USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 919 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 58 SER OG : rot 74:sc= 0.257 USER MOD Set 1.2: A 90 GLN :FLIP amide:sc= -0.433 F(o=-1.1,f=-0.18) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.796 K(o=1.7,f=-1.1) USER MOD Set 2.2: A 79 THR OG1 : rot -79:sc= 0.916 USER MOD Set 3.1: A 23 HIS :FLIP no HD1:sc= -12! C(o=-16!,f=-13!) USER MOD Set 3.2: A 41 THR OG1 : rot 120:sc= -0.732 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.11 (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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.189 F(o=-0.88,f=-0.19) USER MOD Single : A 19 HIS : no HD1:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0622 USER MOD Single : A 29 SER OG : rot -160:sc= -0.196 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 22:sc= 0.373 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.474 K(o=-0.47,f=-1.8!) USER MOD Single : A 48 SER OG : rot 160:sc= -1.31 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0599 USER MOD Single : A 57 MET CE :methyl 172:sc= -1.16! (180deg=-1.22!) USER MOD Single : A 60 ASN : amide:sc= -0.314 X(o=-0.31,f=0.0043) USER MOD Single : A 61 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.65) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -36:sc= 0.942 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 130:sc= -0.224 USER MOD Single : A 89 TYR OH : rot 80:sc= -0.703! USER MOD Single : A 94 CYS SG : rot -101:sc= 0.865 USER MOD Single : A 97 ASN : amide:sc= -8.43! C(o=-8.4!,f=-21!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.844 K(o=-0.84,f=-2.2!) USER MOD Single : A 105 SER OG : rot -71:sc= -0.586 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 150:sc= 0.567 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.441 -40.342 -19.948 1.00 0.00 N ATOM 2 CA GLY A 1 7.077 -39.504 -18.818 1.00 0.00 C ATOM 3 C GLY A 1 8.251 -39.351 -17.848 1.00 0.00 C ATOM 4 O GLY A 1 9.319 -39.921 -18.066 1.00 0.00 O ATOM 0 H1 GLY A 1 7.212 -39.848 -20.834 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.461 -40.543 -19.917 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.911 -41.235 -19.903 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.765 -38.522 -19.174 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.225 -39.940 -18.297 1.00 0.00 H new ATOM 8 N SER A 2 8.013 -38.580 -16.798 1.00 0.00 N ATOM 9 CA SER A 2 9.036 -38.346 -15.794 1.00 0.00 C ATOM 10 C SER A 2 8.468 -37.496 -14.655 1.00 0.00 C ATOM 11 O SER A 2 7.804 -36.490 -14.899 1.00 0.00 O ATOM 12 CB SER A 2 10.261 -37.663 -16.405 1.00 0.00 C ATOM 13 OG SER A 2 11.190 -37.241 -15.410 1.00 0.00 O ATOM 0 H SER A 2 7.126 -38.109 -16.621 1.00 0.00 H new ATOM 0 HA SER A 2 9.351 -39.311 -15.396 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.754 -38.350 -17.093 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.941 -36.801 -16.991 1.00 0.00 H new ATOM 0 HG SER A 2 11.958 -36.811 -15.841 1.00 0.00 H new ATOM 19 N SER A 3 8.750 -37.932 -13.436 1.00 0.00 N ATOM 20 CA SER A 3 8.276 -37.224 -12.260 1.00 0.00 C ATOM 21 C SER A 3 9.342 -36.239 -11.776 1.00 0.00 C ATOM 22 O SER A 3 10.489 -36.296 -12.216 1.00 0.00 O ATOM 23 CB SER A 3 7.908 -38.201 -11.140 1.00 0.00 C ATOM 24 OG SER A 3 9.050 -38.886 -10.634 1.00 0.00 O ATOM 0 H SER A 3 9.301 -38.767 -13.238 1.00 0.00 H new ATOM 0 HA SER A 3 7.377 -36.671 -12.533 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.422 -37.657 -10.330 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.186 -38.927 -11.514 1.00 0.00 H new ATOM 0 HG SER A 3 8.774 -39.498 -9.920 1.00 0.00 H new ATOM 30 N GLY A 4 8.925 -35.360 -10.877 1.00 0.00 N ATOM 31 CA GLY A 4 9.830 -34.364 -10.329 1.00 0.00 C ATOM 32 C GLY A 4 10.921 -35.021 -9.483 1.00 0.00 C ATOM 33 O GLY A 4 11.014 -36.247 -9.426 1.00 0.00 O ATOM 0 H GLY A 4 7.973 -35.317 -10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.286 -33.797 -11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.270 -33.655 -9.720 1.00 0.00 H new ATOM 37 N SER A 5 11.720 -34.178 -8.845 1.00 0.00 N ATOM 38 CA SER A 5 12.801 -34.662 -8.004 1.00 0.00 C ATOM 39 C SER A 5 13.122 -33.632 -6.920 1.00 0.00 C ATOM 40 O SER A 5 12.639 -32.502 -6.969 1.00 0.00 O ATOM 41 CB SER A 5 14.050 -34.966 -8.834 1.00 0.00 C ATOM 42 OG SER A 5 14.691 -33.777 -9.290 1.00 0.00 O ATOM 0 H SER A 5 11.640 -33.162 -8.894 1.00 0.00 H new ATOM 0 HA SER A 5 12.477 -35.589 -7.531 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.750 -35.548 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.775 -35.581 -9.691 1.00 0.00 H new ATOM 0 HG SER A 5 15.484 -34.014 -9.814 1.00 0.00 H new ATOM 48 N SER A 6 13.936 -34.058 -5.965 1.00 0.00 N ATOM 49 CA SER A 6 14.327 -33.187 -4.870 1.00 0.00 C ATOM 50 C SER A 6 15.586 -32.405 -5.248 1.00 0.00 C ATOM 51 O SER A 6 16.503 -32.955 -5.856 1.00 0.00 O ATOM 52 CB SER A 6 14.563 -33.986 -3.587 1.00 0.00 C ATOM 53 OG SER A 6 14.260 -33.226 -2.421 1.00 0.00 O ATOM 0 H SER A 6 14.336 -34.996 -5.927 1.00 0.00 H new ATOM 0 HA SER A 6 13.514 -32.486 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.949 -34.886 -3.603 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.603 -34.310 -3.548 1.00 0.00 H new ATOM 0 HG SER A 6 14.422 -33.772 -1.623 1.00 0.00 H new ATOM 59 N GLY A 7 15.591 -31.135 -4.871 1.00 0.00 N ATOM 60 CA GLY A 7 16.723 -30.272 -5.162 1.00 0.00 C ATOM 61 C GLY A 7 17.847 -30.479 -4.145 1.00 0.00 C ATOM 62 O GLY A 7 18.371 -31.583 -4.010 1.00 0.00 O ATOM 0 H GLY A 7 14.829 -30.683 -4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.094 -30.479 -6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.403 -29.230 -5.149 1.00 0.00 H new ATOM 66 N ARG A 8 18.183 -29.399 -3.455 1.00 0.00 N ATOM 67 CA ARG A 8 19.235 -29.449 -2.453 1.00 0.00 C ATOM 68 C ARG A 8 19.089 -28.284 -1.472 1.00 0.00 C ATOM 69 O ARG A 8 18.509 -27.253 -1.809 1.00 0.00 O ATOM 70 CB ARG A 8 20.618 -29.388 -3.104 1.00 0.00 C ATOM 71 CG ARG A 8 21.637 -30.200 -2.302 1.00 0.00 C ATOM 72 CD ARG A 8 23.056 -29.669 -2.520 1.00 0.00 C ATOM 73 NE ARG A 8 23.692 -30.375 -3.654 1.00 0.00 N ATOM 74 CZ ARG A 8 24.765 -29.920 -4.316 1.00 0.00 C ATOM 75 NH1 ARG A 8 25.327 -28.757 -3.961 1.00 0.00 N ATOM 76 NH2 ARG A 8 25.275 -30.628 -5.332 1.00 0.00 N ATOM 0 H ARG A 8 17.746 -28.485 -3.570 1.00 0.00 H new ATOM 0 HA ARG A 8 19.139 -30.394 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.562 -29.772 -4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.947 -28.351 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.388 -30.157 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 8 21.587 -31.248 -2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 8 23.026 -28.598 -2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 8 23.648 -29.809 -1.616 1.00 0.00 H new ATOM 0 HE ARG A 8 23.289 -31.264 -3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 8 24.938 -28.218 -3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 8 26.144 -28.410 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 8 24.847 -31.514 -5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 8 26.092 -30.282 -5.836 1.00 0.00 H new ATOM 90 N SER A 9 19.625 -28.487 -0.278 1.00 0.00 N ATOM 91 CA SER A 9 19.562 -27.466 0.754 1.00 0.00 C ATOM 92 C SER A 9 20.848 -26.637 0.750 1.00 0.00 C ATOM 93 O SER A 9 21.858 -27.055 0.186 1.00 0.00 O ATOM 94 CB SER A 9 19.337 -28.090 2.133 1.00 0.00 C ATOM 95 OG SER A 9 20.499 -28.764 2.610 1.00 0.00 O ATOM 0 H SER A 9 20.105 -29.344 -0.002 1.00 0.00 H new ATOM 0 HA SER A 9 18.716 -26.813 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 9 19.053 -27.312 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.506 -28.793 2.082 1.00 0.00 H new ATOM 0 HG SER A 9 20.316 -29.147 3.493 1.00 0.00 H new ATOM 101 N ALA A 10 20.769 -25.478 1.386 1.00 0.00 N ATOM 102 CA ALA A 10 21.914 -24.587 1.463 1.00 0.00 C ATOM 103 C ALA A 10 22.252 -24.323 2.932 1.00 0.00 C ATOM 104 O ALA A 10 21.365 -24.309 3.784 1.00 0.00 O ATOM 105 CB ALA A 10 21.612 -23.299 0.694 1.00 0.00 C ATOM 0 H ALA A 10 19.930 -25.135 1.853 1.00 0.00 H new ATOM 0 HA ALA A 10 22.788 -25.045 1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 10 22.471 -22.631 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 10 21.408 -23.538 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 10 20.742 -22.810 1.131 1.00 0.00 H new ATOM 111 N HIS A 11 23.537 -24.120 3.183 1.00 0.00 N ATOM 112 CA HIS A 11 24.003 -23.857 4.534 1.00 0.00 C ATOM 113 C HIS A 11 24.223 -22.354 4.718 1.00 0.00 C ATOM 114 O HIS A 11 23.585 -21.729 5.563 1.00 0.00 O ATOM 115 CB HIS A 11 25.252 -24.682 4.848 1.00 0.00 C ATOM 116 CG HIS A 11 25.191 -25.411 6.169 1.00 0.00 C ATOM 117 ND1 HIS A 11 24.428 -26.550 6.362 1.00 0.00 N ATOM 118 CD2 HIS A 11 25.806 -25.153 7.358 1.00 0.00 C ATOM 119 CE1 HIS A 11 24.584 -26.949 7.616 1.00 0.00 C ATOM 120 NE2 HIS A 11 25.438 -26.082 8.232 1.00 0.00 N ATOM 0 H HIS A 11 24.270 -24.132 2.474 1.00 0.00 H new ATOM 0 HA HIS A 11 23.243 -24.168 5.251 1.00 0.00 H new ATOM 0 HB2 HIS A 11 25.405 -25.409 4.050 1.00 0.00 H new ATOM 0 HB3 HIS A 11 26.120 -24.022 4.848 1.00 0.00 H new ATOM 0 HD2 HIS A 11 26.479 -24.332 7.556 1.00 0.00 H new ATOM 0 HE1 HIS A 11 24.117 -27.810 8.071 1.00 0.00 H new ATOM 0 HE2 HIS A 11 25.743 -26.138 9.204 1.00 0.00 H new ATOM 128 N LEU A 12 25.128 -21.818 3.912 1.00 0.00 N ATOM 129 CA LEU A 12 25.440 -20.401 3.975 1.00 0.00 C ATOM 130 C LEU A 12 24.163 -19.591 3.741 1.00 0.00 C ATOM 131 O LEU A 12 23.151 -20.134 3.301 1.00 0.00 O ATOM 132 CB LEU A 12 26.572 -20.058 3.005 1.00 0.00 C ATOM 133 CG LEU A 12 27.991 -20.155 3.570 1.00 0.00 C ATOM 134 CD1 LEU A 12 28.204 -19.142 4.696 1.00 0.00 C ATOM 135 CD2 LEU A 12 28.306 -21.584 4.017 1.00 0.00 C ATOM 0 H LEU A 12 25.655 -22.340 3.212 1.00 0.00 H new ATOM 0 HA LEU A 12 25.809 -20.136 4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 12 26.499 -20.721 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.416 -19.043 2.640 1.00 0.00 H new ATOM 0 HG LEU A 12 28.693 -19.904 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.220 -19.233 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 12 28.049 -18.134 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 12 27.494 -19.337 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.320 -21.626 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 12 27.600 -21.887 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 12 28.222 -22.259 3.165 1.00 0.00 H new ATOM 147 N ARG A 13 24.253 -18.304 4.044 1.00 0.00 N ATOM 148 CA ARG A 13 23.117 -17.414 3.872 1.00 0.00 C ATOM 149 C ARG A 13 22.721 -17.338 2.396 1.00 0.00 C ATOM 150 O ARG A 13 23.558 -17.061 1.538 1.00 0.00 O ATOM 151 CB ARG A 13 23.439 -16.007 4.380 1.00 0.00 C ATOM 152 CG ARG A 13 23.474 -15.971 5.909 1.00 0.00 C ATOM 153 CD ARG A 13 24.906 -15.807 6.421 1.00 0.00 C ATOM 154 NE ARG A 13 24.949 -14.785 7.489 1.00 0.00 N ATOM 155 CZ ARG A 13 24.559 -15.002 8.753 1.00 0.00 C ATOM 156 NH1 ARG A 13 24.096 -16.207 9.113 1.00 0.00 N ATOM 157 NH2 ARG A 13 24.632 -14.015 9.656 1.00 0.00 N ATOM 0 H ARG A 13 25.095 -17.857 4.407 1.00 0.00 H new ATOM 0 HA ARG A 13 22.288 -17.817 4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 13 24.402 -15.685 3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 13 22.691 -15.304 4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 13 22.858 -15.148 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 13 23.044 -16.890 6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 13 25.275 -16.759 6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 13 25.563 -15.516 5.601 1.00 0.00 H new ATOM 0 HE ARG A 13 25.297 -13.857 7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 13 24.041 -16.958 8.425 1.00 0.00 H new ATOM 0 HH12 ARG A 13 23.799 -16.373 10.075 1.00 0.00 H new ATOM 0 HH21 ARG A 13 24.984 -13.098 9.382 1.00 0.00 H new ATOM 0 HH22 ARG A 13 24.335 -14.181 10.618 1.00 0.00 H new ATOM 171 N VAL A 14 21.445 -17.590 2.145 1.00 0.00 N ATOM 172 CA VAL A 14 20.928 -17.554 0.788 1.00 0.00 C ATOM 173 C VAL A 14 20.071 -16.299 0.606 1.00 0.00 C ATOM 174 O VAL A 14 19.129 -16.072 1.364 1.00 0.00 O ATOM 175 CB VAL A 14 20.168 -18.846 0.482 1.00 0.00 C ATOM 176 CG1 VAL A 14 18.684 -18.705 0.831 1.00 0.00 C ATOM 177 CG2 VAL A 14 20.351 -19.257 -0.980 1.00 0.00 C ATOM 0 H VAL A 14 20.754 -17.820 2.859 1.00 0.00 H new ATOM 0 HA VAL A 14 21.746 -17.496 0.070 1.00 0.00 H new ATOM 0 HB VAL A 14 20.585 -19.636 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 14 18.167 -19.637 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 14 18.580 -18.481 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.248 -17.896 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 14 19.801 -20.178 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.973 -18.468 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 14 21.410 -19.418 -1.183 1.00 0.00 H new ATOM 187 N ARG A 15 20.429 -15.518 -0.402 1.00 0.00 N ATOM 188 CA ARG A 15 19.704 -14.292 -0.693 1.00 0.00 C ATOM 189 C ARG A 15 18.240 -14.603 -1.007 1.00 0.00 C ATOM 190 O ARG A 15 17.857 -14.692 -2.173 1.00 0.00 O ATOM 191 CB ARG A 15 20.328 -13.551 -1.878 1.00 0.00 C ATOM 192 CG ARG A 15 21.183 -12.376 -1.401 1.00 0.00 C ATOM 193 CD ARG A 15 21.662 -11.531 -2.584 1.00 0.00 C ATOM 194 NE ARG A 15 23.093 -11.797 -2.849 1.00 0.00 N ATOM 195 CZ ARG A 15 24.077 -11.557 -1.972 1.00 0.00 C ATOM 196 NH1 ARG A 15 23.790 -11.044 -0.767 1.00 0.00 N ATOM 197 NH2 ARG A 15 25.348 -11.829 -2.298 1.00 0.00 N ATOM 0 H ARG A 15 21.211 -15.710 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 15 19.762 -13.655 0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 15 20.941 -14.239 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 15 19.541 -13.188 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 15 20.605 -11.755 -0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 15 22.043 -12.749 -0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 15 21.070 -11.762 -3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 15 21.514 -10.473 -2.369 1.00 0.00 H new ATOM 0 HE ARG A 15 23.346 -12.188 -3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 15 22.823 -10.837 -0.518 1.00 0.00 H new ATOM 0 HH12 ARG A 15 24.539 -10.861 -0.099 1.00 0.00 H new ATOM 0 HH21 ARG A 15 25.567 -12.219 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 15 26.096 -11.646 -1.630 1.00 0.00 H new ATOM 211 N GLN A 16 17.460 -14.759 0.053 1.00 0.00 N ATOM 212 CA GLN A 16 16.046 -15.058 -0.096 1.00 0.00 C ATOM 213 C GLN A 16 15.228 -13.765 -0.100 1.00 0.00 C ATOM 214 O GLN A 16 15.541 -12.826 0.630 1.00 0.00 O ATOM 215 CB GLN A 16 15.568 -16.006 1.005 1.00 0.00 C ATOM 216 CG GLN A 16 14.195 -16.592 0.666 1.00 0.00 C ATOM 217 CD GLN A 16 14.266 -18.114 0.532 1.00 0.00 C ATOM 218 OE1 GLN A 16 15.366 -18.553 -0.074 1.00 0.00 O flip ATOM 219 NE2 GLN A 16 13.382 -18.842 0.952 1.00 0.00 N flip ATOM 0 H GLN A 16 17.781 -14.684 1.018 1.00 0.00 H new ATOM 0 HA GLN A 16 15.899 -15.561 -1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.290 -16.812 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 16 15.515 -15.471 1.953 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.480 -16.325 1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.830 -16.158 -0.265 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.563 -18.439 1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.462 -19.853 0.847 1.00 0.00 H new ATOM 228 N LEU A 17 14.195 -13.759 -0.930 1.00 0.00 N ATOM 229 CA LEU A 17 13.329 -12.597 -1.038 1.00 0.00 C ATOM 230 C LEU A 17 12.543 -12.429 0.263 1.00 0.00 C ATOM 231 O LEU A 17 12.224 -13.411 0.931 1.00 0.00 O ATOM 232 CB LEU A 17 12.445 -12.702 -2.282 1.00 0.00 C ATOM 233 CG LEU A 17 13.173 -12.961 -3.603 1.00 0.00 C ATOM 234 CD1 LEU A 17 14.553 -12.301 -3.607 1.00 0.00 C ATOM 235 CD2 LEU A 17 13.253 -14.460 -3.900 1.00 0.00 C ATOM 0 H LEU A 17 13.938 -14.540 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 17 13.921 -11.692 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.724 -13.504 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.877 -11.777 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 17 12.596 -12.504 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.049 -12.500 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.442 -11.225 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.153 -12.707 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.775 -14.617 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.795 -14.961 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.246 -14.871 -3.970 1.00 0.00 H new ATOM 247 N PRO A 18 12.245 -11.143 0.593 1.00 0.00 N ATOM 248 CA PRO A 18 11.501 -10.834 1.802 1.00 0.00 C ATOM 249 C PRO A 18 10.018 -11.172 1.636 1.00 0.00 C ATOM 250 O PRO A 18 9.444 -10.956 0.570 1.00 0.00 O ATOM 251 CB PRO A 18 11.749 -9.355 2.049 1.00 0.00 C ATOM 252 CG PRO A 18 12.236 -8.787 0.726 1.00 0.00 C ATOM 253 CD PRO A 18 12.606 -9.955 -0.174 1.00 0.00 C ATOM 0 HA PRO A 18 11.824 -11.427 2.657 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.837 -8.856 2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.492 -9.209 2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.459 -8.179 0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.098 -8.138 0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.064 -9.914 -1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.669 -9.948 -0.416 1.00 0.00 H new ATOM 261 N HIS A 19 9.441 -11.697 2.707 1.00 0.00 N ATOM 262 CA HIS A 19 8.036 -12.068 2.693 1.00 0.00 C ATOM 263 C HIS A 19 7.179 -10.820 2.466 1.00 0.00 C ATOM 264 O HIS A 19 7.552 -9.723 2.878 1.00 0.00 O ATOM 265 CB HIS A 19 7.660 -12.821 3.970 1.00 0.00 C ATOM 266 CG HIS A 19 8.239 -14.213 4.055 1.00 0.00 C ATOM 267 ND1 HIS A 19 8.272 -14.941 5.231 1.00 0.00 N ATOM 268 CD2 HIS A 19 8.807 -15.002 3.098 1.00 0.00 C ATOM 269 CE1 HIS A 19 8.836 -16.114 4.982 1.00 0.00 C ATOM 270 NE2 HIS A 19 9.168 -16.149 3.660 1.00 0.00 N ATOM 0 H HIS A 19 9.920 -11.874 3.590 1.00 0.00 H new ATOM 0 HA HIS A 19 7.845 -12.754 1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.997 -12.245 4.832 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.574 -12.886 4.035 1.00 0.00 H new ATOM 0 HD2 HIS A 19 8.940 -14.738 2.059 1.00 0.00 H new ATOM 0 HE1 HIS A 19 9.003 -16.903 5.700 1.00 0.00 H new ATOM 0 HE2 HIS A 19 9.620 -16.928 3.182 1.00 0.00 H new ATOM 278 N ALA A 20 6.046 -11.031 1.812 1.00 0.00 N ATOM 279 CA ALA A 20 5.133 -9.937 1.526 1.00 0.00 C ATOM 280 C ALA A 20 4.590 -9.374 2.841 1.00 0.00 C ATOM 281 O ALA A 20 4.716 -10.005 3.889 1.00 0.00 O ATOM 282 CB ALA A 20 4.019 -10.431 0.600 1.00 0.00 C ATOM 0 H ALA A 20 5.740 -11.943 1.472 1.00 0.00 H new ATOM 0 HA ALA A 20 5.652 -9.129 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.334 -9.611 0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.454 -10.794 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.474 -11.241 1.086 1.00 0.00 H new ATOM 288 N PRO A 21 3.983 -8.161 2.740 1.00 0.00 N ATOM 289 CA PRO A 21 3.421 -7.506 3.908 1.00 0.00 C ATOM 290 C PRO A 21 2.107 -8.168 4.329 1.00 0.00 C ATOM 291 O PRO A 21 1.294 -8.536 3.483 1.00 0.00 O ATOM 292 CB PRO A 21 3.250 -6.052 3.500 1.00 0.00 C ATOM 293 CG PRO A 21 3.284 -6.039 1.980 1.00 0.00 C ATOM 294 CD PRO A 21 3.816 -7.385 1.515 1.00 0.00 C ATOM 0 HA PRO A 21 4.063 -7.586 4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.308 -5.650 3.873 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.047 -5.434 3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.287 -5.863 1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.921 -5.231 1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.121 -7.871 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.762 -7.275 0.984 1.00 0.00 H new ATOM 302 N GLU A 22 1.940 -8.298 5.637 1.00 0.00 N ATOM 303 CA GLU A 22 0.739 -8.909 6.180 1.00 0.00 C ATOM 304 C GLU A 22 -0.257 -7.830 6.611 1.00 0.00 C ATOM 305 O GLU A 22 0.048 -6.640 6.552 1.00 0.00 O ATOM 306 CB GLU A 22 1.077 -9.841 7.346 1.00 0.00 C ATOM 307 CG GLU A 22 1.772 -11.110 6.850 1.00 0.00 C ATOM 308 CD GLU A 22 1.005 -12.361 7.283 1.00 0.00 C ATOM 309 OE1 GLU A 22 -0.234 -12.251 7.409 1.00 0.00 O ATOM 310 OE2 GLU A 22 1.674 -13.398 7.477 1.00 0.00 O ATOM 0 H GLU A 22 2.616 -7.991 6.336 1.00 0.00 H new ATOM 0 HA GLU A 22 0.276 -9.512 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.722 -9.323 8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.165 -10.107 7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.850 -11.085 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.789 -11.149 7.242 1.00 0.00 H new ATOM 317 N HIS A 23 -1.427 -8.285 7.036 1.00 0.00 N ATOM 318 CA HIS A 23 -2.469 -7.374 7.477 1.00 0.00 C ATOM 319 C HIS A 23 -2.422 -6.096 6.636 1.00 0.00 C ATOM 320 O HIS A 23 -2.319 -4.996 7.177 1.00 0.00 O ATOM 321 CB HIS A 23 -2.353 -7.101 8.978 1.00 0.00 C ATOM 322 CG HIS A 23 -1.626 -5.821 9.314 1.00 0.00 C ATOM 323 ND1 HIS A 23 -0.334 -5.444 9.092 1.00 0.00 N flip ATOM 324 CD2 HIS A 23 -2.237 -4.758 9.957 1.00 0.00 C flip ATOM 325 CE1 HIS A 23 -0.166 -4.218 9.572 1.00 0.00 C flip ATOM 326 NE2 HIS A 23 -1.344 -3.791 10.109 1.00 0.00 N flip ATOM 0 H HIS A 23 -1.676 -9.273 7.084 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.446 -7.832 7.325 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.354 -7.062 9.408 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.835 -7.936 9.450 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.267 -4.723 10.280 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.753 -3.652 9.542 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -1.509 -2.886 10.550 1.00 0.00 H new ATOM 334 N PRO A 24 -2.503 -6.289 5.292 1.00 0.00 N ATOM 335 CA PRO A 24 -2.471 -5.166 4.372 1.00 0.00 C ATOM 336 C PRO A 24 -3.803 -4.414 4.378 1.00 0.00 C ATOM 337 O PRO A 24 -4.626 -4.592 3.481 1.00 0.00 O ATOM 338 CB PRO A 24 -2.139 -5.774 3.019 1.00 0.00 C ATOM 339 CG PRO A 24 -2.455 -7.256 3.140 1.00 0.00 C ATOM 340 CD PRO A 24 -2.625 -7.577 4.616 1.00 0.00 C ATOM 0 HA PRO A 24 -1.730 -4.417 4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.729 -5.312 2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.090 -5.617 2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.364 -7.499 2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.652 -7.854 2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.594 -8.037 4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.864 -8.278 4.959 1.00 0.00 H new ATOM 348 N VAL A 25 -3.975 -3.588 5.400 1.00 0.00 N ATOM 349 CA VAL A 25 -5.194 -2.808 5.535 1.00 0.00 C ATOM 350 C VAL A 25 -4.969 -1.413 4.949 1.00 0.00 C ATOM 351 O VAL A 25 -3.900 -0.828 5.122 1.00 0.00 O ATOM 352 CB VAL A 25 -5.636 -2.777 7.000 1.00 0.00 C ATOM 353 CG1 VAL A 25 -6.947 -2.006 7.161 1.00 0.00 C ATOM 354 CG2 VAL A 25 -5.760 -4.194 7.565 1.00 0.00 C ATOM 0 H VAL A 25 -3.291 -3.442 6.142 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.007 -3.269 4.974 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.868 -2.255 7.571 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.238 -1.999 8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.811 -0.981 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.727 -2.487 6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.075 -4.144 8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.498 -4.752 6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.795 -4.697 7.502 1.00 0.00 H new ATOM 364 N ALA A 26 -5.993 -0.919 4.269 1.00 0.00 N ATOM 365 CA ALA A 26 -5.920 0.396 3.656 1.00 0.00 C ATOM 366 C ALA A 26 -7.136 1.221 4.084 1.00 0.00 C ATOM 367 O ALA A 26 -8.256 0.949 3.655 1.00 0.00 O ATOM 368 CB ALA A 26 -5.822 0.248 2.137 1.00 0.00 C ATOM 0 H ALA A 26 -6.878 -1.406 4.129 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.027 0.925 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.767 1.235 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.927 -0.320 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.702 -0.277 1.765 1.00 0.00 H new ATOM 374 N THR A 27 -6.873 2.211 4.924 1.00 0.00 N ATOM 375 CA THR A 27 -7.932 3.077 5.414 1.00 0.00 C ATOM 376 C THR A 27 -7.852 4.450 4.743 1.00 0.00 C ATOM 377 O THR A 27 -6.776 4.883 4.333 1.00 0.00 O ATOM 378 CB THR A 27 -7.824 3.140 6.939 1.00 0.00 C ATOM 379 OG1 THR A 27 -6.448 2.878 7.201 1.00 0.00 O ATOM 380 CG2 THR A 27 -8.560 1.987 7.626 1.00 0.00 C ATOM 0 H THR A 27 -5.942 2.433 5.278 1.00 0.00 H new ATOM 0 HA THR A 27 -8.915 2.682 5.159 1.00 0.00 H new ATOM 0 HB THR A 27 -8.226 4.090 7.292 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.289 2.901 8.168 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.452 2.079 8.707 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.617 2.022 7.363 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.136 1.038 7.298 1.00 0.00 H new ATOM 388 N LEU A 28 -9.005 5.096 4.651 1.00 0.00 N ATOM 389 CA LEU A 28 -9.079 6.411 4.036 1.00 0.00 C ATOM 390 C LEU A 28 -8.236 7.396 4.848 1.00 0.00 C ATOM 391 O LEU A 28 -7.620 7.019 5.843 1.00 0.00 O ATOM 392 CB LEU A 28 -10.538 6.842 3.869 1.00 0.00 C ATOM 393 CG LEU A 28 -11.085 6.816 2.440 1.00 0.00 C ATOM 394 CD1 LEU A 28 -12.543 7.279 2.403 1.00 0.00 C ATOM 395 CD2 LEU A 28 -10.199 7.635 1.499 1.00 0.00 C ATOM 0 H LEU A 28 -9.895 4.734 4.992 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.661 6.386 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.160 6.195 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.644 7.854 4.259 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.065 5.786 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.908 7.251 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.150 6.618 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.611 8.298 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.610 7.600 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.164 8.669 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.191 7.220 1.495 1.00 0.00 H new ATOM 407 N SER A 29 -8.235 8.640 4.391 1.00 0.00 N ATOM 408 CA SER A 29 -7.477 9.683 5.062 1.00 0.00 C ATOM 409 C SER A 29 -8.422 10.778 5.561 1.00 0.00 C ATOM 410 O SER A 29 -8.464 11.870 4.996 1.00 0.00 O ATOM 411 CB SER A 29 -6.418 10.279 4.132 1.00 0.00 C ATOM 412 OG SER A 29 -5.328 9.384 3.923 1.00 0.00 O ATOM 0 H SER A 29 -8.747 8.949 3.565 1.00 0.00 H new ATOM 0 HA SER A 29 -6.964 9.238 5.915 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.874 10.525 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.046 11.211 4.557 1.00 0.00 H new ATOM 0 HG SER A 29 -4.549 9.886 3.605 1.00 0.00 H new ATOM 418 N THR A 30 -9.156 10.448 6.613 1.00 0.00 N ATOM 419 CA THR A 30 -10.098 11.390 7.194 1.00 0.00 C ATOM 420 C THR A 30 -9.450 12.768 7.343 1.00 0.00 C ATOM 421 O THR A 30 -10.142 13.784 7.365 1.00 0.00 O ATOM 422 CB THR A 30 -10.595 10.806 8.517 1.00 0.00 C ATOM 423 OG1 THR A 30 -9.401 10.491 9.229 1.00 0.00 O ATOM 424 CG2 THR A 30 -11.288 9.454 8.337 1.00 0.00 C ATOM 0 H THR A 30 -9.118 9.541 7.079 1.00 0.00 H new ATOM 0 HA THR A 30 -10.960 11.539 6.544 1.00 0.00 H new ATOM 0 HB THR A 30 -11.284 11.508 8.986 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.632 10.108 10.101 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.621 9.084 9.307 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.148 9.571 7.678 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.589 8.742 7.898 1.00 0.00 H new ATOM 432 N VAL A 31 -8.129 12.758 7.442 1.00 0.00 N ATOM 433 CA VAL A 31 -7.380 13.994 7.589 1.00 0.00 C ATOM 434 C VAL A 31 -7.061 14.560 6.203 1.00 0.00 C ATOM 435 O VAL A 31 -7.482 15.666 5.868 1.00 0.00 O ATOM 436 CB VAL A 31 -6.130 13.751 8.437 1.00 0.00 C ATOM 437 CG1 VAL A 31 -4.902 14.409 7.805 1.00 0.00 C ATOM 438 CG2 VAL A 31 -6.337 14.241 9.872 1.00 0.00 C ATOM 0 H VAL A 31 -7.558 11.913 7.423 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.974 14.740 8.116 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.953 12.676 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.027 14.221 8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.737 13.992 6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.066 15.484 7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.434 14.056 10.453 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.551 15.310 9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.174 13.706 10.322 1.00 0.00 H new ATOM 448 N GLU A 32 -6.320 13.775 5.435 1.00 0.00 N ATOM 449 CA GLU A 32 -5.940 14.183 4.093 1.00 0.00 C ATOM 450 C GLU A 32 -7.035 13.807 3.093 1.00 0.00 C ATOM 451 O GLU A 32 -7.400 12.638 2.978 1.00 0.00 O ATOM 452 CB GLU A 32 -4.597 13.569 3.693 1.00 0.00 C ATOM 453 CG GLU A 32 -3.484 14.618 3.722 1.00 0.00 C ATOM 454 CD GLU A 32 -2.567 14.412 4.930 1.00 0.00 C ATOM 455 OE1 GLU A 32 -2.429 13.240 5.343 1.00 0.00 O ATOM 456 OE2 GLU A 32 -2.026 15.430 5.413 1.00 0.00 O ATOM 0 H GLU A 32 -5.972 12.858 5.716 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.824 15.267 4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.350 12.753 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.672 13.141 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.900 14.559 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.921 15.616 3.759 1.00 0.00 H new ATOM 463 N ARG A 33 -7.529 14.819 2.396 1.00 0.00 N ATOM 464 CA ARG A 33 -8.575 14.609 1.410 1.00 0.00 C ATOM 465 C ARG A 33 -8.031 13.817 0.219 1.00 0.00 C ATOM 466 O ARG A 33 -6.879 13.995 -0.175 1.00 0.00 O ATOM 467 CB ARG A 33 -9.139 15.942 0.912 1.00 0.00 C ATOM 468 CG ARG A 33 -10.295 16.413 1.797 1.00 0.00 C ATOM 469 CD ARG A 33 -11.537 15.545 1.584 1.00 0.00 C ATOM 470 NE ARG A 33 -12.604 15.948 2.526 1.00 0.00 N ATOM 471 CZ ARG A 33 -13.319 17.076 2.413 1.00 0.00 C ATOM 472 NH1 ARG A 33 -13.084 17.920 1.399 1.00 0.00 N ATOM 473 NH2 ARG A 33 -14.268 17.361 3.315 1.00 0.00 N ATOM 0 H ARG A 33 -7.224 15.787 2.495 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.375 14.046 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.351 16.695 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.484 15.834 -0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.995 16.374 2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.531 17.453 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.890 15.646 0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.287 14.495 1.733 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.808 15.329 3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.361 17.704 0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.628 18.778 1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.446 16.719 4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.812 18.219 3.229 1.00 0.00 H new ATOM 487 N ARG A 34 -8.884 12.960 -0.320 1.00 0.00 N ATOM 488 CA ARG A 34 -8.504 12.140 -1.458 1.00 0.00 C ATOM 489 C ARG A 34 -7.172 11.438 -1.184 1.00 0.00 C ATOM 490 O ARG A 34 -6.262 11.481 -2.011 1.00 0.00 O ATOM 491 CB ARG A 34 -8.375 12.985 -2.727 1.00 0.00 C ATOM 492 CG ARG A 34 -9.532 12.708 -3.689 1.00 0.00 C ATOM 493 CD ARG A 34 -9.851 13.943 -4.535 1.00 0.00 C ATOM 494 NE ARG A 34 -8.596 14.590 -4.977 1.00 0.00 N ATOM 495 CZ ARG A 34 -8.532 15.535 -5.925 1.00 0.00 C ATOM 496 NH1 ARG A 34 -9.651 15.949 -6.535 1.00 0.00 N ATOM 497 NH2 ARG A 34 -7.349 16.067 -6.262 1.00 0.00 N ATOM 0 H ARG A 34 -9.838 12.815 0.010 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.287 11.397 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.361 14.043 -2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.427 12.766 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.275 11.873 -4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.416 12.412 -3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.447 13.657 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.448 14.647 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.725 14.299 -4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.551 15.545 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.602 16.668 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.497 15.753 -5.797 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.300 16.786 -6.984 1.00 0.00 H new ATOM 511 N ALA A 35 -7.100 10.808 -0.021 1.00 0.00 N ATOM 512 CA ALA A 35 -5.894 10.098 0.372 1.00 0.00 C ATOM 513 C ALA A 35 -6.280 8.848 1.165 1.00 0.00 C ATOM 514 O ALA A 35 -7.297 8.836 1.857 1.00 0.00 O ATOM 515 CB ALA A 35 -4.986 11.036 1.169 1.00 0.00 C ATOM 0 H ALA A 35 -7.857 10.774 0.662 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.336 9.773 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.082 10.504 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.717 11.894 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.511 11.380 2.060 1.00 0.00 H new ATOM 521 N ILE A 36 -5.448 7.825 1.038 1.00 0.00 N ATOM 522 CA ILE A 36 -5.689 6.573 1.734 1.00 0.00 C ATOM 523 C ILE A 36 -4.441 6.189 2.532 1.00 0.00 C ATOM 524 O ILE A 36 -3.350 6.087 1.973 1.00 0.00 O ATOM 525 CB ILE A 36 -6.146 5.493 0.752 1.00 0.00 C ATOM 526 CG1 ILE A 36 -7.312 5.990 -0.105 1.00 0.00 C ATOM 527 CG2 ILE A 36 -6.486 4.194 1.484 1.00 0.00 C ATOM 528 CD1 ILE A 36 -7.541 5.071 -1.307 1.00 0.00 C ATOM 0 H ILE A 36 -4.606 7.838 0.463 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.503 6.686 2.449 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.319 5.274 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.218 6.037 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.107 7.003 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.808 3.443 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.604 3.833 2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.288 4.378 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.375 5.447 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.642 5.046 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.769 4.064 -0.957 1.00 0.00 H new ATOM 540 N ASN A 37 -4.643 5.988 3.826 1.00 0.00 N ATOM 541 CA ASN A 37 -3.548 5.618 4.706 1.00 0.00 C ATOM 542 C ASN A 37 -3.330 4.105 4.634 1.00 0.00 C ATOM 543 O ASN A 37 -4.128 3.334 5.164 1.00 0.00 O ATOM 544 CB ASN A 37 -3.861 5.982 6.158 1.00 0.00 C ATOM 545 CG ASN A 37 -3.114 7.249 6.580 1.00 0.00 C ATOM 546 OD1 ASN A 37 -1.904 7.354 6.465 1.00 0.00 O ATOM 547 ND2 ASN A 37 -3.899 8.201 7.073 1.00 0.00 N ATOM 0 H ASN A 37 -5.549 6.074 4.286 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.658 6.159 4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.934 6.132 6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.581 5.156 6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.496 9.085 7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.905 8.048 7.142 1.00 0.00 H new ATOM 554 N LEU A 38 -2.245 3.726 3.974 1.00 0.00 N ATOM 555 CA LEU A 38 -1.913 2.320 3.826 1.00 0.00 C ATOM 556 C LEU A 38 -1.139 1.850 5.060 1.00 0.00 C ATOM 557 O LEU A 38 -0.200 2.514 5.498 1.00 0.00 O ATOM 558 CB LEU A 38 -1.173 2.080 2.508 1.00 0.00 C ATOM 559 CG LEU A 38 -1.513 0.780 1.776 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.788 -0.411 2.408 1.00 0.00 C ATOM 561 CD2 LEU A 38 -3.026 0.563 1.715 1.00 0.00 C ATOM 0 H LEU A 38 -1.585 4.369 3.536 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.820 1.718 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.381 2.915 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.102 2.092 2.708 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.159 0.865 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.047 -1.322 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.289 -0.251 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.089 -0.508 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.239 -0.368 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.427 0.508 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.492 1.394 1.185 1.00 0.00 H new ATOM 573 N THR A 39 -1.561 0.710 5.585 1.00 0.00 N ATOM 574 CA THR A 39 -0.919 0.144 6.760 1.00 0.00 C ATOM 575 C THR A 39 -0.727 -1.364 6.588 1.00 0.00 C ATOM 576 O THR A 39 -1.656 -2.072 6.202 1.00 0.00 O ATOM 577 CB THR A 39 -1.761 0.514 7.983 1.00 0.00 C ATOM 578 OG1 THR A 39 -3.053 -0.009 7.686 1.00 0.00 O ATOM 579 CG2 THR A 39 -1.988 2.023 8.103 1.00 0.00 C ATOM 0 H THR A 39 -2.340 0.162 5.219 1.00 0.00 H new ATOM 0 HA THR A 39 0.081 0.553 6.900 1.00 0.00 H new ATOM 0 HB THR A 39 -1.271 0.148 8.885 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.972 -0.720 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.591 2.231 8.987 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.027 2.530 8.192 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.508 2.384 7.216 1.00 0.00 H new ATOM 587 N TRP A 40 0.484 -1.811 6.884 1.00 0.00 N ATOM 588 CA TRP A 40 0.810 -3.223 6.768 1.00 0.00 C ATOM 589 C TRP A 40 1.813 -3.569 7.870 1.00 0.00 C ATOM 590 O TRP A 40 2.196 -2.706 8.659 1.00 0.00 O ATOM 591 CB TRP A 40 1.325 -3.552 5.366 1.00 0.00 C ATOM 592 CG TRP A 40 2.642 -2.859 5.008 1.00 0.00 C ATOM 593 CD1 TRP A 40 3.887 -3.334 5.144 1.00 0.00 C ATOM 594 CD2 TRP A 40 2.793 -1.539 4.445 1.00 0.00 C ATOM 595 NE1 TRP A 40 4.827 -2.420 4.712 1.00 0.00 N ATOM 596 CE2 TRP A 40 4.140 -1.294 4.273 1.00 0.00 C ATOM 597 CE3 TRP A 40 1.824 -0.584 4.093 1.00 0.00 C ATOM 598 CZ2 TRP A 40 4.640 -0.098 3.745 1.00 0.00 C ATOM 599 CZ3 TRP A 40 2.340 0.607 3.566 1.00 0.00 C ATOM 600 CH2 TRP A 40 3.693 0.869 3.387 1.00 0.00 C ATOM 0 H TRP A 40 1.252 -1.221 7.204 1.00 0.00 H new ATOM 0 HA TRP A 40 -0.080 -3.837 6.903 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.460 -4.630 5.283 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.567 -3.269 4.636 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.125 -4.309 5.542 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.839 -2.547 4.714 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.765 -0.755 4.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.700 0.070 3.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.637 1.375 3.279 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.012 1.814 2.974 1.00 0.00 H new ATOM 611 N THR A 41 2.209 -4.833 7.890 1.00 0.00 N ATOM 612 CA THR A 41 3.160 -5.304 8.882 1.00 0.00 C ATOM 613 C THR A 41 4.508 -5.609 8.227 1.00 0.00 C ATOM 614 O THR A 41 4.570 -5.903 7.034 1.00 0.00 O ATOM 615 CB THR A 41 2.543 -6.511 9.593 1.00 0.00 C ATOM 616 OG1 THR A 41 1.680 -5.935 10.569 1.00 0.00 O ATOM 617 CG2 THR A 41 3.569 -7.292 10.417 1.00 0.00 C ATOM 0 H THR A 41 1.888 -5.546 7.235 1.00 0.00 H new ATOM 0 HA THR A 41 3.364 -4.537 9.629 1.00 0.00 H new ATOM 0 HB THR A 41 2.089 -7.174 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.760 -6.234 10.410 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.080 -8.138 10.901 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.360 -7.657 9.762 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.999 -6.639 11.176 1.00 0.00 H new ATOM 625 N LYS A 42 5.555 -5.527 9.035 1.00 0.00 N ATOM 626 CA LYS A 42 6.899 -5.790 8.549 1.00 0.00 C ATOM 627 C LYS A 42 7.133 -7.301 8.503 1.00 0.00 C ATOM 628 O LYS A 42 7.173 -7.958 9.542 1.00 0.00 O ATOM 629 CB LYS A 42 7.930 -5.032 9.387 1.00 0.00 C ATOM 630 CG LYS A 42 9.270 -4.939 8.655 1.00 0.00 C ATOM 631 CD LYS A 42 10.261 -5.975 9.189 1.00 0.00 C ATOM 632 CE LYS A 42 11.484 -6.086 8.278 1.00 0.00 C ATOM 633 NZ LYS A 42 12.410 -7.127 8.777 1.00 0.00 N ATOM 0 H LYS A 42 5.500 -5.282 10.024 1.00 0.00 H new ATOM 0 HA LYS A 42 7.016 -5.418 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.561 -4.030 9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.068 -5.536 10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.116 -5.094 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.685 -3.938 8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.577 -5.697 10.195 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.771 -6.946 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.168 -6.328 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.998 -5.126 8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.235 -7.189 8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.725 -6.880 9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.921 -8.045 8.799 1.00 0.00 H new ATOM 647 N PRO A 43 7.287 -7.822 7.256 1.00 0.00 N ATOM 648 CA PRO A 43 7.516 -9.243 7.062 1.00 0.00 C ATOM 649 C PRO A 43 8.951 -9.623 7.435 1.00 0.00 C ATOM 650 O PRO A 43 9.762 -8.756 7.756 1.00 0.00 O ATOM 651 CB PRO A 43 7.196 -9.497 5.598 1.00 0.00 C ATOM 652 CG PRO A 43 7.249 -8.138 4.918 1.00 0.00 C ATOM 653 CD PRO A 43 7.246 -7.074 6.003 1.00 0.00 C ATOM 0 HA PRO A 43 6.891 -9.862 7.706 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.916 -10.184 5.154 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.212 -9.951 5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.145 -8.054 4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.394 -8.009 4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.106 -6.411 5.910 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.354 -6.450 5.943 1.00 0.00 H new ATOM 661 N PHE A 44 9.219 -10.919 7.380 1.00 0.00 N ATOM 662 CA PHE A 44 10.541 -11.424 7.707 1.00 0.00 C ATOM 663 C PHE A 44 11.494 -11.278 6.519 1.00 0.00 C ATOM 664 O PHE A 44 11.175 -11.695 5.407 1.00 0.00 O ATOM 665 CB PHE A 44 10.383 -12.910 8.039 1.00 0.00 C ATOM 666 CG PHE A 44 11.708 -13.668 8.143 1.00 0.00 C ATOM 667 CD1 PHE A 44 12.438 -13.919 7.023 1.00 0.00 C ATOM 668 CD2 PHE A 44 12.155 -14.092 9.355 1.00 0.00 C ATOM 669 CE1 PHE A 44 13.667 -14.623 7.120 1.00 0.00 C ATOM 670 CE2 PHE A 44 13.384 -14.796 9.452 1.00 0.00 C ATOM 671 CZ PHE A 44 14.114 -15.047 8.333 1.00 0.00 C ATOM 0 H PHE A 44 8.543 -11.635 7.114 1.00 0.00 H new ATOM 0 HA PHE A 44 10.957 -10.862 8.543 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.846 -13.006 8.983 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.767 -13.380 7.272 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.083 -13.583 6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.575 -13.893 10.244 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.247 -14.822 6.231 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.739 -15.132 10.415 1.00 0.00 H new ATOM 0 HZ PHE A 44 15.049 -15.583 8.407 1.00 0.00 H new ATOM 681 N ASP A 45 12.646 -10.683 6.795 1.00 0.00 N ATOM 682 CA ASP A 45 13.647 -10.476 5.763 1.00 0.00 C ATOM 683 C ASP A 45 14.351 -11.802 5.468 1.00 0.00 C ATOM 684 O ASP A 45 14.835 -12.469 6.381 1.00 0.00 O ATOM 685 CB ASP A 45 14.706 -9.470 6.218 1.00 0.00 C ATOM 686 CG ASP A 45 15.782 -10.038 7.145 1.00 0.00 C ATOM 687 OD1 ASP A 45 15.511 -10.091 8.364 1.00 0.00 O ATOM 688 OD2 ASP A 45 16.852 -10.406 6.614 1.00 0.00 O ATOM 0 H ASP A 45 12.908 -10.338 7.719 1.00 0.00 H new ATOM 0 HA ASP A 45 13.143 -10.093 4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.191 -9.052 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.207 -8.646 6.728 1.00 0.00 H new ATOM 693 N GLY A 46 14.385 -12.145 4.189 1.00 0.00 N ATOM 694 CA GLY A 46 15.021 -13.380 3.762 1.00 0.00 C ATOM 695 C GLY A 46 16.381 -13.558 4.439 1.00 0.00 C ATOM 696 O GLY A 46 16.516 -14.350 5.371 1.00 0.00 O ATOM 0 H GLY A 46 13.982 -11.589 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.378 -14.227 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.148 -13.373 2.679 1.00 0.00 H new ATOM 700 N ASN A 47 17.356 -12.810 3.944 1.00 0.00 N ATOM 701 CA ASN A 47 18.701 -12.875 4.489 1.00 0.00 C ATOM 702 C ASN A 47 19.429 -11.561 4.198 1.00 0.00 C ATOM 703 O ASN A 47 20.658 -11.527 4.145 1.00 0.00 O ATOM 704 CB ASN A 47 19.500 -14.011 3.848 1.00 0.00 C ATOM 705 CG ASN A 47 19.370 -15.300 4.661 1.00 0.00 C ATOM 706 OD1 ASN A 47 19.243 -15.290 5.874 1.00 0.00 O ATOM 707 ND2 ASN A 47 19.407 -16.409 3.927 1.00 0.00 N ATOM 0 H ASN A 47 17.241 -12.155 3.171 1.00 0.00 H new ATOM 0 HA ASN A 47 18.622 -13.050 5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.146 -14.181 2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.550 -13.727 3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 47 19.327 -17.321 4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 47 19.516 -16.347 2.915 1.00 0.00 H new ATOM 714 N SER A 48 18.640 -10.512 4.016 1.00 0.00 N ATOM 715 CA SER A 48 19.195 -9.200 3.731 1.00 0.00 C ATOM 716 C SER A 48 18.234 -8.110 4.211 1.00 0.00 C ATOM 717 O SER A 48 17.053 -8.374 4.435 1.00 0.00 O ATOM 718 CB SER A 48 19.481 -9.035 2.237 1.00 0.00 C ATOM 719 OG SER A 48 20.771 -8.478 1.999 1.00 0.00 O ATOM 0 H SER A 48 17.621 -10.544 4.060 1.00 0.00 H new ATOM 0 HA SER A 48 20.140 -9.105 4.267 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.408 -10.005 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.721 -8.393 1.791 1.00 0.00 H new ATOM 0 HG SER A 48 21.049 -8.678 1.081 1.00 0.00 H new ATOM 725 N PRO A 49 18.789 -6.878 4.359 1.00 0.00 N ATOM 726 CA PRO A 49 17.994 -5.748 4.808 1.00 0.00 C ATOM 727 C PRO A 49 17.082 -5.240 3.690 1.00 0.00 C ATOM 728 O PRO A 49 17.380 -5.421 2.510 1.00 0.00 O ATOM 729 CB PRO A 49 19.007 -4.711 5.264 1.00 0.00 C ATOM 730 CG PRO A 49 20.328 -5.109 4.626 1.00 0.00 C ATOM 731 CD PRO A 49 20.184 -6.529 4.103 1.00 0.00 C ATOM 0 HA PRO A 49 17.316 -6.008 5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.709 -3.710 4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.087 -4.695 6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.581 -4.427 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.137 -5.051 5.355 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.418 -6.585 3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.863 -7.211 4.615 1.00 0.00 H new ATOM 739 N LEU A 50 15.988 -4.615 4.100 1.00 0.00 N ATOM 740 CA LEU A 50 15.030 -4.080 3.147 1.00 0.00 C ATOM 741 C LEU A 50 15.638 -2.863 2.448 1.00 0.00 C ATOM 742 O LEU A 50 16.473 -2.166 3.022 1.00 0.00 O ATOM 743 CB LEU A 50 13.695 -3.790 3.836 1.00 0.00 C ATOM 744 CG LEU A 50 12.954 -5.004 4.402 1.00 0.00 C ATOM 745 CD1 LEU A 50 11.683 -4.576 5.138 1.00 0.00 C ATOM 746 CD2 LEU A 50 12.663 -6.029 3.304 1.00 0.00 C ATOM 0 H LEU A 50 15.744 -4.467 5.079 1.00 0.00 H new ATOM 0 HA LEU A 50 14.810 -4.816 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.874 -3.087 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.041 -3.291 3.121 1.00 0.00 H new ATOM 0 HG LEU A 50 13.601 -5.490 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.175 -5.457 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.946 -3.912 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.021 -4.054 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.136 -6.882 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.044 -5.570 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.601 -6.366 2.863 1.00 0.00 H new ATOM 758 N ILE A 51 15.196 -2.645 1.218 1.00 0.00 N ATOM 759 CA ILE A 51 15.686 -1.524 0.434 1.00 0.00 C ATOM 760 C ILE A 51 14.531 -0.562 0.151 1.00 0.00 C ATOM 761 O ILE A 51 14.561 0.592 0.577 1.00 0.00 O ATOM 762 CB ILE A 51 16.396 -2.022 -0.827 1.00 0.00 C ATOM 763 CG1 ILE A 51 17.762 -2.620 -0.487 1.00 0.00 C ATOM 764 CG2 ILE A 51 16.500 -0.910 -1.872 1.00 0.00 C ATOM 765 CD1 ILE A 51 18.474 -3.112 -1.749 1.00 0.00 C ATOM 0 H ILE A 51 14.504 -3.226 0.745 1.00 0.00 H new ATOM 0 HA ILE A 51 16.436 -0.966 0.994 1.00 0.00 H new ATOM 0 HB ILE A 51 15.796 -2.820 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.376 -1.871 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.637 -3.448 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.008 -1.290 -2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.500 -0.572 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 51 17.066 -0.075 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.443 -3.533 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.868 -3.878 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.619 -2.277 -2.434 1.00 0.00 H new ATOM 777 N ARG A 52 13.541 -1.071 -0.567 1.00 0.00 N ATOM 778 CA ARG A 52 12.378 -0.271 -0.912 1.00 0.00 C ATOM 779 C ARG A 52 11.155 -1.169 -1.107 1.00 0.00 C ATOM 780 O ARG A 52 11.263 -2.393 -1.046 1.00 0.00 O ATOM 781 CB ARG A 52 12.622 0.531 -2.192 1.00 0.00 C ATOM 782 CG ARG A 52 12.517 -0.364 -3.429 1.00 0.00 C ATOM 783 CD ARG A 52 12.785 0.433 -4.707 1.00 0.00 C ATOM 784 NE ARG A 52 14.240 0.492 -4.971 1.00 0.00 N ATOM 785 CZ ARG A 52 14.778 0.895 -6.130 1.00 0.00 C ATOM 786 NH1 ARG A 52 13.984 1.277 -7.140 1.00 0.00 N ATOM 787 NH2 ARG A 52 16.110 0.916 -6.279 1.00 0.00 N ATOM 0 H ARG A 52 13.520 -2.028 -0.920 1.00 0.00 H new ATOM 0 HA ARG A 52 12.197 0.422 -0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.896 1.341 -2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.609 0.991 -2.154 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.231 -1.184 -3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.524 -0.810 -3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.273 -0.032 -5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.384 1.442 -4.607 1.00 0.00 H new ATOM 0 HE ARG A 52 14.873 0.208 -4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.971 1.261 -7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.393 1.584 -8.022 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.714 0.625 -5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.520 1.223 -7.161 1.00 0.00 H new ATOM 801 N TYR A 53 10.019 -0.526 -1.336 1.00 0.00 N ATOM 802 CA TYR A 53 8.776 -1.251 -1.539 1.00 0.00 C ATOM 803 C TYR A 53 7.976 -0.653 -2.698 1.00 0.00 C ATOM 804 O TYR A 53 7.685 0.542 -2.705 1.00 0.00 O ATOM 805 CB TYR A 53 7.976 -1.088 -0.245 1.00 0.00 C ATOM 806 CG TYR A 53 8.239 -2.182 0.791 1.00 0.00 C ATOM 807 CD1 TYR A 53 9.439 -2.216 1.470 1.00 0.00 C ATOM 808 CD2 TYR A 53 7.274 -3.136 1.047 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.686 -3.246 2.446 1.00 0.00 C ATOM 810 CE2 TYR A 53 7.521 -4.166 2.022 1.00 0.00 C ATOM 811 CZ TYR A 53 8.715 -4.170 2.673 1.00 0.00 C ATOM 812 OH TYR A 53 8.948 -5.143 3.595 1.00 0.00 O ATOM 0 H TYR A 53 9.933 0.489 -1.385 1.00 0.00 H new ATOM 0 HA TYR A 53 8.976 -2.296 -1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.212 -0.120 0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.913 -1.078 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.194 -1.470 1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.334 -3.109 0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.621 -3.283 2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.775 -4.918 2.232 1.00 0.00 H new ATOM 0 HH TYR A 53 8.167 -5.732 3.653 1.00 0.00 H new ATOM 822 N ILE A 54 7.644 -1.512 -3.651 1.00 0.00 N ATOM 823 CA ILE A 54 6.884 -1.084 -4.813 1.00 0.00 C ATOM 824 C ILE A 54 5.391 -1.273 -4.537 1.00 0.00 C ATOM 825 O ILE A 54 4.883 -2.392 -4.587 1.00 0.00 O ATOM 826 CB ILE A 54 7.373 -1.807 -6.069 1.00 0.00 C ATOM 827 CG1 ILE A 54 8.902 -1.875 -6.102 1.00 0.00 C ATOM 828 CG2 ILE A 54 6.801 -1.159 -7.332 1.00 0.00 C ATOM 829 CD1 ILE A 54 9.383 -2.884 -7.147 1.00 0.00 C ATOM 0 H ILE A 54 7.888 -2.502 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 54 7.043 -0.022 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 54 7.005 -2.833 -6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.309 -0.889 -6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.278 -2.157 -5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.164 -1.692 -8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.712 -1.205 -7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.119 -0.118 -7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.473 -2.913 -7.150 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.994 -3.873 -6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.025 -2.586 -8.132 1.00 0.00 H new ATOM 841 N LEU A 55 4.729 -0.161 -4.252 1.00 0.00 N ATOM 842 CA LEU A 55 3.304 -0.190 -3.969 1.00 0.00 C ATOM 843 C LEU A 55 2.526 0.046 -5.265 1.00 0.00 C ATOM 844 O LEU A 55 2.602 1.125 -5.851 1.00 0.00 O ATOM 845 CB LEU A 55 2.959 0.801 -2.855 1.00 0.00 C ATOM 846 CG LEU A 55 1.469 1.054 -2.620 1.00 0.00 C ATOM 847 CD1 LEU A 55 0.944 2.145 -3.556 1.00 0.00 C ATOM 848 CD2 LEU A 55 0.666 -0.243 -2.745 1.00 0.00 C ATOM 0 H LEU A 55 5.153 0.766 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 55 3.010 -1.170 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.397 0.438 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.438 1.754 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 55 1.341 1.415 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.118 2.305 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.488 3.072 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.087 1.836 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.390 -0.035 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.797 -0.657 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.019 -0.962 -2.006 1.00 0.00 H new ATOM 860 N GLU A 56 1.795 -0.980 -5.674 1.00 0.00 N ATOM 861 CA GLU A 56 1.004 -0.898 -6.890 1.00 0.00 C ATOM 862 C GLU A 56 -0.470 -0.666 -6.549 1.00 0.00 C ATOM 863 O GLU A 56 -1.059 -1.424 -5.780 1.00 0.00 O ATOM 864 CB GLU A 56 1.178 -2.155 -7.744 1.00 0.00 C ATOM 865 CG GLU A 56 2.238 -1.941 -8.825 1.00 0.00 C ATOM 866 CD GLU A 56 3.612 -1.681 -8.203 1.00 0.00 C ATOM 867 OE1 GLU A 56 3.714 -0.690 -7.449 1.00 0.00 O ATOM 868 OE2 GLU A 56 4.528 -2.479 -8.496 1.00 0.00 O ATOM 0 H GLU A 56 1.734 -1.873 -5.185 1.00 0.00 H new ATOM 0 HA GLU A 56 1.360 -0.050 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.465 -2.993 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.228 -2.418 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.287 -2.818 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.955 -1.098 -9.455 1.00 0.00 H new ATOM 875 N MET A 57 -1.023 0.384 -7.138 1.00 0.00 N ATOM 876 CA MET A 57 -2.416 0.725 -6.907 1.00 0.00 C ATOM 877 C MET A 57 -3.288 0.301 -8.091 1.00 0.00 C ATOM 878 O MET A 57 -2.870 0.407 -9.243 1.00 0.00 O ATOM 879 CB MET A 57 -2.544 2.234 -6.692 1.00 0.00 C ATOM 880 CG MET A 57 -4.007 2.640 -6.508 1.00 0.00 C ATOM 881 SD MET A 57 -4.138 4.416 -6.385 1.00 0.00 S ATOM 882 CE MET A 57 -4.107 4.849 -8.116 1.00 0.00 C ATOM 0 H MET A 57 -0.531 1.010 -7.775 1.00 0.00 H new ATOM 0 HA MET A 57 -2.758 0.193 -6.019 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.968 2.530 -5.815 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.121 2.764 -7.545 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.601 2.281 -7.348 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.412 2.174 -5.609 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.322 5.912 -8.229 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.121 4.633 -8.528 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.859 4.268 -8.650 1.00 0.00 H new ATOM 892 N SER A 58 -4.483 -0.168 -7.766 1.00 0.00 N ATOM 893 CA SER A 58 -5.418 -0.608 -8.788 1.00 0.00 C ATOM 894 C SER A 58 -6.750 0.128 -8.631 1.00 0.00 C ATOM 895 O SER A 58 -7.502 -0.137 -7.695 1.00 0.00 O ATOM 896 CB SER A 58 -5.636 -2.121 -8.721 1.00 0.00 C ATOM 897 OG SER A 58 -6.949 -2.490 -9.136 1.00 0.00 O ATOM 0 H SER A 58 -4.826 -0.253 -6.809 1.00 0.00 H new ATOM 0 HA SER A 58 -4.993 -0.373 -9.764 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.902 -2.621 -9.353 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.467 -2.467 -7.701 1.00 0.00 H new ATOM 0 HG SER A 58 -7.022 -2.400 -10.109 1.00 0.00 H new ATOM 903 N GLU A 59 -7.000 1.038 -9.561 1.00 0.00 N ATOM 904 CA GLU A 59 -8.229 1.814 -9.538 1.00 0.00 C ATOM 905 C GLU A 59 -9.397 0.974 -10.059 1.00 0.00 C ATOM 906 O GLU A 59 -9.286 -0.245 -10.178 1.00 0.00 O ATOM 907 CB GLU A 59 -8.077 3.104 -10.345 1.00 0.00 C ATOM 908 CG GLU A 59 -8.907 4.235 -9.733 1.00 0.00 C ATOM 909 CD GLU A 59 -9.585 5.069 -10.822 1.00 0.00 C ATOM 910 OE1 GLU A 59 -9.985 4.459 -11.837 1.00 0.00 O ATOM 911 OE2 GLU A 59 -9.689 6.297 -10.614 1.00 0.00 O ATOM 0 H GLU A 59 -6.373 1.256 -10.335 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.441 2.093 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.027 3.395 -10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.392 2.933 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.662 3.817 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.266 4.875 -9.127 1.00 0.00 H new ATOM 918 N ASN A 60 -10.490 1.661 -10.357 1.00 0.00 N ATOM 919 CA ASN A 60 -11.678 0.994 -10.863 1.00 0.00 C ATOM 920 C ASN A 60 -11.293 0.105 -12.047 1.00 0.00 C ATOM 921 O ASN A 60 -11.106 0.594 -13.160 1.00 0.00 O ATOM 922 CB ASN A 60 -12.714 2.009 -11.351 1.00 0.00 C ATOM 923 CG ASN A 60 -14.005 1.910 -10.535 1.00 0.00 C ATOM 924 OD1 ASN A 60 -14.769 0.966 -10.647 1.00 0.00 O ATOM 925 ND2 ASN A 60 -14.204 2.934 -9.711 1.00 0.00 N ATOM 0 H ASN A 60 -10.578 2.672 -10.258 1.00 0.00 H new ATOM 0 HA ASN A 60 -12.105 0.404 -10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.306 3.017 -11.272 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.931 1.834 -12.405 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -15.037 2.961 -9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.523 3.693 -9.667 1.00 0.00 H new ATOM 932 N ASN A 61 -11.186 -1.186 -11.767 1.00 0.00 N ATOM 933 CA ASN A 61 -10.827 -2.147 -12.795 1.00 0.00 C ATOM 934 C ASN A 61 -9.567 -1.667 -13.519 1.00 0.00 C ATOM 935 O ASN A 61 -9.308 -2.067 -14.653 1.00 0.00 O ATOM 936 CB ASN A 61 -11.943 -2.288 -13.832 1.00 0.00 C ATOM 937 CG ASN A 61 -12.588 -3.674 -13.759 1.00 0.00 C ATOM 938 OD1 ASN A 61 -12.678 -4.290 -12.710 1.00 0.00 O ATOM 939 ND2 ASN A 61 -13.030 -4.127 -14.928 1.00 0.00 N ATOM 0 H ASN A 61 -11.342 -1.588 -10.843 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.660 -3.110 -12.312 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.700 -1.522 -13.664 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.539 -2.123 -14.831 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.477 -5.042 -14.984 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.923 -3.559 -15.769 1.00 0.00 H new ATOM 946 N ALA A 62 -8.818 -0.816 -12.834 1.00 0.00 N ATOM 947 CA ALA A 62 -7.592 -0.277 -13.397 1.00 0.00 C ATOM 948 C ALA A 62 -6.444 -1.254 -13.138 1.00 0.00 C ATOM 949 O ALA A 62 -6.458 -1.987 -12.150 1.00 0.00 O ATOM 950 CB ALA A 62 -7.323 1.108 -12.804 1.00 0.00 C ATOM 0 H ALA A 62 -9.037 -0.486 -11.894 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.686 -0.157 -14.476 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.403 1.512 -13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.154 1.773 -13.041 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.220 1.027 -11.722 1.00 0.00 H new ATOM 956 N PRO A 63 -5.451 -1.233 -14.067 1.00 0.00 N ATOM 957 CA PRO A 63 -4.297 -2.109 -13.949 1.00 0.00 C ATOM 958 C PRO A 63 -3.340 -1.611 -12.864 1.00 0.00 C ATOM 959 O PRO A 63 -3.176 -0.406 -12.681 1.00 0.00 O ATOM 960 CB PRO A 63 -3.670 -2.123 -15.334 1.00 0.00 C ATOM 961 CG PRO A 63 -4.217 -0.899 -16.051 1.00 0.00 C ATOM 962 CD PRO A 63 -5.400 -0.379 -15.250 1.00 0.00 C ATOM 0 HA PRO A 63 -4.565 -3.119 -13.638 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.582 -2.085 -15.271 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.927 -3.037 -15.870 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.448 -0.132 -16.137 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.526 -1.156 -17.064 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.264 0.668 -14.977 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.325 -0.441 -15.824 1.00 0.00 H new ATOM 970 N TRP A 64 -2.732 -2.565 -12.174 1.00 0.00 N ATOM 971 CA TRP A 64 -1.795 -2.238 -11.112 1.00 0.00 C ATOM 972 C TRP A 64 -0.886 -1.114 -11.613 1.00 0.00 C ATOM 973 O TRP A 64 -0.065 -1.325 -12.504 1.00 0.00 O ATOM 974 CB TRP A 64 -1.020 -3.479 -10.664 1.00 0.00 C ATOM 975 CG TRP A 64 -1.864 -4.496 -9.893 1.00 0.00 C ATOM 976 CD1 TRP A 64 -2.093 -5.780 -10.199 1.00 0.00 C ATOM 977 CD2 TRP A 64 -2.587 -4.258 -8.666 1.00 0.00 C ATOM 978 NE1 TRP A 64 -2.907 -6.385 -9.264 1.00 0.00 N ATOM 979 CE2 TRP A 64 -3.217 -5.431 -8.302 1.00 0.00 C ATOM 980 CE3 TRP A 64 -2.704 -3.092 -7.890 1.00 0.00 C ATOM 981 CZ2 TRP A 64 -4.008 -5.551 -7.153 1.00 0.00 C ATOM 982 CZ3 TRP A 64 -3.498 -3.229 -6.745 1.00 0.00 C ATOM 983 CH2 TRP A 64 -4.139 -4.402 -6.365 1.00 0.00 C ATOM 0 H TRP A 64 -2.870 -3.564 -12.329 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.324 -1.889 -10.225 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.595 -3.966 -11.542 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.185 -3.166 -10.038 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.691 -6.279 -11.068 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.223 -7.355 -9.276 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.220 -2.164 -8.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.491 -6.480 -6.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.621 -2.362 -6.113 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.736 -4.427 -5.465 1.00 0.00 H new ATOM 994 N THR A 65 -1.063 0.056 -11.017 1.00 0.00 N ATOM 995 CA THR A 65 -0.268 1.214 -11.391 1.00 0.00 C ATOM 996 C THR A 65 0.700 1.583 -10.266 1.00 0.00 C ATOM 997 O THR A 65 0.303 2.194 -9.275 1.00 0.00 O ATOM 998 CB THR A 65 -1.229 2.346 -11.762 1.00 0.00 C ATOM 999 OG1 THR A 65 -0.371 3.416 -12.150 1.00 0.00 O ATOM 1000 CG2 THR A 65 -1.983 2.895 -10.549 1.00 0.00 C ATOM 0 H THR A 65 -1.745 0.227 -10.278 1.00 0.00 H new ATOM 0 HA THR A 65 0.358 1.001 -12.258 1.00 0.00 H new ATOM 0 HB THR A 65 -1.944 1.987 -12.502 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.912 4.192 -12.408 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.651 3.695 -10.867 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.566 2.096 -10.091 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.270 3.285 -9.823 1.00 0.00 H new ATOM 1008 N VAL A 66 1.953 1.195 -10.456 1.00 0.00 N ATOM 1009 CA VAL A 66 2.982 1.478 -9.469 1.00 0.00 C ATOM 1010 C VAL A 66 2.974 2.973 -9.144 1.00 0.00 C ATOM 1011 O VAL A 66 3.507 3.780 -9.904 1.00 0.00 O ATOM 1012 CB VAL A 66 4.339 0.982 -9.972 1.00 0.00 C ATOM 1013 CG1 VAL A 66 4.502 1.254 -11.469 1.00 0.00 C ATOM 1014 CG2 VAL A 66 5.482 1.611 -9.173 1.00 0.00 C ATOM 0 H VAL A 66 2.279 0.687 -11.278 1.00 0.00 H new ATOM 0 HA VAL A 66 2.779 0.943 -8.541 1.00 0.00 H new ATOM 0 HB VAL A 66 4.378 -0.097 -9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.475 0.892 -11.801 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.716 0.738 -12.020 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.432 2.326 -11.654 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.436 1.242 -9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.445 2.695 -9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.380 1.344 -8.121 1.00 0.00 H new ATOM 1024 N LEU A 67 2.363 3.297 -8.014 1.00 0.00 N ATOM 1025 CA LEU A 67 2.279 4.680 -7.579 1.00 0.00 C ATOM 1026 C LEU A 67 3.598 5.083 -6.915 1.00 0.00 C ATOM 1027 O LEU A 67 4.200 6.090 -7.283 1.00 0.00 O ATOM 1028 CB LEU A 67 1.053 4.888 -6.687 1.00 0.00 C ATOM 1029 CG LEU A 67 -0.234 5.304 -7.403 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -1.337 5.639 -6.397 1.00 0.00 C ATOM 1031 CD2 LEU A 67 0.027 6.458 -8.373 1.00 0.00 C ATOM 0 H LEU A 67 1.921 2.625 -7.387 1.00 0.00 H new ATOM 0 HA LEU A 67 2.138 5.340 -8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.861 3.962 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.294 5.648 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.584 4.459 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.241 5.932 -6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.547 4.764 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.011 6.461 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.904 6.734 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.413 7.316 -7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.758 6.147 -9.120 1.00 0.00 H new ATOM 1043 N LEU A 68 4.007 4.275 -5.947 1.00 0.00 N ATOM 1044 CA LEU A 68 5.243 4.535 -5.228 1.00 0.00 C ATOM 1045 C LEU A 68 6.258 3.438 -5.556 1.00 0.00 C ATOM 1046 O LEU A 68 6.098 2.293 -5.135 1.00 0.00 O ATOM 1047 CB LEU A 68 4.969 4.692 -3.731 1.00 0.00 C ATOM 1048 CG LEU A 68 5.226 6.082 -3.145 1.00 0.00 C ATOM 1049 CD1 LEU A 68 4.543 6.238 -1.785 1.00 0.00 C ATOM 1050 CD2 LEU A 68 6.725 6.377 -3.071 1.00 0.00 C ATOM 0 H LEU A 68 3.505 3.441 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 68 5.680 5.481 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.929 4.426 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.585 3.972 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 68 4.785 6.822 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.741 7.235 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.468 6.101 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.933 5.490 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.880 7.371 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.211 5.635 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.154 6.335 -4.072 1.00 0.00 H new ATOM 1062 N ALA A 69 7.280 3.826 -6.305 1.00 0.00 N ATOM 1063 CA ALA A 69 8.321 2.890 -6.693 1.00 0.00 C ATOM 1064 C ALA A 69 9.419 2.883 -5.628 1.00 0.00 C ATOM 1065 O ALA A 69 10.009 1.842 -5.346 1.00 0.00 O ATOM 1066 CB ALA A 69 8.854 3.265 -8.077 1.00 0.00 C ATOM 0 H ALA A 69 7.409 4.776 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 69 7.921 1.878 -6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.635 2.563 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.042 3.226 -8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.266 4.274 -8.047 1.00 0.00 H new ATOM 1072 N SER A 70 9.660 4.058 -5.065 1.00 0.00 N ATOM 1073 CA SER A 70 10.676 4.201 -4.036 1.00 0.00 C ATOM 1074 C SER A 70 10.016 4.438 -2.677 1.00 0.00 C ATOM 1075 O SER A 70 9.597 5.554 -2.372 1.00 0.00 O ATOM 1076 CB SER A 70 11.637 5.345 -4.366 1.00 0.00 C ATOM 1077 OG SER A 70 11.431 6.475 -3.523 1.00 0.00 O ATOM 0 H SER A 70 9.169 4.920 -5.302 1.00 0.00 H new ATOM 0 HA SER A 70 11.253 3.277 -3.996 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.665 4.997 -4.261 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.505 5.640 -5.407 1.00 0.00 H new ATOM 0 HG SER A 70 10.474 6.571 -3.333 1.00 0.00 H new ATOM 1083 N VAL A 71 9.943 3.370 -1.896 1.00 0.00 N ATOM 1084 CA VAL A 71 9.340 3.447 -0.576 1.00 0.00 C ATOM 1085 C VAL A 71 10.389 3.093 0.480 1.00 0.00 C ATOM 1086 O VAL A 71 11.342 2.369 0.196 1.00 0.00 O ATOM 1087 CB VAL A 71 8.102 2.551 -0.513 1.00 0.00 C ATOM 1088 CG1 VAL A 71 7.650 2.342 0.934 1.00 0.00 C ATOM 1089 CG2 VAL A 71 6.967 3.124 -1.364 1.00 0.00 C ATOM 0 H VAL A 71 10.292 2.446 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 71 9.000 4.462 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 71 8.371 1.578 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.768 1.702 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.452 1.870 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.407 3.306 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.099 2.468 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.700 4.115 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.292 3.198 -2.402 1.00 0.00 H new ATOM 1099 N ASP A 72 10.178 3.620 1.677 1.00 0.00 N ATOM 1100 CA ASP A 72 11.093 3.369 2.777 1.00 0.00 C ATOM 1101 C ASP A 72 11.003 1.897 3.184 1.00 0.00 C ATOM 1102 O ASP A 72 9.912 1.333 3.251 1.00 0.00 O ATOM 1103 CB ASP A 72 10.734 4.219 3.998 1.00 0.00 C ATOM 1104 CG ASP A 72 11.850 5.140 4.496 1.00 0.00 C ATOM 1105 OD1 ASP A 72 12.387 5.888 3.651 1.00 0.00 O ATOM 1106 OD2 ASP A 72 12.140 5.074 5.709 1.00 0.00 O ATOM 0 H ASP A 72 9.386 4.220 1.909 1.00 0.00 H new ATOM 0 HA ASP A 72 12.099 3.624 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.863 4.827 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.442 3.555 4.811 1.00 0.00 H new ATOM 1111 N PRO A 73 12.196 1.300 3.450 1.00 0.00 N ATOM 1112 CA PRO A 73 12.263 -0.096 3.848 1.00 0.00 C ATOM 1113 C PRO A 73 11.809 -0.275 5.298 1.00 0.00 C ATOM 1114 O PRO A 73 11.253 -1.312 5.655 1.00 0.00 O ATOM 1115 CB PRO A 73 13.711 -0.500 3.624 1.00 0.00 C ATOM 1116 CG PRO A 73 14.500 0.797 3.553 1.00 0.00 C ATOM 1117 CD PRO A 73 13.508 1.937 3.381 1.00 0.00 C ATOM 0 HA PRO A 73 11.593 -0.731 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.070 -1.132 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.818 -1.073 2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.088 0.936 4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.201 0.772 2.719 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.626 2.686 4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.651 2.446 2.428 1.00 0.00 H new ATOM 1125 N LYS A 74 12.064 0.752 6.096 1.00 0.00 N ATOM 1126 CA LYS A 74 11.689 0.722 7.499 1.00 0.00 C ATOM 1127 C LYS A 74 10.299 1.338 7.665 1.00 0.00 C ATOM 1128 O LYS A 74 9.940 1.786 8.752 1.00 0.00 O ATOM 1129 CB LYS A 74 12.765 1.392 8.356 1.00 0.00 C ATOM 1130 CG LYS A 74 14.142 0.786 8.080 1.00 0.00 C ATOM 1131 CD LYS A 74 14.953 0.657 9.372 1.00 0.00 C ATOM 1132 CE LYS A 74 15.041 2.000 10.100 1.00 0.00 C ATOM 1133 NZ LYS A 74 14.984 1.799 11.565 1.00 0.00 N ATOM 0 H LYS A 74 12.526 1.611 5.797 1.00 0.00 H new ATOM 0 HA LYS A 74 11.626 -0.307 7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.786 2.462 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.518 1.277 9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.026 -0.195 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.682 1.410 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.490 -0.084 10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.956 0.298 9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.969 2.506 9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.223 2.647 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.045 2.720 12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.088 1.336 11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.779 1.200 11.864 1.00 0.00 H new ATOM 1147 N ALA A 75 9.553 1.340 6.569 1.00 0.00 N ATOM 1148 CA ALA A 75 8.210 1.893 6.579 1.00 0.00 C ATOM 1149 C ALA A 75 7.194 0.758 6.435 1.00 0.00 C ATOM 1150 O ALA A 75 7.405 -0.173 5.660 1.00 0.00 O ATOM 1151 CB ALA A 75 8.079 2.937 5.469 1.00 0.00 C ATOM 0 H ALA A 75 9.854 0.967 5.669 1.00 0.00 H new ATOM 0 HA ALA A 75 8.010 2.396 7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.071 3.352 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.802 3.736 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.271 2.468 4.504 1.00 0.00 H new ATOM 1157 N THR A 76 6.114 0.873 7.194 1.00 0.00 N ATOM 1158 CA THR A 76 5.065 -0.132 7.160 1.00 0.00 C ATOM 1159 C THR A 76 3.718 0.515 6.831 1.00 0.00 C ATOM 1160 O THR A 76 2.697 -0.169 6.765 1.00 0.00 O ATOM 1161 CB THR A 76 5.074 -0.870 8.500 1.00 0.00 C ATOM 1162 OG1 THR A 76 4.947 0.168 9.469 1.00 0.00 O ATOM 1163 CG2 THR A 76 6.431 -1.505 8.810 1.00 0.00 C ATOM 0 H THR A 76 5.943 1.647 7.836 1.00 0.00 H new ATOM 0 HA THR A 76 5.241 -0.862 6.370 1.00 0.00 H new ATOM 0 HB THR A 76 4.305 -1.642 8.494 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.942 -0.222 10.368 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.383 -2.016 9.772 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.683 -2.223 8.030 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.195 -0.729 8.850 1.00 0.00 H new ATOM 1171 N SER A 77 3.758 1.824 6.634 1.00 0.00 N ATOM 1172 CA SER A 77 2.553 2.570 6.314 1.00 0.00 C ATOM 1173 C SER A 77 2.878 3.689 5.322 1.00 0.00 C ATOM 1174 O SER A 77 3.939 4.305 5.402 1.00 0.00 O ATOM 1175 CB SER A 77 1.913 3.150 7.576 1.00 0.00 C ATOM 1176 OG SER A 77 2.888 3.636 8.495 1.00 0.00 O ATOM 0 H SER A 77 4.606 2.388 6.690 1.00 0.00 H new ATOM 0 HA SER A 77 1.838 1.885 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.239 3.961 7.300 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.308 2.384 8.061 1.00 0.00 H new ATOM 0 HG SER A 77 2.439 4.000 9.287 1.00 0.00 H new ATOM 1182 N VAL A 78 1.945 3.916 4.409 1.00 0.00 N ATOM 1183 CA VAL A 78 2.119 4.949 3.402 1.00 0.00 C ATOM 1184 C VAL A 78 0.796 5.692 3.206 1.00 0.00 C ATOM 1185 O VAL A 78 -0.274 5.140 3.458 1.00 0.00 O ATOM 1186 CB VAL A 78 2.656 4.334 2.108 1.00 0.00 C ATOM 1187 CG1 VAL A 78 1.566 3.540 1.385 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.250 5.409 1.195 1.00 0.00 C ATOM 0 H VAL A 78 1.066 3.402 4.346 1.00 0.00 H new ATOM 0 HA VAL A 78 2.858 5.680 3.729 1.00 0.00 H new ATOM 0 HB VAL A 78 3.455 3.641 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.974 3.113 0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.211 2.738 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.736 4.202 1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.624 4.945 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.480 6.138 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.069 5.911 1.709 1.00 0.00 H new ATOM 1198 N THR A 79 0.912 6.934 2.759 1.00 0.00 N ATOM 1199 CA THR A 79 -0.261 7.758 2.526 1.00 0.00 C ATOM 1200 C THR A 79 -0.372 8.122 1.044 1.00 0.00 C ATOM 1201 O THR A 79 0.488 8.816 0.505 1.00 0.00 O ATOM 1202 CB THR A 79 -0.172 8.978 3.446 1.00 0.00 C ATOM 1203 OG1 THR A 79 -0.064 8.420 4.753 1.00 0.00 O ATOM 1204 CG2 THR A 79 -1.477 9.776 3.489 1.00 0.00 C ATOM 0 H THR A 79 1.801 7.389 2.552 1.00 0.00 H new ATOM 0 HA THR A 79 -1.177 7.218 2.765 1.00 0.00 H new ATOM 0 HB THR A 79 0.639 9.626 3.112 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.950 8.136 5.062 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.359 10.630 4.156 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.721 10.129 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.282 9.138 3.855 1.00 0.00 H new ATOM 1212 N VAL A 80 -1.440 7.637 0.427 1.00 0.00 N ATOM 1213 CA VAL A 80 -1.675 7.902 -0.982 1.00 0.00 C ATOM 1214 C VAL A 80 -2.442 9.218 -1.127 1.00 0.00 C ATOM 1215 O VAL A 80 -3.225 9.585 -0.253 1.00 0.00 O ATOM 1216 CB VAL A 80 -2.397 6.716 -1.624 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -2.746 7.012 -3.084 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -1.562 5.439 -1.508 1.00 0.00 C ATOM 0 H VAL A 80 -2.152 7.062 0.877 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.730 8.016 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.329 6.557 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.258 6.153 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.397 7.885 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.832 7.209 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.098 4.611 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.607 5.582 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.386 5.214 -0.456 1.00 0.00 H new ATOM 1228 N LYS A 81 -2.189 9.894 -2.239 1.00 0.00 N ATOM 1229 CA LYS A 81 -2.845 11.161 -2.511 1.00 0.00 C ATOM 1230 C LYS A 81 -3.194 11.242 -3.998 1.00 0.00 C ATOM 1231 O LYS A 81 -2.814 10.368 -4.777 1.00 0.00 O ATOM 1232 CB LYS A 81 -1.986 12.326 -2.016 1.00 0.00 C ATOM 1233 CG LYS A 81 -1.687 12.191 -0.522 1.00 0.00 C ATOM 1234 CD LYS A 81 -0.586 13.163 -0.093 1.00 0.00 C ATOM 1235 CE LYS A 81 0.557 12.424 0.606 1.00 0.00 C ATOM 1236 NZ LYS A 81 1.837 12.663 -0.097 1.00 0.00 N ATOM 0 H LYS A 81 -1.538 9.587 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.783 11.230 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.051 12.357 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.501 13.268 -2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.593 12.385 0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.381 11.169 -0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.202 13.691 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.001 13.915 0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.636 12.759 1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.344 11.355 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.601 12.154 0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.764 12.322 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.046 13.682 -0.100 1.00 0.00 H new ATOM 1250 N GLY A 82 -3.912 12.299 -4.349 1.00 0.00 N ATOM 1251 CA GLY A 82 -4.315 12.505 -5.730 1.00 0.00 C ATOM 1252 C GLY A 82 -5.208 11.361 -6.216 1.00 0.00 C ATOM 1253 O GLY A 82 -4.897 10.705 -7.209 1.00 0.00 O ATOM 0 H GLY A 82 -4.225 13.022 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.849 13.451 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.431 12.576 -6.364 1.00 0.00 H new ATOM 1257 N LEU A 83 -6.301 11.158 -5.495 1.00 0.00 N ATOM 1258 CA LEU A 83 -7.241 10.106 -5.841 1.00 0.00 C ATOM 1259 C LEU A 83 -8.530 10.735 -6.373 1.00 0.00 C ATOM 1260 O LEU A 83 -8.647 11.957 -6.440 1.00 0.00 O ATOM 1261 CB LEU A 83 -7.459 9.170 -4.650 1.00 0.00 C ATOM 1262 CG LEU A 83 -6.214 8.451 -4.125 1.00 0.00 C ATOM 1263 CD1 LEU A 83 -6.596 7.329 -3.158 1.00 0.00 C ATOM 1264 CD2 LEU A 83 -5.347 7.943 -5.279 1.00 0.00 C ATOM 0 H LEU A 83 -6.556 11.705 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.838 9.481 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.892 9.748 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.196 8.418 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.615 9.169 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.693 6.834 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.140 7.748 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.227 6.604 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.469 7.436 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.923 7.245 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.031 8.785 -5.894 1.00 0.00 H new ATOM 1276 N VAL A 84 -9.466 9.870 -6.737 1.00 0.00 N ATOM 1277 CA VAL A 84 -10.742 10.325 -7.261 1.00 0.00 C ATOM 1278 C VAL A 84 -11.851 9.976 -6.266 1.00 0.00 C ATOM 1279 O VAL A 84 -11.845 8.895 -5.679 1.00 0.00 O ATOM 1280 CB VAL A 84 -10.978 9.733 -8.652 1.00 0.00 C ATOM 1281 CG1 VAL A 84 -12.388 10.055 -9.153 1.00 0.00 C ATOM 1282 CG2 VAL A 84 -9.919 10.221 -9.643 1.00 0.00 C ATOM 0 H VAL A 84 -9.366 8.857 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.741 11.408 -7.380 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.889 8.649 -8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.530 9.623 -10.144 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.123 9.636 -8.466 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.517 11.136 -9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.110 9.785 -10.624 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.961 11.308 -9.714 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.931 9.918 -9.298 1.00 0.00 H new ATOM 1292 N PRO A 85 -12.800 10.936 -6.103 1.00 0.00 N ATOM 1293 CA PRO A 85 -13.913 10.740 -5.190 1.00 0.00 C ATOM 1294 C PRO A 85 -14.943 9.774 -5.778 1.00 0.00 C ATOM 1295 O PRO A 85 -15.163 9.757 -6.988 1.00 0.00 O ATOM 1296 CB PRO A 85 -14.474 12.132 -4.950 1.00 0.00 C ATOM 1297 CG PRO A 85 -13.957 12.993 -6.091 1.00 0.00 C ATOM 1298 CD PRO A 85 -12.839 12.228 -6.782 1.00 0.00 C ATOM 0 HA PRO A 85 -13.609 10.279 -4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.564 12.117 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -14.148 12.524 -3.987 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.759 13.216 -6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.590 13.947 -5.713 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -13.039 12.110 -7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.887 12.751 -6.693 1.00 0.00 H new ATOM 1306 N ALA A 86 -15.546 8.992 -4.895 1.00 0.00 N ATOM 1307 CA ALA A 86 -16.547 8.025 -5.312 1.00 0.00 C ATOM 1308 C ALA A 86 -15.914 7.030 -6.287 1.00 0.00 C ATOM 1309 O ALA A 86 -16.452 6.784 -7.365 1.00 0.00 O ATOM 1310 CB ALA A 86 -17.743 8.759 -5.922 1.00 0.00 C ATOM 0 H ALA A 86 -15.361 9.008 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 86 -16.914 7.459 -4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -18.494 8.034 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -18.174 9.431 -5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -17.414 9.336 -6.786 1.00 0.00 H new ATOM 1316 N ARG A 87 -14.779 6.485 -5.873 1.00 0.00 N ATOM 1317 CA ARG A 87 -14.067 5.523 -6.696 1.00 0.00 C ATOM 1318 C ARG A 87 -13.296 4.538 -5.815 1.00 0.00 C ATOM 1319 O ARG A 87 -12.777 4.914 -4.765 1.00 0.00 O ATOM 1320 CB ARG A 87 -13.089 6.224 -7.641 1.00 0.00 C ATOM 1321 CG ARG A 87 -13.762 6.565 -8.972 1.00 0.00 C ATOM 1322 CD ARG A 87 -12.722 6.769 -10.076 1.00 0.00 C ATOM 1323 NE ARG A 87 -13.370 7.324 -11.285 1.00 0.00 N ATOM 1324 CZ ARG A 87 -14.156 6.617 -12.108 1.00 0.00 C ATOM 1325 NH1 ARG A 87 -14.397 5.323 -11.857 1.00 0.00 N ATOM 1326 NH2 ARG A 87 -14.702 7.204 -13.182 1.00 0.00 N ATOM 0 H ARG A 87 -14.335 6.692 -4.978 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.805 4.984 -7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.716 7.136 -7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.227 5.582 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.445 5.764 -9.254 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.361 7.469 -8.860 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.940 7.445 -9.730 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.241 5.820 -10.314 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.208 8.307 -11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.982 4.876 -11.039 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -14.995 4.785 -12.484 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.519 8.189 -13.373 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.300 6.666 -13.808 1.00 0.00 H new ATOM 1340 N SER A 88 -13.247 3.296 -6.274 1.00 0.00 N ATOM 1341 CA SER A 88 -12.549 2.254 -5.541 1.00 0.00 C ATOM 1342 C SER A 88 -11.044 2.347 -5.805 1.00 0.00 C ATOM 1343 O SER A 88 -10.624 2.786 -6.874 1.00 0.00 O ATOM 1344 CB SER A 88 -13.070 0.867 -5.923 1.00 0.00 C ATOM 1345 OG SER A 88 -14.406 0.657 -5.473 1.00 0.00 O ATOM 0 H SER A 88 -13.680 2.988 -7.145 1.00 0.00 H new ATOM 0 HA SER A 88 -12.735 2.401 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.029 0.750 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.419 0.105 -5.495 1.00 0.00 H new ATOM 0 HG SER A 88 -14.953 0.326 -6.216 1.00 0.00 H new ATOM 1351 N TYR A 89 -10.275 1.925 -4.812 1.00 0.00 N ATOM 1352 CA TYR A 89 -8.826 1.955 -4.924 1.00 0.00 C ATOM 1353 C TYR A 89 -8.195 0.774 -4.184 1.00 0.00 C ATOM 1354 O TYR A 89 -8.461 0.563 -3.002 1.00 0.00 O ATOM 1355 CB TYR A 89 -8.378 3.257 -4.257 1.00 0.00 C ATOM 1356 CG TYR A 89 -8.423 4.476 -5.180 1.00 0.00 C ATOM 1357 CD1 TYR A 89 -7.525 4.586 -6.222 1.00 0.00 C ATOM 1358 CD2 TYR A 89 -9.362 5.466 -4.970 1.00 0.00 C ATOM 1359 CE1 TYR A 89 -7.567 5.734 -7.091 1.00 0.00 C ATOM 1360 CE2 TYR A 89 -9.404 6.614 -5.839 1.00 0.00 C ATOM 1361 CZ TYR A 89 -8.504 6.691 -6.856 1.00 0.00 C ATOM 1362 OH TYR A 89 -8.544 7.775 -7.677 1.00 0.00 O ATOM 0 H TYR A 89 -10.627 1.561 -3.927 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.520 1.894 -5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.012 3.446 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.361 3.132 -3.886 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.791 3.811 -6.386 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.065 5.380 -4.154 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.870 5.832 -7.910 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.133 7.396 -5.687 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.012 7.541 -8.506 1.00 0.00 H new ATOM 1372 N GLN A 90 -7.371 0.034 -4.911 1.00 0.00 N ATOM 1373 CA GLN A 90 -6.700 -1.121 -4.339 1.00 0.00 C ATOM 1374 C GLN A 90 -5.209 -0.830 -4.152 1.00 0.00 C ATOM 1375 O GLN A 90 -4.662 0.064 -4.796 1.00 0.00 O ATOM 1376 CB GLN A 90 -6.911 -2.364 -5.206 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.295 -2.971 -4.967 1.00 0.00 C ATOM 1378 CD GLN A 90 -8.439 -4.310 -5.693 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -8.833 -5.310 -4.910 1.00 0.00 O flip ATOM 1380 NE2 GLN A 90 -8.209 -4.427 -6.885 1.00 0.00 N flip ATOM 0 H GLN A 90 -7.153 0.212 -5.891 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.137 -1.322 -3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.802 -2.101 -6.258 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.142 -3.103 -4.981 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.454 -3.114 -3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.064 -2.281 -5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.910 -3.617 -7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.316 -5.334 -7.338 1.00 0.00 H new ATOM 1389 N PHE A 91 -4.595 -1.602 -3.268 1.00 0.00 N ATOM 1390 CA PHE A 91 -3.178 -1.438 -2.988 1.00 0.00 C ATOM 1391 C PHE A 91 -2.505 -2.792 -2.754 1.00 0.00 C ATOM 1392 O PHE A 91 -3.129 -3.719 -2.240 1.00 0.00 O ATOM 1393 CB PHE A 91 -3.069 -0.600 -1.712 1.00 0.00 C ATOM 1394 CG PHE A 91 -3.460 0.867 -1.896 1.00 0.00 C ATOM 1395 CD1 PHE A 91 -3.031 1.555 -2.988 1.00 0.00 C ATOM 1396 CD2 PHE A 91 -4.239 1.485 -0.967 1.00 0.00 C ATOM 1397 CE1 PHE A 91 -3.394 2.917 -3.158 1.00 0.00 C ATOM 1398 CE2 PHE A 91 -4.603 2.847 -1.137 1.00 0.00 C ATOM 1399 CZ PHE A 91 -4.173 3.534 -2.229 1.00 0.00 C ATOM 0 H PHE A 91 -5.052 -2.343 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.684 -0.959 -3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.705 -1.041 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.044 -0.649 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.414 1.065 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.581 0.939 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.052 3.463 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.221 3.337 -0.399 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.450 4.570 -2.359 1.00 0.00 H new ATOM 1409 N ARG A 92 -1.241 -2.863 -3.143 1.00 0.00 N ATOM 1410 CA ARG A 92 -0.476 -4.088 -2.983 1.00 0.00 C ATOM 1411 C ARG A 92 1.013 -3.817 -3.204 1.00 0.00 C ATOM 1412 O ARG A 92 1.457 -3.659 -4.341 1.00 0.00 O ATOM 1413 CB ARG A 92 -0.944 -5.162 -3.966 1.00 0.00 C ATOM 1414 CG ARG A 92 -0.895 -4.646 -5.406 1.00 0.00 C ATOM 1415 CD ARG A 92 -0.157 -5.630 -6.316 1.00 0.00 C ATOM 1416 NE ARG A 92 -1.102 -6.640 -6.842 1.00 0.00 N ATOM 1417 CZ ARG A 92 -0.755 -7.633 -7.672 1.00 0.00 C ATOM 1418 NH1 ARG A 92 0.516 -7.756 -8.075 1.00 0.00 N ATOM 1419 NH2 ARG A 92 -1.680 -8.504 -8.098 1.00 0.00 N ATOM 0 H ARG A 92 -0.727 -2.092 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.636 -4.448 -1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.314 -6.046 -3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.961 -5.467 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.909 -4.493 -5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.397 -3.677 -5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.311 -5.094 -7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.642 -6.122 -5.761 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.079 -6.576 -6.555 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.220 -7.094 -7.750 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.780 -8.512 -8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.648 -8.411 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.416 -9.260 -8.730 1.00 0.00 H new ATOM 1433 N LEU A 93 1.745 -3.771 -2.101 1.00 0.00 N ATOM 1434 CA LEU A 93 3.175 -3.522 -2.160 1.00 0.00 C ATOM 1435 C LEU A 93 3.927 -4.794 -1.761 1.00 0.00 C ATOM 1436 O LEU A 93 3.410 -5.612 -1.002 1.00 0.00 O ATOM 1437 CB LEU A 93 3.542 -2.300 -1.316 1.00 0.00 C ATOM 1438 CG LEU A 93 3.329 -2.440 0.193 1.00 0.00 C ATOM 1439 CD1 LEU A 93 4.255 -1.498 0.966 1.00 0.00 C ATOM 1440 CD2 LEU A 93 1.860 -2.229 0.562 1.00 0.00 C ATOM 0 H LEU A 93 1.374 -3.902 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 93 3.477 -3.279 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.590 -2.061 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.957 -1.450 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 93 3.590 -3.458 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.084 -1.617 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.293 -1.738 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.048 -0.467 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.737 -2.334 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.548 -1.230 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.247 -2.972 0.053 1.00 0.00 H new ATOM 1452 N CYS A 94 5.135 -4.919 -2.291 1.00 0.00 N ATOM 1453 CA CYS A 94 5.963 -6.077 -2.000 1.00 0.00 C ATOM 1454 C CYS A 94 7.230 -5.596 -1.290 1.00 0.00 C ATOM 1455 O CYS A 94 7.451 -4.393 -1.155 1.00 0.00 O ATOM 1456 CB CYS A 94 6.285 -6.875 -3.265 1.00 0.00 C ATOM 1457 SG CYS A 94 7.126 -5.801 -4.484 1.00 0.00 S ATOM 0 H CYS A 94 5.560 -4.238 -2.920 1.00 0.00 H new ATOM 0 HA CYS A 94 5.420 -6.761 -1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.921 -7.725 -3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.368 -7.278 -3.694 1.00 0.00 H new ATOM 0 HG CYS A 94 6.271 -5.414 -5.384 1.00 0.00 H new ATOM 1463 N ALA A 95 8.029 -6.559 -0.856 1.00 0.00 N ATOM 1464 CA ALA A 95 9.268 -6.248 -0.164 1.00 0.00 C ATOM 1465 C ALA A 95 10.443 -6.424 -1.127 1.00 0.00 C ATOM 1466 O ALA A 95 10.655 -7.511 -1.662 1.00 0.00 O ATOM 1467 CB ALA A 95 9.395 -7.133 1.078 1.00 0.00 C ATOM 0 H ALA A 95 7.843 -7.555 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 95 9.270 -5.211 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.325 -6.900 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.552 -6.949 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.400 -8.181 0.779 1.00 0.00 H new ATOM 1473 N VAL A 96 11.177 -5.338 -1.319 1.00 0.00 N ATOM 1474 CA VAL A 96 12.326 -5.358 -2.209 1.00 0.00 C ATOM 1475 C VAL A 96 13.591 -5.043 -1.409 1.00 0.00 C ATOM 1476 O VAL A 96 13.620 -4.086 -0.637 1.00 0.00 O ATOM 1477 CB VAL A 96 12.101 -4.394 -3.376 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.310 -4.377 -4.313 1.00 0.00 C ATOM 1479 CG2 VAL A 96 10.821 -4.745 -4.137 1.00 0.00 C ATOM 0 H VAL A 96 10.999 -4.438 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 96 12.455 -6.349 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 96 11.982 -3.391 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.124 -3.684 -5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.194 -4.057 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.474 -5.378 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.684 -4.045 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.898 -5.759 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.967 -4.682 -3.462 1.00 0.00 H new ATOM 1489 N ASN A 97 14.607 -5.867 -1.620 1.00 0.00 N ATOM 1490 CA ASN A 97 15.872 -5.688 -0.928 1.00 0.00 C ATOM 1491 C ASN A 97 17.022 -5.991 -1.891 1.00 0.00 C ATOM 1492 O ASN A 97 16.797 -6.239 -3.074 1.00 0.00 O ATOM 1493 CB ASN A 97 15.988 -6.642 0.262 1.00 0.00 C ATOM 1494 CG ASN A 97 15.324 -7.986 -0.045 1.00 0.00 C ATOM 1495 OD1 ASN A 97 14.661 -8.164 -1.054 1.00 0.00 O ATOM 1496 ND2 ASN A 97 15.538 -8.919 0.879 1.00 0.00 N ATOM 0 H ASN A 97 14.580 -6.660 -2.260 1.00 0.00 H new ATOM 0 HA ASN A 97 15.919 -4.659 -0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.039 -6.799 0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.521 -6.194 1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.137 -9.850 0.766 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.103 -8.703 1.700 1.00 0.00 H new ATOM 1503 N ASP A 98 18.230 -5.960 -1.347 1.00 0.00 N ATOM 1504 CA ASP A 98 19.416 -6.228 -2.143 1.00 0.00 C ATOM 1505 C ASP A 98 19.220 -7.532 -2.919 1.00 0.00 C ATOM 1506 O ASP A 98 19.398 -7.567 -4.136 1.00 0.00 O ATOM 1507 CB ASP A 98 20.651 -6.388 -1.254 1.00 0.00 C ATOM 1508 CG ASP A 98 21.950 -6.694 -2.002 1.00 0.00 C ATOM 1509 OD1 ASP A 98 21.865 -6.881 -3.235 1.00 0.00 O ATOM 1510 OD2 ASP A 98 23.000 -6.734 -1.323 1.00 0.00 O ATOM 0 H ASP A 98 18.413 -5.753 -0.365 1.00 0.00 H new ATOM 0 HA ASP A 98 19.565 -5.387 -2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 98 20.787 -5.472 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.464 -7.189 -0.538 1.00 0.00 H new ATOM 1515 N VAL A 99 18.857 -8.572 -2.183 1.00 0.00 N ATOM 1516 CA VAL A 99 18.635 -9.875 -2.787 1.00 0.00 C ATOM 1517 C VAL A 99 17.836 -9.703 -4.081 1.00 0.00 C ATOM 1518 O VAL A 99 18.229 -10.212 -5.130 1.00 0.00 O ATOM 1519 CB VAL A 99 17.954 -10.808 -1.784 1.00 0.00 C ATOM 1520 CG1 VAL A 99 18.506 -10.592 -0.373 1.00 0.00 C ATOM 1521 CG2 VAL A 99 16.435 -10.629 -1.812 1.00 0.00 C ATOM 0 H VAL A 99 18.711 -8.539 -1.174 1.00 0.00 H new ATOM 0 HA VAL A 99 19.585 -10.340 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 99 18.175 -11.834 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 99 18.005 -11.267 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 99 19.577 -10.794 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 99 18.329 -9.561 -0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.976 -11.304 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.185 -9.599 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 99 16.060 -10.856 -2.810 1.00 0.00 H new ATOM 1531 N GLY A 100 16.729 -8.984 -3.964 1.00 0.00 N ATOM 1532 CA GLY A 100 15.871 -8.739 -5.111 1.00 0.00 C ATOM 1533 C GLY A 100 14.464 -8.335 -4.667 1.00 0.00 C ATOM 1534 O GLY A 100 14.305 -7.492 -3.786 1.00 0.00 O ATOM 0 H GLY A 100 16.407 -8.563 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 100 16.301 -7.951 -5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.818 -9.636 -5.728 1.00 0.00 H new ATOM 1538 N LYS A 101 13.478 -8.956 -5.298 1.00 0.00 N ATOM 1539 CA LYS A 101 12.089 -8.672 -4.979 1.00 0.00 C ATOM 1540 C LYS A 101 11.347 -9.988 -4.735 1.00 0.00 C ATOM 1541 O LYS A 101 11.505 -10.943 -5.493 1.00 0.00 O ATOM 1542 CB LYS A 101 11.457 -7.802 -6.068 1.00 0.00 C ATOM 1543 CG LYS A 101 9.950 -7.656 -5.845 1.00 0.00 C ATOM 1544 CD LYS A 101 9.218 -7.446 -7.172 1.00 0.00 C ATOM 1545 CE LYS A 101 9.752 -6.213 -7.904 1.00 0.00 C ATOM 1546 NZ LYS A 101 9.446 -6.296 -9.350 1.00 0.00 N ATOM 0 H LYS A 101 13.614 -9.655 -6.029 1.00 0.00 H new ATOM 0 HA LYS A 101 12.020 -8.091 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.925 -6.818 -6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.643 -8.245 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.564 -8.547 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.757 -6.813 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.339 -8.328 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.150 -7.330 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.307 -5.312 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.829 -6.134 -7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.815 -5.452 -9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.891 -7.146 -9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.416 -6.349 -9.484 1.00 0.00 H new ATOM 1560 N GLY A 102 10.554 -9.994 -3.673 1.00 0.00 N ATOM 1561 CA GLY A 102 9.788 -11.177 -3.320 1.00 0.00 C ATOM 1562 C GLY A 102 8.378 -11.114 -3.911 1.00 0.00 C ATOM 1563 O GLY A 102 8.212 -10.867 -5.105 1.00 0.00 O ATOM 0 H GLY A 102 10.426 -9.199 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.299 -12.068 -3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.728 -11.265 -2.235 1.00 0.00 H new ATOM 1567 N GLN A 103 7.398 -11.341 -3.049 1.00 0.00 N ATOM 1568 CA GLN A 103 6.008 -11.313 -3.472 1.00 0.00 C ATOM 1569 C GLN A 103 5.305 -10.080 -2.901 1.00 0.00 C ATOM 1570 O GLN A 103 5.863 -9.374 -2.063 1.00 0.00 O ATOM 1571 CB GLN A 103 5.284 -12.596 -3.060 1.00 0.00 C ATOM 1572 CG GLN A 103 5.417 -12.843 -1.556 1.00 0.00 C ATOM 1573 CD GLN A 103 6.180 -14.140 -1.278 1.00 0.00 C ATOM 1574 OE1 GLN A 103 6.274 -15.026 -2.112 1.00 0.00 O ATOM 1575 NE2 GLN A 103 6.717 -14.202 -0.063 1.00 0.00 N ATOM 0 H GLN A 103 7.539 -11.545 -2.060 1.00 0.00 H new ATOM 0 HA GLN A 103 5.980 -11.252 -4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.230 -12.525 -3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.696 -13.443 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.936 -12.005 -1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.427 -12.895 -1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.600 -13.424 0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.246 -15.027 0.219 1.00 0.00 H new ATOM 1584 N PHE A 104 4.089 -9.857 -3.379 1.00 0.00 N ATOM 1585 CA PHE A 104 3.304 -8.721 -2.928 1.00 0.00 C ATOM 1586 C PHE A 104 2.272 -9.149 -1.881 1.00 0.00 C ATOM 1587 O PHE A 104 2.189 -10.325 -1.531 1.00 0.00 O ATOM 1588 CB PHE A 104 2.571 -8.169 -4.152 1.00 0.00 C ATOM 1589 CG PHE A 104 3.460 -7.352 -5.092 1.00 0.00 C ATOM 1590 CD1 PHE A 104 4.324 -7.984 -5.932 1.00 0.00 C ATOM 1591 CD2 PHE A 104 3.386 -5.994 -5.089 1.00 0.00 C ATOM 1592 CE1 PHE A 104 5.148 -7.226 -6.804 1.00 0.00 C ATOM 1593 CE2 PHE A 104 4.211 -5.236 -5.962 1.00 0.00 C ATOM 1594 CZ PHE A 104 5.074 -5.868 -6.801 1.00 0.00 C ATOM 0 H PHE A 104 3.629 -10.444 -4.074 1.00 0.00 H new ATOM 0 HA PHE A 104 3.956 -7.975 -2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 104 2.138 -9.000 -4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.743 -7.544 -3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.383 -9.062 -5.935 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.700 -5.492 -4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.834 -7.728 -7.470 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.153 -4.158 -5.959 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.701 -5.292 -7.465 1.00 0.00 H new ATOM 1604 N SER A 105 1.513 -8.171 -1.411 1.00 0.00 N ATOM 1605 CA SER A 105 0.491 -8.431 -0.412 1.00 0.00 C ATOM 1606 C SER A 105 -0.881 -8.538 -1.082 1.00 0.00 C ATOM 1607 O SER A 105 -1.103 -7.961 -2.145 1.00 0.00 O ATOM 1608 CB SER A 105 0.475 -7.337 0.658 1.00 0.00 C ATOM 1609 OG SER A 105 0.686 -6.043 0.101 1.00 0.00 O ATOM 0 H SER A 105 1.585 -7.197 -1.704 1.00 0.00 H new ATOM 0 HA SER A 105 0.724 -9.377 0.077 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.481 -7.355 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.247 -7.543 1.399 1.00 0.00 H new ATOM 0 HG SER A 105 1.617 -5.962 -0.195 1.00 0.00 H new ATOM 1615 N LYS A 106 -1.765 -9.281 -0.432 1.00 0.00 N ATOM 1616 CA LYS A 106 -3.109 -9.471 -0.952 1.00 0.00 C ATOM 1617 C LYS A 106 -3.703 -8.111 -1.326 1.00 0.00 C ATOM 1618 O LYS A 106 -3.195 -7.072 -0.909 1.00 0.00 O ATOM 1619 CB LYS A 106 -3.961 -10.261 0.042 1.00 0.00 C ATOM 1620 CG LYS A 106 -3.823 -11.767 -0.193 1.00 0.00 C ATOM 1621 CD LYS A 106 -4.459 -12.175 -1.523 1.00 0.00 C ATOM 1622 CE LYS A 106 -5.728 -12.999 -1.294 1.00 0.00 C ATOM 1623 NZ LYS A 106 -6.065 -13.778 -2.506 1.00 0.00 N ATOM 0 H LYS A 106 -1.577 -9.758 0.450 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.084 -10.070 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.657 -10.019 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.006 -9.968 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.769 -12.044 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.298 -12.311 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.699 -11.284 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -3.746 -12.755 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.584 -13.673 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.556 -12.339 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.928 -14.332 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.223 -13.129 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -5.281 -14.422 -2.734 1.00 0.00 H new ATOM 1637 N ASP A 107 -4.771 -8.163 -2.109 1.00 0.00 N ATOM 1638 CA ASP A 107 -5.440 -6.949 -2.544 1.00 0.00 C ATOM 1639 C ASP A 107 -6.248 -6.373 -1.381 1.00 0.00 C ATOM 1640 O ASP A 107 -7.219 -6.981 -0.933 1.00 0.00 O ATOM 1641 CB ASP A 107 -6.405 -7.235 -3.696 1.00 0.00 C ATOM 1642 CG ASP A 107 -7.197 -8.538 -3.568 1.00 0.00 C ATOM 1643 OD1 ASP A 107 -6.539 -9.600 -3.530 1.00 0.00 O ATOM 1644 OD2 ASP A 107 -8.442 -8.443 -3.510 1.00 0.00 O ATOM 0 H ASP A 107 -5.189 -9.027 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.678 -6.245 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.108 -6.406 -3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.838 -7.262 -4.627 1.00 0.00 H new ATOM 1649 N THR A 108 -5.819 -5.205 -0.924 1.00 0.00 N ATOM 1650 CA THR A 108 -6.491 -4.540 0.179 1.00 0.00 C ATOM 1651 C THR A 108 -7.995 -4.453 -0.088 1.00 0.00 C ATOM 1652 O THR A 108 -8.418 -4.300 -1.233 1.00 0.00 O ATOM 1653 CB THR A 108 -5.830 -3.175 0.381 1.00 0.00 C ATOM 1654 OG1 THR A 108 -5.739 -2.635 -0.934 1.00 0.00 O ATOM 1655 CG2 THR A 108 -4.374 -3.292 0.838 1.00 0.00 C ATOM 0 H THR A 108 -5.014 -4.702 -1.298 1.00 0.00 H new ATOM 0 HA THR A 108 -6.389 -5.107 1.104 1.00 0.00 H new ATOM 0 HB THR A 108 -6.396 -2.603 1.116 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.792 -1.657 -0.891 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.952 -2.295 0.967 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.332 -3.829 1.786 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.800 -3.835 0.088 1.00 0.00 H new ATOM 1663 N GLU A 109 -8.761 -4.554 0.988 1.00 0.00 N ATOM 1664 CA GLU A 109 -10.209 -4.489 0.885 1.00 0.00 C ATOM 1665 C GLU A 109 -10.626 -3.295 0.024 1.00 0.00 C ATOM 1666 O GLU A 109 -10.187 -2.171 0.260 1.00 0.00 O ATOM 1667 CB GLU A 109 -10.855 -4.418 2.270 1.00 0.00 C ATOM 1668 CG GLU A 109 -11.838 -5.572 2.476 1.00 0.00 C ATOM 1669 CD GLU A 109 -12.804 -5.271 3.624 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -13.781 -4.536 3.365 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -12.543 -5.783 4.734 1.00 0.00 O ATOM 0 H GLU A 109 -8.406 -4.680 1.936 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.561 -5.401 0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.082 -4.452 3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.376 -3.467 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.400 -5.744 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.288 -6.489 2.689 1.00 0.00 H new ATOM 1678 N ARG A 110 -11.470 -3.580 -0.958 1.00 0.00 N ATOM 1679 CA ARG A 110 -11.951 -2.543 -1.855 1.00 0.00 C ATOM 1680 C ARG A 110 -12.176 -1.239 -1.088 1.00 0.00 C ATOM 1681 O ARG A 110 -13.167 -1.098 -0.372 1.00 0.00 O ATOM 1682 CB ARG A 110 -13.260 -2.963 -2.529 1.00 0.00 C ATOM 1683 CG ARG A 110 -13.272 -2.555 -4.004 1.00 0.00 C ATOM 1684 CD ARG A 110 -14.701 -2.320 -4.496 1.00 0.00 C ATOM 1685 NE ARG A 110 -14.768 -2.500 -5.963 1.00 0.00 N ATOM 1686 CZ ARG A 110 -14.686 -3.687 -6.579 1.00 0.00 C ATOM 1687 NH1 ARG A 110 -14.535 -4.806 -5.858 1.00 0.00 N ATOM 1688 NH2 ARG A 110 -14.756 -3.755 -7.915 1.00 0.00 N ATOM 0 H ARG A 110 -11.832 -4.514 -1.152 1.00 0.00 H new ATOM 0 HA ARG A 110 -11.192 -2.390 -2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -13.386 -4.042 -2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -14.103 -2.503 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.683 -1.648 -4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.800 -3.333 -4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -15.382 -3.015 -4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -15.025 -1.314 -4.230 1.00 0.00 H new ATOM 0 HE ARG A 110 -14.884 -1.668 -6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -14.483 -4.754 -4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -14.473 -5.710 -6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -14.872 -2.903 -8.464 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -14.694 -4.659 -8.384 1.00 0.00 H new ATOM 1702 N VAL A 111 -11.240 -0.318 -1.264 1.00 0.00 N ATOM 1703 CA VAL A 111 -11.324 0.970 -0.597 1.00 0.00 C ATOM 1704 C VAL A 111 -11.971 1.987 -1.539 1.00 0.00 C ATOM 1705 O VAL A 111 -11.457 2.245 -2.627 1.00 0.00 O ATOM 1706 CB VAL A 111 -9.937 1.401 -0.114 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -9.997 2.761 0.584 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -9.322 0.341 0.802 1.00 0.00 C ATOM 0 H VAL A 111 -10.420 -0.438 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.955 0.900 0.289 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.294 1.502 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -8.998 3.043 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.373 3.511 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.663 2.699 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.337 0.672 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.964 0.194 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.226 -0.599 0.258 1.00 0.00 H new ATOM 1718 N SER A 112 -13.088 2.537 -1.088 1.00 0.00 N ATOM 1719 CA SER A 112 -13.811 3.520 -1.878 1.00 0.00 C ATOM 1720 C SER A 112 -13.613 4.916 -1.285 1.00 0.00 C ATOM 1721 O SER A 112 -13.567 5.076 -0.066 1.00 0.00 O ATOM 1722 CB SER A 112 -15.301 3.180 -1.951 1.00 0.00 C ATOM 1723 OG SER A 112 -16.012 3.652 -0.809 1.00 0.00 O ATOM 0 H SER A 112 -13.511 2.321 -0.185 1.00 0.00 H new ATOM 0 HA SER A 112 -13.413 3.504 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.729 3.619 -2.852 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.423 2.100 -2.033 1.00 0.00 H new ATOM 0 HG SER A 112 -16.960 3.417 -0.894 1.00 0.00 H new ATOM 1729 N LEU A 113 -13.500 5.892 -2.174 1.00 0.00 N ATOM 1730 CA LEU A 113 -13.308 7.269 -1.754 1.00 0.00 C ATOM 1731 C LEU A 113 -14.672 7.930 -1.549 1.00 0.00 C ATOM 1732 O LEU A 113 -15.670 7.492 -2.119 1.00 0.00 O ATOM 1733 CB LEU A 113 -12.407 8.011 -2.744 1.00 0.00 C ATOM 1734 CG LEU A 113 -11.188 8.714 -2.144 1.00 0.00 C ATOM 1735 CD1 LEU A 113 -9.896 7.982 -2.513 1.00 0.00 C ATOM 1736 CD2 LEU A 113 -11.149 10.188 -2.554 1.00 0.00 C ATOM 0 H LEU A 113 -13.538 5.756 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.788 7.306 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -12.059 7.299 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -13.009 8.754 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.276 8.684 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.045 8.502 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -9.934 6.962 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.788 7.960 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -10.273 10.665 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -11.096 10.262 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -12.050 10.688 -2.200 1.00 0.00 H new ATOM 1748 N PRO A 114 -14.671 9.003 -0.713 1.00 0.00 N ATOM 1749 CA PRO A 114 -15.897 9.729 -0.426 1.00 0.00 C ATOM 1750 C PRO A 114 -16.303 10.609 -1.609 1.00 0.00 C ATOM 1751 O PRO A 114 -15.466 11.300 -2.189 1.00 0.00 O ATOM 1752 CB PRO A 114 -15.595 10.527 0.832 1.00 0.00 C ATOM 1753 CG PRO A 114 -14.080 10.582 0.939 1.00 0.00 C ATOM 1754 CD PRO A 114 -13.508 9.550 -0.020 1.00 0.00 C ATOM 0 HA PRO A 114 -16.750 9.069 -0.268 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -16.018 11.529 0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -16.031 10.051 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -13.715 11.578 0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -13.761 10.372 1.960 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -12.808 10.005 -0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -12.963 8.772 0.515 1.00 0.00 H new ATOM 1762 N GLU A 115 -17.586 10.555 -1.934 1.00 0.00 N ATOM 1763 CA GLU A 115 -18.113 11.338 -3.038 1.00 0.00 C ATOM 1764 C GLU A 115 -18.007 12.832 -2.726 1.00 0.00 C ATOM 1765 O GLU A 115 -18.414 13.277 -1.654 1.00 0.00 O ATOM 1766 CB GLU A 115 -19.558 10.944 -3.349 1.00 0.00 C ATOM 1767 CG GLU A 115 -19.869 11.131 -4.836 1.00 0.00 C ATOM 1768 CD GLU A 115 -19.209 12.400 -5.379 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -19.650 13.492 -4.962 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -18.278 12.248 -6.199 1.00 0.00 O ATOM 0 H GLU A 115 -18.277 9.980 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.515 11.128 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.724 9.904 -3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.240 11.549 -2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.517 10.265 -5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -20.948 11.187 -4.981 1.00 0.00 H new ATOM 1777 N SER A 116 -17.458 13.566 -3.683 1.00 0.00 N ATOM 1778 CA SER A 116 -17.294 15.001 -3.524 1.00 0.00 C ATOM 1779 C SER A 116 -18.574 15.725 -3.947 1.00 0.00 C ATOM 1780 O SER A 116 -18.789 15.973 -5.132 1.00 0.00 O ATOM 1781 CB SER A 116 -16.103 15.513 -4.337 1.00 0.00 C ATOM 1782 OG SER A 116 -15.928 16.920 -4.201 1.00 0.00 O ATOM 0 H SER A 116 -17.121 13.194 -4.571 1.00 0.00 H new ATOM 0 HA SER A 116 -17.098 15.207 -2.472 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.196 15.002 -4.013 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.249 15.266 -5.389 1.00 0.00 H new ATOM 0 HG SER A 116 -15.157 17.207 -4.734 1.00 0.00 H new ATOM 1788 N GLY A 117 -19.391 16.043 -2.953 1.00 0.00 N ATOM 1789 CA GLY A 117 -20.645 16.732 -3.207 1.00 0.00 C ATOM 1790 C GLY A 117 -21.632 16.515 -2.058 1.00 0.00 C ATOM 1791 O GLY A 117 -21.229 16.386 -0.904 1.00 0.00 O ATOM 0 H GLY A 117 -19.209 15.836 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -20.459 17.798 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -21.081 16.371 -4.139 1.00 0.00 H new ATOM 1795 N PRO A 118 -22.941 16.480 -2.425 1.00 0.00 N ATOM 1796 CA PRO A 118 -23.990 16.281 -1.439 1.00 0.00 C ATOM 1797 C PRO A 118 -24.043 14.821 -0.983 1.00 0.00 C ATOM 1798 O PRO A 118 -24.833 14.034 -1.501 1.00 0.00 O ATOM 1799 CB PRO A 118 -25.267 16.735 -2.126 1.00 0.00 C ATOM 1800 CG PRO A 118 -24.963 16.734 -3.615 1.00 0.00 C ATOM 1801 CD PRO A 118 -23.456 16.629 -3.783 1.00 0.00 C ATOM 0 HA PRO A 118 -23.822 16.850 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -26.094 16.063 -1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -25.560 17.729 -1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -25.461 15.898 -4.106 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -25.337 17.646 -4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -23.185 15.776 -4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -23.049 17.517 -4.266 1.00 0.00 H new ATOM 1809 N SER A 119 -23.191 14.505 -0.018 1.00 0.00 N ATOM 1810 CA SER A 119 -23.131 13.154 0.513 1.00 0.00 C ATOM 1811 C SER A 119 -23.060 13.195 2.041 1.00 0.00 C ATOM 1812 O SER A 119 -21.996 13.433 2.610 1.00 0.00 O ATOM 1813 CB SER A 119 -21.932 12.392 -0.054 1.00 0.00 C ATOM 1814 OG SER A 119 -22.005 10.997 0.228 1.00 0.00 O ATOM 0 H SER A 119 -22.537 15.161 0.409 1.00 0.00 H new ATOM 0 HA SER A 119 -24.037 12.628 0.212 1.00 0.00 H new ATOM 0 HB2 SER A 119 -21.884 12.542 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 119 -21.012 12.799 0.366 1.00 0.00 H new ATOM 0 HG SER A 119 -21.223 10.545 -0.152 1.00 0.00 H new ATOM 1820 N SER A 120 -24.207 12.960 2.662 1.00 0.00 N ATOM 1821 CA SER A 120 -24.288 12.968 4.112 1.00 0.00 C ATOM 1822 C SER A 120 -23.341 11.917 4.695 1.00 0.00 C ATOM 1823 O SER A 120 -23.530 10.720 4.481 1.00 0.00 O ATOM 1824 CB SER A 120 -25.720 12.712 4.585 1.00 0.00 C ATOM 1825 OG SER A 120 -25.917 13.119 5.937 1.00 0.00 O ATOM 0 H SER A 120 -25.088 12.763 2.187 1.00 0.00 H new ATOM 0 HA SER A 120 -23.988 13.954 4.466 1.00 0.00 H new ATOM 0 HB2 SER A 120 -26.416 13.248 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 120 -25.949 11.651 4.489 1.00 0.00 H new ATOM 0 HG SER A 120 -26.844 12.941 6.201 1.00 0.00 H new ATOM 1831 N GLY A 121 -22.343 12.402 5.419 1.00 0.00 N ATOM 1832 CA GLY A 121 -21.367 11.519 6.034 1.00 0.00 C ATOM 1833 C GLY A 121 -19.952 12.085 5.894 1.00 0.00 C ATOM 1834 O GLY A 121 -19.337 12.480 6.884 1.00 0.00 O ATOM 0 H GLY A 121 -22.189 13.395 5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -21.606 11.385 7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -21.417 10.535 5.568 1.00 0.00 H new TER 1838 GLY A 121