00 0.00 H new ATOM 1500 N VAL A 103 3.353 -5.747 -0.293 1.00 0.00 N ATOM 1501 CA VAL A 103 2.855 -4.539 -0.940 1.00 0.00 C ATOM 1502 C VAL A 103 1.534 -4.091 -0.326 1.00 0.00 C ATOM 1503 O VAL A 103 0.940 -4.805 0.481 1.00 0.00 O ATOM 1504 CB VAL A 103 2.659 -4.753 -2.453 1.00 0.00 C ATOM 1505 CG1 VAL A 103 3.974 -5.140 -3.112 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.594 -5.809 -2.708 1.00 0.00 C ATOM 0 H VAL A 103 2.895 -6.607 -0.595 1.00 0.00 H new ATOM 0 HA VAL A 103 3.606 -3.764 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 103 2.321 -3.815 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.816 -5.287 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.705 -4.346 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.345 -6.065 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.469 -5.947 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.900 -6.751 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.649 -5.486 -2.271 1.00 0.00 H new ATOM 1516 N GLN A 104 1.079 -2.904 -0.715 1.00 0.00 N ATOM 1517 CA GLN A 104 -0.173 -2.360 -0.202 1.00 0.00 C ATOM 1518 C GLN A 104 -1.026 -1.797 -1.334 1.00 0.00 C ATOM 1519 O GLN A 104 -0.624 -0.856 -2.019 1.00 0.00 O ATOM 1520 CB GLN A 104 0.106 -1.270 0.833 1.00 0.00 C ATOM 1521 CG GLN A 104 -1.150 -0.701 1.472 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.874 0.536 2.304 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -1.236 1.649 1.921 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -0.229 0.348 3.449 1.00 0.00 N ATOM 0 H GLN A 104 1.559 -2.301 -1.383 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.724 -3.171 0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.748 -1.678 1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.659 -0.461 0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.871 -0.456 0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.609 -1.463 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.052 -0.592 3.727 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.015 1.144 4.050 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.206 -2.379 -1.525 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.116 -1.935 -2.575 1.00 0.00 C ATOM 1535 C HIS A 105 -3.945 -0.742 -2.106 1.00 0.00 C ATOM 1536 O HIS A 105 -4.900 -0.899 -1.346 1.00 0.00 O ATOM 1537 CB HIS A 105 -4.040 -3.078 -2.996 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.324 -4.375 -3.220 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.232 -4.497 -4.053 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.548 -5.609 -2.712 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -1.817 -5.752 -4.050 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.599 -6.447 -3.244 1.00 0.00 N ATOM 0 H HIS A 105 -2.554 -3.159 -0.967 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.519 -1.626 -3.433 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.801 -3.220 -2.229 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.559 -2.796 -3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.328 -5.884 -2.017 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.981 -6.143 -4.611 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -2.512 -7.444 -3.048 1.00 0.00 H new ATOM 1550 N ARG A 106 -3.571 0.448 -2.563 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.278 1.667 -2.189 1.00 0.00 C ATOM 1552 C ARG A 106 -5.433 1.941 -3.148 1.00 0.00 C ATOM 1553 O ARG A 106 -5.248 2.554 -4.200 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.317 2.857 -2.178 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.117 2.662 -1.265 1.00 0.00 C ATOM 1556 CD ARG A 106 -1.080 3.756 -1.467 1.00 0.00 C ATOM 1557 NE ARG A 106 -0.192 3.467 -2.589 1.00 0.00 N ATOM 1558 CZ ARG A 106 -0.435 3.852 -3.837 1.00 0.00 C ATOM 1559 NH1 ARG A 106 -1.534 4.537 -4.121 1.00 0.00 N ATOM 1560 NH2 ARG A 106 0.422 3.551 -4.804 1.00 0.00 N ATOM 0 H ARG A 106 -2.782 0.594 -3.193 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.685 1.528 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.965 3.038 -3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.860 3.749 -1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.446 2.658 -0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.664 1.690 -1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.585 4.707 -1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.490 3.869 -0.557 1.00 0.00 H new ATOM 0 HE ARG A 106 0.662 2.941 -2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.196 4.770 -3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.718 4.831 -5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.268 3.024 -4.590 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.235 3.847 -5.762 1.00 0.00 H new ATOM 1574 N LEU A 107 -6.624 1.484 -2.777 1.00 0.00 N ATOM 1575 CA LEU A 107 -7.810 1.679 -3.604 1.00 0.00 C ATOM 1576 C LEU A 107 -8.659 2.831 -3.075 1.00 0.00 C ATOM 1577 O LEU A 107 -8.814 2.995 -1.865 1.00 0.00 O ATOM 1578 CB LEU A 107 -8.642 0.396 -3.649 1.00 0.00 C ATOM 1579 CG LEU A 107 -8.052 -0.758 -4.460 1.00 0.00 C ATOM 1580 CD1 LEU A 107 -7.175 -1.635 -3.580 1.00 0.00 C ATOM 1581 CD2 LEU A 107 -9.160 -1.581 -5.101 1.00 0.00 C ATOM 0 H LEU A 107 -6.794 0.976 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.482 1.927 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.799 0.052 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.623 0.637 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.432 -0.340 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.764 -2.451 -4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.360 -1.039 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.772 -2.045 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.721 -2.398 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.806 -1.989 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.747 -0.946 -5.765 1.00 0.00 H new ATOM 1593 N GLN A 108 -9.206 3.624 -3.990 1.00 0.00 N ATOM 1594 CA GLN A 108 -10.041 4.760 -3.615 1.00 0.00 C ATOM 1595 C GLN A 108 -11.439 4.299 -3.214 1.00 0.00 C ATOM 1596 O GLN A 108 -11.988 3.367 -3.801 1.00 0.00 O ATOM 1597 CB GLN A 108 -10.132 5.757 -4.771 1.00 0.00 C ATOM 1598 CG GLN A 108 -10.947 5.250 -5.949 1.00 0.00 C ATOM 1599 CD GLN A 108 -10.594 5.949 -7.247 1.00 0.00 C ATOM 1600 OE1 GLN A 108 -11.281 6.879 -7.672 1.00 0.00 O ATOM 1601 NE2 GLN A 108 -9.518 5.505 -7.886 1.00 0.00 N ATOM 0 H GLN A 108 -9.087 3.502 -4.996 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.580 5.250 -2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -10.574 6.684 -4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.125 5.997 -5.113 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -10.786 4.178 -6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -12.007 5.393 -5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -8.977 4.732 -7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.232 5.937 -8.765 1.00 0.00 H new ATOM 1610 N VAL A 109 -12.009 4.959 -2.211 1.00 0.00 N ATOM 1611 CA VAL A 109 -13.343 4.618 -1.732 1.00 0.00 C ATOM 1612 C VAL A 109 -14.358 5.684 -2.129 1.00 0.00 C ATOM 1613 O VAL A 109 -14.080 6.880 -2.049 1.00 0.00 O ATOM 1614 CB VAL A 109 -13.364 4.449 -0.201 1.00 0.00 C ATOM 1615 CG1 VAL A 109 -14.761 4.084 0.277 1.00 0.00 C ATOM 1616 CG2 VAL A 109 -12.352 3.399 0.232 1.00 0.00 C ATOM 0 H VAL A 109 -11.568 5.733 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.614 3.671 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.087 5.399 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.756 3.969 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.459 4.874 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.071 3.147 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.380 3.292 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.597 2.444 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.353 3.707 -0.077 1.00 0.00 H new ATOM 1626 N GLN A 110 -15.537 5.241 -2.556 1.00 0.00 N ATOM 1627 CA GLN A 110 -16.594 6.158 -2.965 1.00 0.00 C ATOM 1628 C GLN A 110 -17.725 6.176 -1.942 1.00 0.00 C ATOM 1629 O GLN A 110 -18.880 5.911 -2.274 1.00 0.00 O ATOM 1630 CB GLN A 110 -17.139 5.761 -4.338 1.00 0.00 C ATOM 1631 CG GLN A 110 -16.159 6.004 -5.475 1.00 0.00 C ATOM 1632 CD GLN A 110 -16.853 6.266 -6.797 1.00 0.00 C ATOM 1633 OE1 GLN A 110 -17.353 5.344 -7.442 1.00 0.00 O ATOM 1634 NE2 GLN A 110 -16.886 7.528 -7.209 1.00 0.00 N ATOM 0 H GLN A 110 -15.783 4.254 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.168 7.159 -3.026 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -17.409 4.705 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -18.054 6.321 -4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.524 6.855 -5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.505 5.138 -5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.459 8.261 -6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.339 7.765 -8.092 1.00 0.00 H new ATOM 1643 N ASN A 111 -17.385 6.490 -0.696 1.00 0.00 N ATOM 1644 CA ASN A 111 -18.372 6.541 0.376 1.00 0.00 C ATOM 1645 C ASN A 111 -18.897 7.961 0.564 1.00 0.00 C ATOM 1646 O ASN A 111 -18.957 8.469 1.683 1.00 0.00 O ATOM 1647 CB ASN A 111 -17.762 6.033 1.684 1.00 0.00 C ATOM 1648 CG ASN A 111 -18.806 5.813 2.761 1.00 0.00 C ATOM 1649 OD1 ASN A 111 -19.936 6.290 2.654 1.00 0.00 O ATOM 1650 ND2 ASN A 111 -18.432 5.086 3.808 1.00 0.00 N ATOM 0 H ASN A 111 -16.433 6.713 -0.404 1.00 0.00 H new ATOM 0 HA ASN A 111 -19.207 5.897 0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -17.234 5.098 1.497 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -17.022 6.750 2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -19.092 4.904 4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -17.485 4.710 3.856 1.00 0.00 H new ATOM 1657 N GLY A 112 -19.277 8.597 -0.540 1.00 0.00 N ATOM 1658 CA GLY A 112 -19.792 9.953 -0.475 1.00 0.00 C ATOM 1659 C GLY A 112 -20.801 10.242 -1.569 1.00 0.00 C ATOM 1660 O GLY A 112 -22.012 10.146 -1.368 1.00 0.00 O ATOM 0 H GLY A 112 -19.238 8.198 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -20.258 10.115 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -18.964 10.657 -0.553 1.00 0.00 H new ATOM 1664 N PRO A 113 -20.301 10.607 -2.759 1.00 0.00 N ATOM 1665 CA PRO A 113 -21.150 10.921 -3.912 1.00 0.00 C ATOM 1666 C PRO A 113 -21.845 9.684 -4.473 1.00 0.00 C ATOM 1667 O PRO A 113 -21.218 8.855 -5.133 1.00 0.00 O ATOM 1668 CB PRO A 113 -20.164 11.490 -4.934 1.00 0.00 C ATOM 1669 CG PRO A 113 -18.850 10.894 -4.566 1.00 0.00 C ATOM 1670 CD PRO A 113 -18.868 10.742 -3.070 1.00 0.00 C ATOM 0 HA PRO A 113 -21.956 11.606 -3.650 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -20.449 11.222 -5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -20.131 12.579 -4.889 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -18.708 9.930 -5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -18.028 11.536 -4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -18.303 9.868 -2.748 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -18.428 11.607 -2.573 1.00 0.00 H new ATOM 1678 N ILE A 114 -23.142 9.568 -4.208 1.00 0.00 N ATOM 1679 CA ILE A 114 -23.920 8.434 -4.689 1.00 0.00 C ATOM 1680 C ILE A 114 -25.214 8.896 -5.352 1.00 0.00 C ATOM 1681 O ILE A 114 -25.806 9.897 -4.949 1.00 0.00 O ATOM 1682 CB ILE A 114 -24.262 7.461 -3.545 1.00 0.00 C ATOM 1683 CG1 ILE A 114 -25.057 8.181 -2.454 1.00 0.00 C ATOM 1684 CG2 ILE A 114 -22.992 6.853 -2.969 1.00 0.00 C ATOM 1685 CD1 ILE A 114 -25.739 7.242 -1.484 1.00 0.00 C ATOM 0 H ILE A 114 -23.676 10.245 -3.663 1.00 0.00 H new ATOM 0 HA ILE A 114 -23.303 7.917 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 114 -24.878 6.656 -3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -24.386 8.838 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -25.809 8.815 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -23.250 6.168 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -22.462 6.309 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -22.352 7.646 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -26.284 7.822 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -26.435 6.602 -2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -24.990 6.625 -0.988 1.00 0.00 H new ATOM 1697 N SER A 115 -25.647 8.159 -6.369 1.00 0.00 N ATOM 1698 CA SER A 115 -26.870 8.494 -7.089 1.00 0.00 C ATOM 1699 C SER A 115 -26.844 9.945 -7.558 1.00 0.00 C ATOM 1700 O SER A 115 -27.844 10.656 -7.471 1.00 0.00 O ATOM 1701 CB SER A 115 -28.092 8.255 -6.201 1.00 0.00 C ATOM 1702 OG SER A 115 -29.283 8.227 -6.969 1.00 0.00 O ATOM 0 H SER A 115 -25.169 7.326 -6.713 1.00 0.00 H new ATOM 0 HA SER A 115 -26.935 7.848 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 115 -27.978 7.312 -5.666 1.00 0.00 H new ATOM 0 HB3 SER A 115 -28.159 9.042 -5.449 1.00 0.00 H new ATOM 0 HG SER A 115 -29.341 9.040 -7.512 1.00 0.00 H new ATOM 1708 N GLY A 116 -25.690 10.379 -8.057 1.00 0.00 N ATOM 1709 CA GLY A 116 -25.553 11.743 -8.532 1.00 0.00 C ATOM 1710 C GLY A 116 -25.572 11.835 -10.045 1.00 0.00 C ATOM 1711 O GLY A 116 -26.624 11.988 -10.666 1.00 0.00 O ATOM 0 H GLY A 116 -24.848 9.810 -8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -26.362 12.349 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -24.620 12.163 -8.157 1.00 0.00 H new ATOM 1715 N PRO A 117 -24.385 11.741 -10.662 1.00 0.00 N ATOM 1716 CA PRO A 117 -24.242 11.813 -12.119 1.00 0.00 C ATOM 1717 C PRO A 117 -24.813 10.584 -12.819 1.00 0.00 C ATOM 1718 O PRO A 117 -24.955 9.523 -12.212 1.00 0.00 O ATOM 1719 CB PRO A 117 -22.727 11.890 -12.324 1.00 0.00 C ATOM 1720 CG PRO A 117 -22.148 11.243 -11.114 1.00 0.00 C ATOM 1721 CD PRO A 117 -23.090 11.558 -9.985 1.00 0.00 C ATOM 0 HA PRO A 117 -24.786 12.658 -12.540 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -22.424 11.372 -13.234 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -22.392 12.923 -12.419 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -22.054 10.166 -11.255 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -21.149 11.626 -10.907 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -23.129 10.748 -9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -22.787 12.457 -9.448 1.00 0.00 H new ATOM 1729 N SER A 118 -25.137 10.735 -14.099 1.00 0.00 N ATOM 1730 CA SER A 118 -25.696 9.637 -14.880 1.00 0.00 C ATOM 1731 C SER A 118 -24.790 9.293 -16.058 1.00 0.00 C ATOM 1732 O SER A 118 -24.424 8.135 -16.257 1.00 0.00 O ATOM 1733 CB SER A 118 -27.093 10.003 -15.386 1.00 0.00 C ATOM 1734 OG SER A 118 -28.057 9.879 -14.355 1.00 0.00 O ATOM 0 H SER A 118 -25.022 11.606 -14.617 1.00 0.00 H new ATOM 0 HA SER A 118 -25.769 8.763 -14.233 1.00 0.00 H new ATOM 0 HB2 SER A 118 -27.090 11.025 -15.764 1.00 0.00 H new ATOM 0 HB3 SER A 118 -27.362 9.355 -16.220 1.00 0.00 H new ATOM 0 HG SER A 118 -28.941 10.120 -14.703 1.00 0.00 H new ATOM 1740 N SER A 119 -24.432 10.309 -16.838 1.00 0.00 N ATOM 1741 CA SER A 119 -23.572 10.115 -17.999 1.00 0.00 C ATOM 1742 C SER A 119 -22.159 10.619 -17.719 1.00 0.00 C ATOM 1743 O SER A 119 -21.972 11.719 -17.203 1.00 0.00 O ATOM 1744 CB SER A 119 -24.152 10.838 -19.216 1.00 0.00 C ATOM 1745 OG SER A 119 -23.229 10.847 -20.292 1.00 0.00 O ATOM 0 H SER A 119 -24.724 11.274 -16.686 1.00 0.00 H new ATOM 0 HA SER A 119 -23.523 9.047 -18.209 1.00 0.00 H new ATOM 0 HB2 SER A 119 -25.074 10.348 -19.528 1.00 0.00 H new ATOM 0 HB3 SER A 119 -24.410 11.862 -18.946 1.00 0.00 H new ATOM 0 HG SER A 119 -23.624 11.313 -21.058 1.00 0.00 H new ATOM 1751 N GLY A 120 -21.167 9.803 -18.065 1.00 0.00 N ATOM 1752 CA GLY A 120 -19.784 10.182 -17.844 1.00 0.00 C ATOM 1753 C GLY A 120 -18.934 9.021 -17.368 1.00 0.00 C ATOM 1754 O GLY A 120 -19.334 8.275 -16.474 1.00 0.00 O ATOM 0 H GLY A 120 -21.297 8.887 -18.494 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -19.367 10.578 -18.770 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -19.744 10.984 -17.107 1.00 0.00 H new TER 1758 GLY A 120