USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 771 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 -20 HIS :FLIP no HD1:sc=-0.00531 X(o=-0.94,f=-0.66) USER MOD Set 1.2: A -21 HIS :FLIP no HD1:sc= -0.588 F(o=-1.4,f=-0.66) USER MOD Set 1.3: A -22 HIS :FLIP no HD1:sc= -0.0708 X(o=-1.1,f=-0.66) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0.228 USER MOD Set 2.2: A 40 GLN : amide:sc= -9.4! C(o=-9.2!,f=-15!) USER MOD Set 3.1: A 6 HIS : no HE2:sc= 0.859 K(o=1.9,f=-9.7!) USER MOD Set 3.2: A 36 TYR OH : rot 80:sc= 1 USER MOD Single : A 9 SER OG : rot 110:sc= 1.19 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 MET CE :methyl 168:sc= -0.148 (180deg=-0.471) USER MOD Single : A -6 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.044) USER MOD Single : A -8 TYR OH : rot 43:sc= 0.0145 USER MOD Single : A 12 GLN : amide:sc= 1.77 K(o=1.8,f=-4.2!) USER MOD Single : A 13 GLN : amide:sc= -0.0401 K(o=-0.04,f=-1.1) USER MOD Single : A 15 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.019) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 28:sc= 1.27 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 120:sc= 0.996 USER MOD Single : A 29 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.49) USER MOD Single : A 32 HIS : no HE2:sc=-0.00266 X(o=-0.0027,f=-0.13) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0649 (180deg=-0.608) USER MOD Single : A 43 SER OG : rot 97:sc= 1.1 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.44 K(o=-0.44,f=-5!) USER MOD Single : A 47 GLN : amide:sc= -0.106 K(o=-0.11,f=-7.3!) USER MOD Single : A 58 MET CE :methyl 180:sc= -0.518 (180deg=-0.518) USER MOD Single : A 60 LYS NZ :NH3+ -127:sc= 0.593 (180deg=-0.796) USER MOD Single : A 61 SER OG : rot -95:sc= 1.29 USER MOD Single : A 65 SER OG : rot 180:sc= 0.101 USER MOD Single : A 69 ASN : amide:sc= -3.62! C(o=-3.6!,f=-9.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.174 USER MOD Single : A 72 SER OG : rot 180:sc= 0.104 USER MOD Single : A 73 SER OG : rot 160:sc= 1.31 USER MOD Single : A 76 THR OG1 : rot -120:sc= -0.035 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A -10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -12 THR OG1 : rot 180:sc= 0.0705 USER MOD Single : A -13 THR OG1 : rot 180:sc= 0.0466 USER MOD Single : A -17 TYR OH : rot 180:sc= 0 USER MOD Single : A -19 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.1!) USER MOD Single : A -23 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.42) USER MOD Single : A -24 HIS : no HD1:sc= -0.0895 X(o=-0.09,f=-0.45) USER MOD Single : A -25 TYR OH : rot 180:sc= 0 USER MOD Single : A -26 TYR OH : rot 180:sc= 0 USER MOD Single : A -27 SER N :NH3+ 152:sc= 1.45 (180deg=1.08) USER MOD Single : A -27 SER OG : rot 180:sc= 0.179 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -27 -48.506 -14.952 -12.689 1.00 0.00 N ATOM 2 CA SER A -27 -48.826 -13.890 -11.695 1.00 0.00 C ATOM 3 C SER A -27 -49.624 -14.484 -10.527 1.00 0.00 C ATOM 4 O SER A -27 -50.504 -15.302 -10.730 1.00 0.00 O ATOM 5 CB SER A -27 -49.670 -12.869 -12.466 1.00 0.00 C ATOM 6 OG SER A -27 -49.141 -12.713 -13.785 1.00 0.00 O ATOM 0 H1 SER A -27 -48.413 -14.527 -13.633 1.00 0.00 H new ATOM 0 H2 SER A -27 -47.612 -15.414 -12.428 1.00 0.00 H new ATOM 0 H3 SER A -27 -49.270 -15.658 -12.701 1.00 0.00 H new ATOM 0 HA SER A -27 -47.932 -13.436 -11.268 1.00 0.00 H new ATOM 0 HB2 SER A -27 -50.707 -13.201 -12.515 1.00 0.00 H new ATOM 0 HB3 SER A -27 -49.667 -11.911 -11.946 1.00 0.00 H new ATOM 0 HG SER A -27 -49.681 -12.062 -14.279 1.00 0.00 H new ATOM 14 N TYR A -26 -49.320 -14.080 -9.312 1.00 0.00 N ATOM 15 CA TYR A -26 -50.043 -14.604 -8.104 1.00 0.00 C ATOM 16 C TYR A -26 -49.842 -16.117 -7.972 1.00 0.00 C ATOM 17 O TYR A -26 -49.060 -16.574 -7.160 1.00 0.00 O ATOM 18 CB TYR A -26 -51.526 -14.262 -8.316 1.00 0.00 C ATOM 19 CG TYR A -26 -52.010 -13.377 -7.193 1.00 0.00 C ATOM 20 CD1 TYR A -26 -52.429 -13.944 -5.984 1.00 0.00 C ATOM 21 CD2 TYR A -26 -52.042 -11.988 -7.361 1.00 0.00 C ATOM 22 CE1 TYR A -26 -52.876 -13.124 -4.945 1.00 0.00 C ATOM 23 CE2 TYR A -26 -52.490 -11.167 -6.322 1.00 0.00 C ATOM 24 CZ TYR A -26 -52.907 -11.734 -5.115 1.00 0.00 C ATOM 25 OH TYR A -26 -53.339 -10.920 -4.088 1.00 0.00 O ATOM 0 H TYR A -26 -48.590 -13.399 -9.104 1.00 0.00 H new ATOM 0 HA TYR A -26 -49.664 -14.157 -7.185 1.00 0.00 H new ATOM 0 HB2 TYR A -26 -51.660 -13.757 -9.273 1.00 0.00 H new ATOM 0 HB3 TYR A -26 -52.118 -15.176 -8.352 1.00 0.00 H new ATOM 0 HD1 TYR A -26 -52.407 -15.016 -5.854 1.00 0.00 H new ATOM 0 HD2 TYR A -26 -51.720 -11.550 -8.294 1.00 0.00 H new ATOM 0 HE1 TYR A -26 -53.197 -13.562 -4.011 1.00 0.00 H new ATOM 0 HE2 TYR A -26 -52.514 -10.095 -6.452 1.00 0.00 H new ATOM 0 HH TYR A -26 -53.296 -9.983 -4.373 1.00 0.00 H new ATOM 35 N TYR A -25 -50.519 -16.895 -8.777 1.00 0.00 N ATOM 36 CA TYR A -25 -50.345 -18.379 -8.708 1.00 0.00 C ATOM 37 C TYR A -25 -48.957 -18.713 -9.246 1.00 0.00 C ATOM 38 O TYR A -25 -48.106 -19.203 -8.530 1.00 0.00 O ATOM 39 CB TYR A -25 -51.448 -19.004 -9.591 1.00 0.00 C ATOM 40 CG TYR A -25 -52.731 -18.198 -9.504 1.00 0.00 C ATOM 41 CD1 TYR A -25 -53.338 -17.962 -8.263 1.00 0.00 C ATOM 42 CD2 TYR A -25 -53.302 -17.670 -10.672 1.00 0.00 C ATOM 43 CE1 TYR A -25 -54.513 -17.203 -8.192 1.00 0.00 C ATOM 44 CE2 TYR A -25 -54.472 -16.910 -10.597 1.00 0.00 C ATOM 45 CZ TYR A -25 -55.078 -16.677 -9.360 1.00 0.00 C ATOM 46 OH TYR A -25 -56.232 -15.928 -9.293 1.00 0.00 O ATOM 0 H TYR A -25 -51.184 -16.569 -9.478 1.00 0.00 H new ATOM 0 HA TYR A -25 -50.428 -18.765 -7.692 1.00 0.00 H new ATOM 0 HB2 TYR A -25 -51.110 -19.047 -10.626 1.00 0.00 H new ATOM 0 HB3 TYR A -25 -51.636 -20.030 -9.274 1.00 0.00 H new ATOM 0 HD1 TYR A -25 -52.900 -18.365 -7.362 1.00 0.00 H new ATOM 0 HD2 TYR A -25 -52.837 -17.851 -11.630 1.00 0.00 H new ATOM 0 HE1 TYR A -25 -54.983 -17.024 -7.236 1.00 0.00 H new ATOM 0 HE2 TYR A -25 -54.909 -16.502 -11.497 1.00 0.00 H new ATOM 0 HH TYR A -25 -56.487 -15.639 -10.194 1.00 0.00 H new ATOM 56 N HIS A -24 -48.706 -18.411 -10.493 1.00 0.00 N ATOM 57 CA HIS A -24 -47.355 -18.674 -11.059 1.00 0.00 C ATOM 58 C HIS A -24 -46.542 -17.381 -10.965 1.00 0.00 C ATOM 59 O HIS A -24 -46.642 -16.509 -11.810 1.00 0.00 O ATOM 60 CB HIS A -24 -47.577 -19.086 -12.519 1.00 0.00 C ATOM 61 CG HIS A -24 -46.269 -19.538 -13.123 1.00 0.00 C ATOM 62 ND1 HIS A -24 -45.223 -20.038 -12.357 1.00 0.00 N ATOM 63 CD2 HIS A -24 -45.818 -19.555 -14.421 1.00 0.00 C ATOM 64 CE1 HIS A -24 -44.210 -20.327 -13.192 1.00 0.00 C ATOM 65 NE2 HIS A -24 -44.519 -20.053 -14.462 1.00 0.00 N ATOM 0 H HIS A -24 -49.377 -17.995 -11.140 1.00 0.00 H new ATOM 0 HA HIS A -24 -46.813 -19.457 -10.528 1.00 0.00 H new ATOM 0 HB2 HIS A -24 -48.311 -19.890 -12.573 1.00 0.00 H new ATOM 0 HB3 HIS A -24 -47.981 -18.248 -13.087 1.00 0.00 H new ATOM 0 HD2 HIS A -24 -46.386 -19.231 -15.280 1.00 0.00 H new ATOM 0 HE1 HIS A -24 -43.261 -20.732 -12.874 1.00 0.00 H new ATOM 0 HE2 HIS A -24 -43.930 -20.181 -15.285 1.00 0.00 H new ATOM 73 N HIS A -23 -45.759 -17.239 -9.932 1.00 0.00 N ATOM 74 CA HIS A -23 -44.949 -15.997 -9.763 1.00 0.00 C ATOM 75 C HIS A -23 -43.522 -16.231 -10.256 1.00 0.00 C ATOM 76 O HIS A -23 -43.158 -17.331 -10.636 1.00 0.00 O ATOM 77 CB HIS A -23 -44.943 -15.724 -8.253 1.00 0.00 C ATOM 78 CG HIS A -23 -45.733 -14.479 -7.953 1.00 0.00 C ATOM 79 ND1 HIS A -23 -46.643 -14.416 -6.908 1.00 0.00 N ATOM 80 CD2 HIS A -23 -45.756 -13.240 -8.542 1.00 0.00 C ATOM 81 CE1 HIS A -23 -47.167 -13.177 -6.902 1.00 0.00 C ATOM 82 NE2 HIS A -23 -46.661 -12.420 -7.876 1.00 0.00 N ATOM 0 H HIS A -23 -45.644 -17.933 -9.193 1.00 0.00 H new ATOM 0 HA HIS A -23 -45.358 -15.161 -10.330 1.00 0.00 H new ATOM 0 HB2 HIS A -23 -45.370 -16.573 -7.720 1.00 0.00 H new ATOM 0 HB3 HIS A -23 -43.918 -15.609 -7.900 1.00 0.00 H new ATOM 0 HD2 HIS A -23 -45.161 -12.946 -9.394 1.00 0.00 H new ATOM 0 HE1 HIS A -23 -47.908 -12.837 -6.194 1.00 0.00 H new ATOM 0 HE2 HIS A -23 -46.889 -11.448 -8.087 1.00 0.00 H new ATOM 90 N HIS A -22 -42.704 -15.213 -10.235 1.00 0.00 N ATOM 91 CA HIS A -22 -41.291 -15.378 -10.683 1.00 0.00 C ATOM 92 C HIS A -22 -40.361 -15.287 -9.469 1.00 0.00 C ATOM 93 O HIS A -22 -40.722 -14.743 -8.438 1.00 0.00 O ATOM 94 CB HIS A -22 -41.031 -14.224 -11.659 1.00 0.00 C ATOM 95 CG HIS A -22 -39.864 -14.566 -12.541 1.00 0.00 C ATOM 96 ND1 HIS A -22 -39.448 -15.751 -13.098 1.00 0.00 N flip ATOM 97 CD2 HIS A -22 -38.953 -13.612 -12.962 1.00 0.00 C flip ATOM 98 CE1 HIS A -22 -38.300 -15.536 -13.850 1.00 0.00 C flip ATOM 99 NE2 HIS A -22 -38.045 -14.232 -13.734 1.00 0.00 N flip ATOM 0 H HIS A -22 -42.954 -14.273 -9.927 1.00 0.00 H new ATOM 0 HA HIS A -22 -41.113 -16.342 -11.160 1.00 0.00 H new ATOM 0 HB2 HIS A -22 -41.918 -14.040 -12.266 1.00 0.00 H new ATOM 0 HB3 HIS A -22 -40.827 -13.306 -11.107 1.00 0.00 H new ATOM 0 HD2 HIS A -22 -38.969 -12.561 -12.715 1.00 0.00 H new ATOM 0 HE1 HIS A -22 -37.735 -16.268 -14.409 1.00 0.00 H new ATOM 0 HE2 HIS A -22 -37.256 -13.762 -14.178 1.00 0.00 H new ATOM 107 N HIS A -21 -39.177 -15.822 -9.582 1.00 0.00 N ATOM 108 CA HIS A -21 -38.211 -15.789 -8.433 1.00 0.00 C ATOM 109 C HIS A -21 -37.355 -14.509 -8.454 1.00 0.00 C ATOM 110 O HIS A -21 -36.359 -14.422 -7.756 1.00 0.00 O ATOM 111 CB HIS A -21 -37.313 -17.025 -8.621 1.00 0.00 C ATOM 112 CG HIS A -21 -36.708 -17.016 -10.004 1.00 0.00 C ATOM 113 ND1 HIS A -21 -35.939 -16.090 -10.665 1.00 0.00 N flip ATOM 114 CD2 HIS A -21 -36.913 -18.049 -10.905 1.00 0.00 C flip ATOM 115 CE1 HIS A -21 -35.676 -16.536 -11.956 1.00 0.00 C flip ATOM 116 NE2 HIS A -21 -36.287 -17.720 -12.048 1.00 0.00 N flip ATOM 0 H HIS A -21 -38.830 -16.284 -10.422 1.00 0.00 H new ATOM 0 HA HIS A -21 -38.737 -15.796 -7.478 1.00 0.00 H new ATOM 0 HB2 HIS A -21 -36.524 -17.029 -7.869 1.00 0.00 H new ATOM 0 HB3 HIS A -21 -37.896 -17.934 -8.476 1.00 0.00 H new ATOM 0 HD2 HIS A -21 -37.474 -18.954 -10.722 1.00 0.00 H new ATOM 0 HE1 HIS A -21 -35.101 -16.033 -12.720 1.00 0.00 H new ATOM 0 HE2 HIS A -21 -36.279 -18.304 -12.884 1.00 0.00 H new ATOM 124 N HIS A -20 -37.719 -13.522 -9.237 1.00 0.00 N ATOM 125 CA HIS A -20 -36.904 -12.265 -9.285 1.00 0.00 C ATOM 126 C HIS A -20 -37.083 -11.458 -7.996 1.00 0.00 C ATOM 127 O HIS A -20 -37.890 -10.549 -7.925 1.00 0.00 O ATOM 128 CB HIS A -20 -37.425 -11.476 -10.490 1.00 0.00 C ATOM 129 CG HIS A -20 -36.453 -11.598 -11.629 1.00 0.00 C ATOM 130 ND1 HIS A -20 -35.806 -12.682 -12.167 1.00 0.00 N flip ATOM 131 CD2 HIS A -20 -36.039 -10.503 -12.375 1.00 0.00 C flip ATOM 132 CE1 HIS A -20 -35.006 -12.271 -13.227 1.00 0.00 C flip ATOM 133 NE2 HIS A -20 -35.184 -10.951 -13.312 1.00 0.00 N flip ATOM 0 H HIS A -20 -38.540 -13.531 -9.842 1.00 0.00 H new ATOM 0 HA HIS A -20 -35.840 -12.481 -9.378 1.00 0.00 H new ATOM 0 HB2 HIS A -20 -38.402 -11.854 -10.790 1.00 0.00 H new ATOM 0 HB3 HIS A -20 -37.557 -10.428 -10.222 1.00 0.00 H new ATOM 0 HD2 HIS A -20 -36.347 -9.478 -12.230 1.00 0.00 H new ATOM 0 HE1 HIS A -20 -34.375 -12.888 -13.849 1.00 0.00 H new ATOM 0 HE2 HIS A -20 -34.728 -10.355 -14.003 1.00 0.00 H new ATOM 141 N HIS A -19 -36.328 -11.786 -6.983 1.00 0.00 N ATOM 142 CA HIS A -19 -36.435 -11.045 -5.689 1.00 0.00 C ATOM 143 C HIS A -19 -35.585 -9.779 -5.761 1.00 0.00 C ATOM 144 O HIS A -19 -34.414 -9.786 -5.430 1.00 0.00 O ATOM 145 CB HIS A -19 -35.890 -11.998 -4.622 1.00 0.00 C ATOM 146 CG HIS A -19 -36.922 -13.049 -4.298 1.00 0.00 C ATOM 147 ND1 HIS A -19 -37.184 -14.119 -5.141 1.00 0.00 N ATOM 148 CD2 HIS A -19 -37.760 -13.204 -3.223 1.00 0.00 C ATOM 149 CE1 HIS A -19 -38.143 -14.864 -4.559 1.00 0.00 C ATOM 150 NE2 HIS A -19 -38.529 -14.350 -3.390 1.00 0.00 N ATOM 0 H HIS A -19 -35.639 -12.538 -6.994 1.00 0.00 H new ATOM 0 HA HIS A -19 -37.459 -10.745 -5.465 1.00 0.00 H new ATOM 0 HB2 HIS A -19 -34.975 -12.472 -4.978 1.00 0.00 H new ATOM 0 HB3 HIS A -19 -35.631 -11.440 -3.722 1.00 0.00 H new ATOM 0 HD1 HIS A -19 -36.733 -14.307 -6.037 1.00 0.00 H new ATOM 0 HD2 HIS A -19 -37.814 -12.537 -2.375 1.00 0.00 H new ATOM 0 HE1 HIS A -19 -38.550 -15.768 -4.987 1.00 0.00 H new ATOM 158 N ASP A -18 -36.163 -8.692 -6.197 1.00 0.00 N ATOM 159 CA ASP A -18 -35.384 -7.420 -6.299 1.00 0.00 C ATOM 160 C ASP A -18 -35.063 -6.876 -4.905 1.00 0.00 C ATOM 161 O ASP A -18 -35.881 -6.228 -4.275 1.00 0.00 O ATOM 162 CB ASP A -18 -36.285 -6.444 -7.063 1.00 0.00 C ATOM 163 CG ASP A -18 -35.423 -5.467 -7.863 1.00 0.00 C ATOM 164 OD1 ASP A -18 -34.464 -4.955 -7.314 1.00 0.00 O ATOM 165 OD2 ASP A -18 -35.738 -5.246 -9.014 1.00 0.00 O ATOM 0 H ASP A -18 -37.139 -8.628 -6.487 1.00 0.00 H new ATOM 0 HA ASP A -18 -34.432 -7.570 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A -18 -36.947 -6.993 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A -18 -36.920 -5.897 -6.365 1.00 0.00 H new ATOM 170 N TYR A -17 -33.880 -7.128 -4.419 1.00 0.00 N ATOM 171 CA TYR A -17 -33.503 -6.620 -3.069 1.00 0.00 C ATOM 172 C TYR A -17 -32.452 -5.518 -3.196 1.00 0.00 C ATOM 173 O TYR A -17 -31.755 -5.423 -4.192 1.00 0.00 O ATOM 174 CB TYR A -17 -32.927 -7.826 -2.324 1.00 0.00 C ATOM 175 CG TYR A -17 -33.179 -7.653 -0.847 1.00 0.00 C ATOM 176 CD1 TYR A -17 -34.375 -8.114 -0.285 1.00 0.00 C ATOM 177 CD2 TYR A -17 -32.223 -7.018 -0.042 1.00 0.00 C ATOM 178 CE1 TYR A -17 -34.615 -7.941 1.083 1.00 0.00 C ATOM 179 CE2 TYR A -17 -32.466 -6.845 1.324 1.00 0.00 C ATOM 180 CZ TYR A -17 -33.660 -7.305 1.886 1.00 0.00 C ATOM 181 OH TYR A -17 -33.894 -7.130 3.233 1.00 0.00 O ATOM 0 H TYR A -17 -33.157 -7.664 -4.898 1.00 0.00 H new ATOM 0 HA TYR A -17 -34.355 -6.192 -2.542 1.00 0.00 H new ATOM 0 HB2 TYR A -17 -33.391 -8.746 -2.680 1.00 0.00 H new ATOM 0 HB3 TYR A -17 -31.858 -7.913 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A -17 -35.111 -8.602 -0.906 1.00 0.00 H new ATOM 0 HD2 TYR A -17 -31.300 -6.663 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A -17 -35.536 -8.298 1.519 1.00 0.00 H new ATOM 0 HE2 TYR A -17 -31.731 -6.356 1.945 1.00 0.00 H new ATOM 0 HH TYR A -17 -33.129 -6.672 3.641 1.00 0.00 H new ATOM 191 N ASP A -16 -32.324 -4.693 -2.189 1.00 0.00 N ATOM 192 CA ASP A -16 -31.314 -3.606 -2.230 1.00 0.00 C ATOM 193 C ASP A -16 -29.955 -4.201 -1.907 1.00 0.00 C ATOM 194 O ASP A -16 -29.624 -4.441 -0.762 1.00 0.00 O ATOM 195 CB ASP A -16 -31.720 -2.590 -1.152 1.00 0.00 C ATOM 196 CG ASP A -16 -30.716 -1.435 -1.137 1.00 0.00 C ATOM 197 OD1 ASP A -16 -30.754 -0.630 -2.045 1.00 0.00 O ATOM 198 OD2 ASP A -16 -29.923 -1.370 -0.214 1.00 0.00 O ATOM 0 H ASP A -16 -32.882 -4.730 -1.336 1.00 0.00 H new ATOM 0 HA ASP A -16 -31.262 -3.126 -3.207 1.00 0.00 H new ATOM 0 HB2 ASP A -16 -32.723 -2.212 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP A -16 -31.750 -3.073 -0.175 1.00 0.00 H new ATOM 203 N ILE A -15 -29.176 -4.453 -2.907 1.00 0.00 N ATOM 204 CA ILE A -15 -27.830 -5.043 -2.669 1.00 0.00 C ATOM 205 C ILE A -15 -26.900 -3.948 -2.137 1.00 0.00 C ATOM 206 O ILE A -15 -26.892 -2.842 -2.653 1.00 0.00 O ATOM 207 CB ILE A -15 -27.354 -5.556 -4.037 1.00 0.00 C ATOM 208 CG1 ILE A -15 -28.401 -6.508 -4.622 1.00 0.00 C ATOM 209 CG2 ILE A -15 -26.033 -6.313 -3.884 1.00 0.00 C ATOM 210 CD1 ILE A -15 -28.122 -6.723 -6.109 1.00 0.00 C ATOM 0 H ILE A -15 -29.407 -4.278 -3.885 1.00 0.00 H new ATOM 0 HA ILE A -15 -27.843 -5.851 -1.938 1.00 0.00 H new ATOM 0 HB ILE A -15 -27.212 -4.703 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE A -15 -28.375 -7.462 -4.095 1.00 0.00 H new ATOM 0 HG13 ILE A -15 -29.400 -6.095 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A -15 -25.704 -6.672 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A -15 -25.277 -5.646 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A -15 -26.175 -7.161 -3.214 1.00 0.00 H new ATOM 0 HD11 ILE A -15 -28.868 -7.401 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE A -15 -28.170 -5.767 -6.630 1.00 0.00 H new ATOM 0 HD13 ILE A -15 -27.129 -7.155 -6.234 1.00 0.00 H new ATOM 222 N PRO A -14 -26.160 -4.275 -1.107 1.00 0.00 N ATOM 223 CA PRO A -14 -25.233 -3.290 -0.495 1.00 0.00 C ATOM 224 C PRO A -14 -24.116 -2.909 -1.467 1.00 0.00 C ATOM 225 O PRO A -14 -23.331 -3.740 -1.892 1.00 0.00 O ATOM 226 CB PRO A -14 -24.688 -4.020 0.732 1.00 0.00 C ATOM 227 CG PRO A -14 -24.853 -5.467 0.414 1.00 0.00 C ATOM 228 CD PRO A -14 -26.096 -5.576 -0.429 1.00 0.00 C ATOM 0 HA PRO A -14 -25.721 -2.350 -0.237 1.00 0.00 H new ATOM 0 HB2 PRO A -14 -23.642 -3.770 0.910 1.00 0.00 H new ATOM 0 HB3 PRO A -14 -25.238 -3.747 1.632 1.00 0.00 H new ATOM 0 HG2 PRO A -14 -23.985 -5.848 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A -14 -24.949 -6.057 1.326 1.00 0.00 H new ATOM 0 HD2 PRO A -14 -26.028 -6.398 -1.142 1.00 0.00 H new ATOM 0 HD3 PRO A -14 -26.981 -5.756 0.181 1.00 0.00 H new ATOM 236 N THR A -13 -24.036 -1.652 -1.815 1.00 0.00 N ATOM 237 CA THR A -13 -22.971 -1.193 -2.752 1.00 0.00 C ATOM 238 C THR A -13 -21.590 -1.358 -2.102 1.00 0.00 C ATOM 239 O THR A -13 -21.474 -1.667 -0.929 1.00 0.00 O ATOM 240 CB THR A -13 -23.277 0.281 -3.024 1.00 0.00 C ATOM 241 OG1 THR A -13 -23.616 0.944 -1.806 1.00 0.00 O ATOM 242 CG2 THR A -13 -24.447 0.388 -4.003 1.00 0.00 C ATOM 0 H THR A -13 -24.667 -0.920 -1.488 1.00 0.00 H new ATOM 0 HA THR A -13 -22.955 -1.772 -3.675 1.00 0.00 H new ATOM 0 HB THR A -13 -22.394 0.753 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A -13 -23.809 1.887 -1.990 1.00 0.00 H new ATOM 0 HG21 THR A -13 -24.665 1.438 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A -13 -24.185 -0.107 -4.938 1.00 0.00 H new ATOM 0 HG23 THR A -13 -25.326 -0.091 -3.573 1.00 0.00 H new ATOM 250 N THR A -12 -20.542 -1.145 -2.843 1.00 0.00 N ATOM 251 CA THR A -12 -19.176 -1.282 -2.259 1.00 0.00 C ATOM 252 C THR A -12 -18.928 -0.140 -1.277 1.00 0.00 C ATOM 253 O THR A -12 -18.579 -0.355 -0.132 1.00 0.00 O ATOM 254 CB THR A -12 -18.227 -1.191 -3.457 1.00 0.00 C ATOM 255 OG1 THR A -12 -18.617 -0.101 -4.286 1.00 0.00 O ATOM 256 CG2 THR A -12 -18.304 -2.481 -4.268 1.00 0.00 C ATOM 0 H THR A -12 -20.569 -0.882 -3.828 1.00 0.00 H new ATOM 0 HA THR A -12 -19.038 -2.213 -1.710 1.00 0.00 H new ATOM 0 HB THR A -12 -17.208 -1.041 -3.100 1.00 0.00 H new ATOM 0 HG1 THR A -12 -18.010 -0.040 -5.053 1.00 0.00 H new ATOM 0 HG21 THR A -12 -17.628 -2.416 -5.121 1.00 0.00 H new ATOM 0 HG22 THR A -12 -18.015 -3.324 -3.640 1.00 0.00 H new ATOM 0 HG23 THR A -12 -19.324 -2.627 -4.624 1.00 0.00 H new ATOM 264 N GLU A -11 -19.124 1.075 -1.716 1.00 0.00 N ATOM 265 CA GLU A -11 -18.904 2.245 -0.811 1.00 0.00 C ATOM 266 C GLU A -11 -19.954 2.313 0.302 1.00 0.00 C ATOM 267 O GLU A -11 -19.944 3.231 1.105 1.00 0.00 O ATOM 268 CB GLU A -11 -18.988 3.488 -1.702 1.00 0.00 C ATOM 269 CG GLU A -11 -17.719 3.605 -2.557 1.00 0.00 C ATOM 270 CD GLU A -11 -16.485 3.636 -1.655 1.00 0.00 C ATOM 271 OE1 GLU A -11 -16.233 4.669 -1.055 1.00 0.00 O ATOM 272 OE2 GLU A -11 -15.815 2.627 -1.573 1.00 0.00 O ATOM 0 H GLU A -11 -19.427 1.310 -2.661 1.00 0.00 H new ATOM 0 HA GLU A -11 -17.939 2.165 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A -11 -19.866 3.426 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A -11 -19.106 4.380 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A -11 -17.655 2.763 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A -11 -17.760 4.510 -3.163 1.00 0.00 H new ATOM 279 N ASN A -10 -20.844 1.355 0.393 1.00 0.00 N ATOM 280 CA ASN A -10 -21.857 1.397 1.498 1.00 0.00 C ATOM 281 C ASN A -10 -21.144 1.344 2.857 1.00 0.00 C ATOM 282 O ASN A -10 -21.705 1.672 3.886 1.00 0.00 O ATOM 283 CB ASN A -10 -22.783 0.184 1.281 1.00 0.00 C ATOM 284 CG ASN A -10 -22.592 -0.842 2.404 1.00 0.00 C ATOM 285 OD1 ASN A -10 -23.330 -0.844 3.372 1.00 0.00 O ATOM 286 ND2 ASN A -10 -21.627 -1.710 2.317 1.00 0.00 N ATOM 0 H ASN A -10 -20.915 0.557 -0.238 1.00 0.00 H new ATOM 0 HA ASN A -10 -22.441 2.317 1.490 1.00 0.00 H new ATOM 0 HB2 ASN A -10 -23.822 0.512 1.252 1.00 0.00 H new ATOM 0 HB3 ASN A -10 -22.568 -0.278 0.317 1.00 0.00 H new ATOM 0 HD21 ASN A -10 -21.488 -2.394 3.061 1.00 0.00 H new ATOM 0 HD22 ASN A -10 -21.010 -1.707 1.505 1.00 0.00 H new ATOM 293 N LEU A -9 -19.905 0.957 2.853 1.00 0.00 N ATOM 294 CA LEU A -9 -19.120 0.896 4.119 1.00 0.00 C ATOM 295 C LEU A -9 -18.549 2.289 4.457 1.00 0.00 C ATOM 296 O LEU A -9 -17.964 2.483 5.509 1.00 0.00 O ATOM 297 CB LEU A -9 -17.994 -0.110 3.837 1.00 0.00 C ATOM 298 CG LEU A -9 -17.208 -0.410 5.117 1.00 0.00 C ATOM 299 CD1 LEU A -9 -18.166 -0.654 6.283 1.00 0.00 C ATOM 300 CD2 LEU A -9 -16.362 -1.668 4.905 1.00 0.00 C ATOM 0 H LEU A -9 -19.392 0.676 2.017 1.00 0.00 H new ATOM 0 HA LEU A -9 -19.725 0.593 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A -9 -18.415 -1.033 3.437 1.00 0.00 H new ATOM 0 HB3 LEU A -9 -17.323 0.290 3.077 1.00 0.00 H new ATOM 0 HG LEU A -9 -16.570 0.443 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A -9 -17.594 -0.866 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A -9 -18.779 0.233 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A -9 -18.809 -1.503 6.054 1.00 0.00 H new ATOM 0 HD21 LEU A -9 -15.800 -1.886 5.813 1.00 0.00 H new ATOM 0 HD22 LEU A -9 -17.014 -2.510 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A -9 -15.669 -1.505 4.080 1.00 0.00 H new ATOM 312 N TYR A -8 -18.719 3.268 3.585 1.00 0.00 N ATOM 313 CA TYR A -8 -18.186 4.640 3.881 1.00 0.00 C ATOM 314 C TYR A -8 -18.846 5.222 5.133 1.00 0.00 C ATOM 315 O TYR A -8 -18.360 6.164 5.724 1.00 0.00 O ATOM 316 CB TYR A -8 -18.512 5.490 2.643 1.00 0.00 C ATOM 317 CG TYR A -8 -17.561 6.665 2.561 1.00 0.00 C ATOM 318 CD1 TYR A -8 -17.709 7.753 3.433 1.00 0.00 C ATOM 319 CD2 TYR A -8 -16.523 6.663 1.624 1.00 0.00 C ATOM 320 CE1 TYR A -8 -16.823 8.833 3.365 1.00 0.00 C ATOM 321 CE2 TYR A -8 -15.639 7.745 1.553 1.00 0.00 C ATOM 322 CZ TYR A -8 -15.788 8.828 2.427 1.00 0.00 C ATOM 323 OH TYR A -8 -14.910 9.889 2.369 1.00 0.00 O ATOM 0 H TYR A -8 -19.200 3.173 2.690 1.00 0.00 H new ATOM 0 HA TYR A -8 -17.114 4.619 4.079 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -18.431 4.882 1.742 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -19.541 5.846 2.696 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -18.509 7.757 4.159 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -16.404 5.825 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -16.939 9.670 4.037 1.00 0.00 H new ATOM 0 HE2 TYR A -8 -14.842 7.745 0.824 1.00 0.00 H new ATOM 0 HH TYR A -8 -14.660 10.157 3.278 1.00 0.00 H new ATOM 333 N PHE A -7 -19.933 4.649 5.545 1.00 0.00 N ATOM 334 CA PHE A -7 -20.635 5.139 6.770 1.00 0.00 C ATOM 335 C PHE A -7 -19.675 5.113 7.958 1.00 0.00 C ATOM 336 O PHE A -7 -19.370 6.134 8.543 1.00 0.00 O ATOM 337 CB PHE A -7 -21.797 4.165 6.985 1.00 0.00 C ATOM 338 CG PHE A -7 -23.028 4.695 6.288 1.00 0.00 C ATOM 339 CD1 PHE A -7 -23.613 5.898 6.712 1.00 0.00 C ATOM 340 CD2 PHE A -7 -23.587 3.987 5.216 1.00 0.00 C ATOM 341 CE1 PHE A -7 -24.755 6.386 6.069 1.00 0.00 C ATOM 342 CE2 PHE A -7 -24.730 4.479 4.573 1.00 0.00 C ATOM 343 CZ PHE A -7 -25.314 5.676 4.997 1.00 0.00 C ATOM 0 H PHE A -7 -20.376 3.853 5.086 1.00 0.00 H new ATOM 0 HA PHE A -7 -20.990 6.164 6.667 1.00 0.00 H new ATOM 0 HB2 PHE A -7 -21.539 3.181 6.594 1.00 0.00 H new ATOM 0 HB3 PHE A -7 -21.992 4.043 8.050 1.00 0.00 H new ATOM 0 HD1 PHE A -7 -23.181 6.447 7.535 1.00 0.00 H new ATOM 0 HD2 PHE A -7 -23.137 3.063 4.886 1.00 0.00 H new ATOM 0 HE1 PHE A -7 -25.207 7.310 6.398 1.00 0.00 H new ATOM 0 HE2 PHE A -7 -25.161 3.932 3.748 1.00 0.00 H new ATOM 0 HZ PHE A -7 -26.195 6.054 4.499 1.00 0.00 H new ATOM 353 N GLN A -6 -19.177 3.957 8.304 1.00 0.00 N ATOM 354 CA GLN A -6 -18.218 3.868 9.451 1.00 0.00 C ATOM 355 C GLN A -6 -16.766 3.956 8.968 1.00 0.00 C ATOM 356 O GLN A -6 -15.845 4.034 9.760 1.00 0.00 O ATOM 357 CB GLN A -6 -18.506 2.526 10.146 1.00 0.00 C ATOM 358 CG GLN A -6 -18.282 1.355 9.179 1.00 0.00 C ATOM 359 CD GLN A -6 -19.306 0.249 9.468 1.00 0.00 C ATOM 360 OE1 GLN A -6 -18.940 -0.888 9.700 1.00 0.00 O ATOM 361 NE2 GLN A -6 -20.580 0.530 9.466 1.00 0.00 N ATOM 0 H GLN A -6 -19.390 3.071 7.846 1.00 0.00 H new ATOM 0 HA GLN A -6 -18.350 4.699 10.143 1.00 0.00 H new ATOM 0 HB2 GLN A -6 -17.858 2.415 11.016 1.00 0.00 H new ATOM 0 HB3 GLN A -6 -19.533 2.512 10.510 1.00 0.00 H new ATOM 0 HG2 GLN A -6 -18.381 1.696 8.149 1.00 0.00 H new ATOM 0 HG3 GLN A -6 -17.270 0.966 9.290 1.00 0.00 H new ATOM 0 HE21 GLN A -6 -20.892 1.482 9.272 1.00 0.00 H new ATOM 0 HE22 GLN A -6 -21.264 -0.202 9.658 1.00 0.00 H new ATOM 370 N GLY A -5 -16.560 3.972 7.685 1.00 0.00 N ATOM 371 CA GLY A -5 -15.173 4.083 7.139 1.00 0.00 C ATOM 372 C GLY A -5 -15.064 5.386 6.345 1.00 0.00 C ATOM 373 O GLY A -5 -14.543 5.412 5.245 1.00 0.00 O ATOM 0 H GLY A -5 -17.296 3.913 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A -5 -14.445 4.072 7.950 1.00 0.00 H new ATOM 0 HA3 GLY A -5 -14.949 3.230 6.499 1.00 0.00 H new ATOM 377 N ALA A -4 -15.576 6.464 6.884 1.00 0.00 N ATOM 378 CA ALA A -4 -15.523 7.771 6.160 1.00 0.00 C ATOM 379 C ALA A -4 -14.166 8.457 6.352 1.00 0.00 C ATOM 380 O ALA A -4 -13.730 8.672 7.469 1.00 0.00 O ATOM 381 CB ALA A -4 -16.640 8.617 6.783 1.00 0.00 C ATOM 0 H ALA A -4 -16.030 6.495 7.797 1.00 0.00 H new ATOM 0 HA ALA A -4 -15.652 7.639 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -16.666 9.595 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -17.598 8.117 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -16.451 8.741 7.849 1.00 0.00 H new ATOM 387 N MET A -3 -13.516 8.834 5.280 1.00 0.00 N ATOM 388 CA MET A -3 -12.207 9.549 5.408 1.00 0.00 C ATOM 389 C MET A -3 -12.401 11.021 5.040 1.00 0.00 C ATOM 390 O MET A -3 -13.512 11.477 4.827 1.00 0.00 O ATOM 391 CB MET A -3 -11.251 8.894 4.400 1.00 0.00 C ATOM 392 CG MET A -3 -10.839 7.495 4.864 1.00 0.00 C ATOM 393 SD MET A -3 -9.885 7.607 6.399 1.00 0.00 S ATOM 394 CE MET A -3 -8.682 6.310 6.009 1.00 0.00 C ATOM 0 H MET A -3 -13.833 8.679 4.323 1.00 0.00 H new ATOM 0 HA MET A -3 -11.815 9.489 6.423 1.00 0.00 H new ATOM 0 HB2 MET A -3 -11.733 8.830 3.425 1.00 0.00 H new ATOM 0 HB3 MET A -3 -10.364 9.516 4.277 1.00 0.00 H new ATOM 0 HG2 MET A -3 -11.725 6.879 5.021 1.00 0.00 H new ATOM 0 HG3 MET A -3 -10.245 7.007 4.092 1.00 0.00 H new ATOM 0 HE1 MET A -3 -7.862 6.347 6.726 1.00 0.00 H new ATOM 0 HE2 MET A -3 -9.167 5.335 6.063 1.00 0.00 H new ATOM 0 HE3 MET A -3 -8.292 6.466 5.003 1.00 0.00 H new ATOM 404 N GLY A -2 -11.332 11.759 4.934 1.00 0.00 N ATOM 405 CA GLY A -2 -11.447 13.193 4.555 1.00 0.00 C ATOM 406 C GLY A -2 -11.529 13.298 3.033 1.00 0.00 C ATOM 407 O GLY A -2 -10.663 13.870 2.400 1.00 0.00 O ATOM 0 H GLY A -2 -10.380 11.429 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -12.333 13.634 5.011 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -10.587 13.751 4.925 1.00 0.00 H new ATOM 411 N SER A -1 -12.572 12.752 2.445 1.00 0.00 N ATOM 412 CA SER A -1 -12.747 12.805 0.960 1.00 0.00 C ATOM 413 C SER A -1 -11.469 12.352 0.238 1.00 0.00 C ATOM 414 O SER A -1 -10.654 13.160 -0.177 1.00 0.00 O ATOM 415 CB SER A -1 -13.055 14.269 0.665 1.00 0.00 C ATOM 416 OG SER A -1 -14.205 14.674 1.404 1.00 0.00 O ATOM 0 H SER A -1 -13.318 12.266 2.942 1.00 0.00 H new ATOM 0 HA SER A -1 -13.537 12.139 0.612 1.00 0.00 H new ATOM 0 HB2 SER A -1 -12.201 14.892 0.932 1.00 0.00 H new ATOM 0 HB3 SER A -1 -13.229 14.407 -0.402 1.00 0.00 H new ATOM 0 HG SER A -1 -14.401 15.615 1.215 1.00 0.00 H new ATOM 422 N GLY A 1 -11.293 11.068 0.078 1.00 0.00 N ATOM 423 CA GLY A 1 -10.076 10.563 -0.619 1.00 0.00 C ATOM 424 C GLY A 1 -10.428 9.315 -1.434 1.00 0.00 C ATOM 425 O GLY A 1 -11.145 8.452 -0.966 1.00 0.00 O ATOM 0 H GLY A 1 -11.939 10.347 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.674 11.335 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.300 10.327 0.109 1.00 0.00 H new ATOM 429 N PRO A 2 -9.903 9.260 -2.638 1.00 0.00 N ATOM 430 CA PRO A 2 -10.165 8.105 -3.537 1.00 0.00 C ATOM 431 C PRO A 2 -9.504 6.827 -3.009 1.00 0.00 C ATOM 432 O PRO A 2 -10.037 5.745 -3.163 1.00 0.00 O ATOM 433 CB PRO A 2 -9.551 8.539 -4.869 1.00 0.00 C ATOM 434 CG PRO A 2 -8.518 9.555 -4.505 1.00 0.00 C ATOM 435 CD PRO A 2 -9.020 10.256 -3.270 1.00 0.00 C ATOM 0 HA PRO A 2 -11.225 7.867 -3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.106 7.693 -5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.305 8.963 -5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.556 9.079 -4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.368 10.264 -5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.201 10.541 -2.610 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.560 11.169 -3.520 1.00 0.00 H new ATOM 443 N CYS A 3 -8.357 6.934 -2.384 1.00 0.00 N ATOM 444 CA CYS A 3 -7.687 5.704 -1.851 1.00 0.00 C ATOM 445 C CYS A 3 -8.644 4.954 -0.930 1.00 0.00 C ATOM 446 O CYS A 3 -8.776 3.753 -1.024 1.00 0.00 O ATOM 447 CB CYS A 3 -6.460 6.189 -1.081 1.00 0.00 C ATOM 448 SG CYS A 3 -5.528 4.772 -0.452 1.00 0.00 S ATOM 0 H CYS A 3 -7.859 7.809 -2.220 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.399 5.019 -2.648 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.827 6.792 -1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.768 6.829 -0.254 1.00 0.00 H new ATOM 453 N ARG A 4 -9.335 5.650 -0.055 1.00 0.00 N ATOM 454 CA ARG A 4 -10.305 4.955 0.847 1.00 0.00 C ATOM 455 C ARG A 4 -11.318 4.192 -0.014 1.00 0.00 C ATOM 456 O ARG A 4 -11.611 3.037 0.229 1.00 0.00 O ATOM 457 CB ARG A 4 -11.006 6.069 1.639 1.00 0.00 C ATOM 458 CG ARG A 4 -12.073 5.465 2.559 1.00 0.00 C ATOM 459 CD ARG A 4 -13.407 5.378 1.809 1.00 0.00 C ATOM 460 NE ARG A 4 -14.336 4.688 2.745 1.00 0.00 N ATOM 461 CZ ARG A 4 -14.799 3.502 2.446 1.00 0.00 C ATOM 462 NH1 ARG A 4 -15.409 3.295 1.304 1.00 0.00 N ATOM 463 NH2 ARG A 4 -14.641 2.518 3.287 1.00 0.00 N ATOM 0 H ARG A 4 -9.269 6.660 0.071 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.822 4.242 1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.275 6.622 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.466 6.780 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.764 4.473 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.186 6.078 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -13.777 6.369 1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.300 4.821 0.878 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.611 5.139 3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.525 4.062 0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.767 2.367 1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.159 2.676 4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.000 1.591 3.060 1.00 0.00 H new ATOM 477 N ARG A 5 -11.833 4.837 -1.033 1.00 0.00 N ATOM 478 CA ARG A 5 -12.813 4.162 -1.941 1.00 0.00 C ATOM 479 C ARG A 5 -12.102 3.013 -2.655 1.00 0.00 C ATOM 480 O ARG A 5 -12.638 1.933 -2.815 1.00 0.00 O ATOM 481 CB ARG A 5 -13.260 5.238 -2.945 1.00 0.00 C ATOM 482 CG ARG A 5 -13.638 6.526 -2.199 1.00 0.00 C ATOM 483 CD ARG A 5 -14.635 7.333 -3.034 1.00 0.00 C ATOM 484 NE ARG A 5 -15.899 6.536 -3.017 1.00 0.00 N ATOM 485 CZ ARG A 5 -16.698 6.562 -4.048 1.00 0.00 C ATOM 486 NH1 ARG A 5 -17.476 7.597 -4.234 1.00 0.00 N ATOM 487 NH2 ARG A 5 -16.720 5.555 -4.885 1.00 0.00 N ATOM 0 H ARG A 5 -11.616 5.804 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.671 3.750 -1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.458 5.441 -3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.112 4.878 -3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.074 6.282 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.745 7.121 -2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.790 8.325 -2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.272 7.474 -4.052 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.137 5.973 -2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.455 8.376 -3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.104 7.625 -5.038 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.112 4.750 -4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.345 5.575 -5.691 1.00 0.00 H new ATOM 501 N HIS A 6 -10.884 3.243 -3.072 1.00 0.00 N ATOM 502 CA HIS A 6 -10.106 2.172 -3.760 1.00 0.00 C ATOM 503 C HIS A 6 -9.820 1.036 -2.774 1.00 0.00 C ATOM 504 O HIS A 6 -10.030 -0.120 -3.077 1.00 0.00 O ATOM 505 CB HIS A 6 -8.800 2.842 -4.205 1.00 0.00 C ATOM 506 CG HIS A 6 -8.737 2.882 -5.708 1.00 0.00 C ATOM 507 ND1 HIS A 6 -8.239 3.975 -6.404 1.00 0.00 N ATOM 508 CD2 HIS A 6 -9.098 1.966 -6.664 1.00 0.00 C ATOM 509 CE1 HIS A 6 -8.315 3.686 -7.716 1.00 0.00 C ATOM 510 NE2 HIS A 6 -8.830 2.474 -7.930 1.00 0.00 N ATOM 0 H HIS A 6 -10.393 4.131 -2.965 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.643 1.743 -4.606 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.743 3.853 -3.802 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.945 2.293 -3.810 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -7.881 4.839 -5.996 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.526 0.995 -6.463 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.997 4.355 -8.502 1.00 0.00 H new ATOM 518 N LEU A 7 -9.354 1.359 -1.588 1.00 0.00 N ATOM 519 CA LEU A 7 -9.059 0.315 -0.570 1.00 0.00 C ATOM 520 C LEU A 7 -10.312 -0.515 -0.298 1.00 0.00 C ATOM 521 O LEU A 7 -10.282 -1.729 -0.371 1.00 0.00 O ATOM 522 CB LEU A 7 -8.677 1.102 0.685 1.00 0.00 C ATOM 523 CG LEU A 7 -7.646 0.317 1.487 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.326 1.077 2.772 1.00 0.00 C ATOM 525 CD2 LEU A 7 -8.205 -1.065 1.832 1.00 0.00 C ATOM 0 H LEU A 7 -9.166 2.315 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.275 -0.371 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.272 2.075 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.562 1.287 1.294 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.738 0.197 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.589 0.520 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.925 2.060 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.235 1.195 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.465 -1.624 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.114 -0.953 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.435 -1.604 0.913 1.00 0.00 H new ATOM 537 N ASP A 8 -11.412 0.130 -0.006 1.00 0.00 N ATOM 538 CA ASP A 8 -12.677 -0.622 0.257 1.00 0.00 C ATOM 539 C ASP A 8 -13.000 -1.505 -0.947 1.00 0.00 C ATOM 540 O ASP A 8 -13.336 -2.662 -0.809 1.00 0.00 O ATOM 541 CB ASP A 8 -13.755 0.454 0.448 1.00 0.00 C ATOM 542 CG ASP A 8 -14.917 -0.081 1.287 1.00 0.00 C ATOM 543 OD1 ASP A 8 -14.857 -1.218 1.719 1.00 0.00 O ATOM 544 OD2 ASP A 8 -15.849 0.671 1.499 1.00 0.00 O ATOM 0 H ASP A 8 -11.490 1.145 0.062 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.607 -1.272 1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.321 1.327 0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.124 0.782 -0.524 1.00 0.00 H new ATOM 549 N SER A 9 -12.875 -0.968 -2.130 1.00 0.00 N ATOM 550 CA SER A 9 -13.152 -1.772 -3.358 1.00 0.00 C ATOM 551 C SER A 9 -12.128 -2.908 -3.462 1.00 0.00 C ATOM 552 O SER A 9 -12.482 -4.060 -3.614 1.00 0.00 O ATOM 553 CB SER A 9 -12.993 -0.803 -4.535 1.00 0.00 C ATOM 554 OG SER A 9 -13.800 0.352 -4.325 1.00 0.00 O ATOM 0 H SER A 9 -12.592 -0.003 -2.301 1.00 0.00 H new ATOM 0 HA SER A 9 -14.146 -2.218 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.948 -0.513 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.282 -1.295 -5.464 1.00 0.00 H new ATOM 0 HG SER A 9 -13.225 1.125 -4.148 1.00 0.00 H new ATOM 560 N VAL A 10 -10.859 -2.592 -3.375 1.00 0.00 N ATOM 561 CA VAL A 10 -9.820 -3.659 -3.470 1.00 0.00 C ATOM 562 C VAL A 10 -10.002 -4.676 -2.342 1.00 0.00 C ATOM 563 O VAL A 10 -9.989 -5.866 -2.581 1.00 0.00 O ATOM 564 CB VAL A 10 -8.467 -2.940 -3.354 1.00 0.00 C ATOM 565 CG1 VAL A 10 -7.338 -3.966 -3.323 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.271 -2.034 -4.569 1.00 0.00 C ATOM 0 H VAL A 10 -10.501 -1.646 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.890 -4.212 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.454 -2.350 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.381 -3.451 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.470 -4.626 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.356 -4.554 -4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.312 -1.522 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.288 -2.635 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.073 -1.297 -4.607 1.00 0.00 H new ATOM 576 N LEU A 11 -10.185 -4.230 -1.121 1.00 0.00 N ATOM 577 CA LEU A 11 -10.370 -5.211 -0.011 1.00 0.00 C ATOM 578 C LEU A 11 -11.669 -5.999 -0.217 1.00 0.00 C ATOM 579 O LEU A 11 -11.722 -7.191 0.037 1.00 0.00 O ATOM 580 CB LEU A 11 -10.361 -4.396 1.300 1.00 0.00 C ATOM 581 CG LEU A 11 -11.773 -3.952 1.712 1.00 0.00 C ATOM 582 CD1 LEU A 11 -12.484 -5.086 2.454 1.00 0.00 C ATOM 583 CD2 LEU A 11 -11.675 -2.743 2.642 1.00 0.00 C ATOM 0 H LEU A 11 -10.214 -3.247 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.574 -5.955 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.923 -4.997 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.727 -3.518 1.177 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.336 -3.692 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.484 -4.762 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.558 -5.957 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.917 -5.349 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.676 -2.427 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.105 -3.013 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.174 -1.925 2.124 1.00 0.00 H new ATOM 595 N GLN A 12 -12.715 -5.364 -0.691 1.00 0.00 N ATOM 596 CA GLN A 12 -13.982 -6.121 -0.921 1.00 0.00 C ATOM 597 C GLN A 12 -13.804 -7.068 -2.116 1.00 0.00 C ATOM 598 O GLN A 12 -14.192 -8.222 -2.073 1.00 0.00 O ATOM 599 CB GLN A 12 -15.054 -5.063 -1.225 1.00 0.00 C ATOM 600 CG GLN A 12 -15.544 -4.437 0.085 1.00 0.00 C ATOM 601 CD GLN A 12 -16.806 -3.608 -0.168 1.00 0.00 C ATOM 602 OE1 GLN A 12 -17.683 -4.011 -0.917 1.00 0.00 O ATOM 603 NE2 GLN A 12 -16.942 -2.460 0.429 1.00 0.00 N ATOM 0 H GLN A 12 -12.746 -4.372 -0.924 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.261 -6.727 -0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.644 -4.292 -1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.889 -5.519 -1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.753 -5.219 0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -14.764 -3.805 0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.211 -2.121 1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.779 -1.899 0.271 1.00 0.00 H new ATOM 612 N GLN A 13 -13.224 -6.577 -3.184 1.00 0.00 N ATOM 613 CA GLN A 13 -13.024 -7.426 -4.394 1.00 0.00 C ATOM 614 C GLN A 13 -11.938 -8.488 -4.171 1.00 0.00 C ATOM 615 O GLN A 13 -12.135 -9.633 -4.504 1.00 0.00 O ATOM 616 CB GLN A 13 -12.603 -6.470 -5.518 1.00 0.00 C ATOM 617 CG GLN A 13 -13.827 -6.090 -6.358 1.00 0.00 C ATOM 618 CD GLN A 13 -14.256 -4.666 -6.013 1.00 0.00 C ATOM 619 OE1 GLN A 13 -13.655 -3.713 -6.463 1.00 0.00 O ATOM 620 NE2 GLN A 13 -15.273 -4.476 -5.224 1.00 0.00 N ATOM 0 H GLN A 13 -12.880 -5.620 -3.267 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.939 -7.966 -4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.148 -5.574 -5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.850 -6.943 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.590 -6.163 -7.419 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.644 -6.785 -6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.780 -5.275 -4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.563 -3.528 -4.985 1.00 0.00 H new ATOM 629 N LEU A 14 -10.788 -8.131 -3.640 1.00 0.00 N ATOM 630 CA LEU A 14 -9.705 -9.157 -3.453 1.00 0.00 C ATOM 631 C LEU A 14 -10.207 -10.381 -2.671 1.00 0.00 C ATOM 632 O LEU A 14 -9.776 -11.493 -2.922 1.00 0.00 O ATOM 633 CB LEU A 14 -8.541 -8.450 -2.733 1.00 0.00 C ATOM 634 CG LEU A 14 -8.714 -8.545 -1.218 1.00 0.00 C ATOM 635 CD1 LEU A 14 -8.129 -9.863 -0.709 1.00 0.00 C ATOM 636 CD2 LEU A 14 -7.983 -7.387 -0.542 1.00 0.00 C ATOM 0 H LEU A 14 -10.554 -7.187 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.376 -9.547 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.594 -8.904 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.500 -7.404 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.777 -8.500 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.256 -9.924 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.646 -10.698 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.068 -9.908 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.109 -7.458 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.922 -7.434 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.396 -6.441 -0.894 1.00 0.00 H new ATOM 648 N GLN A 15 -11.107 -10.208 -1.739 1.00 0.00 N ATOM 649 CA GLN A 15 -11.608 -11.395 -0.985 1.00 0.00 C ATOM 650 C GLN A 15 -12.462 -12.272 -1.905 1.00 0.00 C ATOM 651 O GLN A 15 -12.469 -13.483 -1.793 1.00 0.00 O ATOM 652 CB GLN A 15 -12.440 -10.845 0.175 1.00 0.00 C ATOM 653 CG GLN A 15 -11.794 -11.245 1.506 1.00 0.00 C ATOM 654 CD GLN A 15 -12.021 -12.742 1.762 1.00 0.00 C ATOM 655 OE1 GLN A 15 -11.087 -13.466 2.055 1.00 0.00 O ATOM 656 NE2 GLN A 15 -13.220 -13.248 1.657 1.00 0.00 N ATOM 0 H GLN A 15 -11.512 -9.311 -1.470 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.792 -12.015 -0.615 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.508 -9.759 0.104 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.457 -11.233 0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.726 -11.028 1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.221 -10.658 2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.007 -12.648 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.369 -14.244 1.820 1.00 0.00 H new ATOM 665 N THR A 16 -13.144 -11.667 -2.834 1.00 0.00 N ATOM 666 CA THR A 16 -13.961 -12.435 -3.795 1.00 0.00 C ATOM 667 C THR A 16 -13.052 -12.847 -4.952 1.00 0.00 C ATOM 668 O THR A 16 -13.127 -13.950 -5.465 1.00 0.00 O ATOM 669 CB THR A 16 -15.026 -11.431 -4.247 1.00 0.00 C ATOM 670 OG1 THR A 16 -15.925 -11.176 -3.174 1.00 0.00 O ATOM 671 CG2 THR A 16 -15.788 -11.993 -5.434 1.00 0.00 C ATOM 0 H THR A 16 -13.167 -10.656 -2.966 1.00 0.00 H new ATOM 0 HA THR A 16 -14.414 -13.341 -3.393 1.00 0.00 H new ATOM 0 HB THR A 16 -14.543 -10.499 -4.541 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.605 -10.532 -3.463 1.00 0.00 H new ATOM 0 HG21 THR A 16 -16.545 -11.276 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 16 -15.096 -12.180 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 16 -16.271 -12.927 -5.147 1.00 0.00 H new ATOM 679 N GLU A 17 -12.169 -11.964 -5.342 1.00 0.00 N ATOM 680 CA GLU A 17 -11.214 -12.272 -6.439 1.00 0.00 C ATOM 681 C GLU A 17 -9.925 -12.830 -5.834 1.00 0.00 C ATOM 682 O GLU A 17 -8.833 -12.402 -6.163 1.00 0.00 O ATOM 683 CB GLU A 17 -10.953 -10.934 -7.141 1.00 0.00 C ATOM 684 CG GLU A 17 -12.268 -10.367 -7.688 1.00 0.00 C ATOM 685 CD GLU A 17 -12.255 -10.414 -9.211 1.00 0.00 C ATOM 686 OE1 GLU A 17 -11.511 -9.655 -9.805 1.00 0.00 O ATOM 687 OE2 GLU A 17 -12.984 -11.218 -9.762 1.00 0.00 O ATOM 0 H GLU A 17 -12.071 -11.032 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.598 -13.013 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.505 -10.228 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.240 -11.073 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.111 -10.942 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.402 -9.340 -7.348 1.00 0.00 H new ATOM 694 N VAL A 18 -10.051 -13.767 -4.932 1.00 0.00 N ATOM 695 CA VAL A 18 -8.840 -14.349 -4.269 1.00 0.00 C ATOM 696 C VAL A 18 -7.806 -14.800 -5.294 1.00 0.00 C ATOM 697 O VAL A 18 -6.615 -14.709 -5.061 1.00 0.00 O ATOM 698 CB VAL A 18 -9.350 -15.547 -3.459 1.00 0.00 C ATOM 699 CG1 VAL A 18 -8.207 -16.543 -3.228 1.00 0.00 C ATOM 700 CG2 VAL A 18 -9.869 -15.060 -2.104 1.00 0.00 C ATOM 0 H VAL A 18 -10.941 -14.157 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.344 -13.610 -3.640 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.153 -16.036 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.575 -17.392 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.829 -16.893 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.403 -16.053 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.232 -15.910 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.062 -14.570 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.683 -14.352 -2.259 1.00 0.00 H new ATOM 710 N TYR A 19 -8.241 -15.287 -6.413 1.00 0.00 N ATOM 711 CA TYR A 19 -7.254 -15.750 -7.441 1.00 0.00 C ATOM 712 C TYR A 19 -6.258 -14.639 -7.717 1.00 0.00 C ATOM 713 O TYR A 19 -5.072 -14.857 -7.831 1.00 0.00 O ATOM 714 CB TYR A 19 -8.021 -16.159 -8.723 1.00 0.00 C ATOM 715 CG TYR A 19 -9.384 -15.510 -8.825 1.00 0.00 C ATOM 716 CD1 TYR A 19 -9.487 -14.139 -9.065 1.00 0.00 C ATOM 717 CD2 TYR A 19 -10.539 -16.288 -8.704 1.00 0.00 C ATOM 718 CE1 TYR A 19 -10.744 -13.541 -9.179 1.00 0.00 C ATOM 719 CE2 TYR A 19 -11.799 -15.696 -8.822 1.00 0.00 C ATOM 720 CZ TYR A 19 -11.907 -14.324 -9.056 1.00 0.00 C ATOM 721 OH TYR A 19 -13.163 -13.757 -9.173 1.00 0.00 O ATOM 0 H TYR A 19 -9.223 -15.388 -6.668 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.699 -16.616 -7.080 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.429 -15.888 -9.597 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.138 -17.243 -8.741 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.594 -13.540 -9.163 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.457 -17.349 -8.519 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.823 -12.479 -9.361 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.690 -16.300 -8.732 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.113 -12.967 -9.751 1.00 0.00 H new ATOM 731 N ARG A 20 -6.750 -13.457 -7.755 1.00 0.00 N ATOM 732 CA ARG A 20 -5.882 -12.260 -7.952 1.00 0.00 C ATOM 733 C ARG A 20 -5.368 -11.785 -6.593 1.00 0.00 C ATOM 734 O ARG A 20 -4.197 -11.503 -6.420 1.00 0.00 O ATOM 735 CB ARG A 20 -6.777 -11.200 -8.602 1.00 0.00 C ATOM 736 CG ARG A 20 -6.773 -11.394 -10.120 1.00 0.00 C ATOM 737 CD ARG A 20 -8.189 -11.743 -10.583 1.00 0.00 C ATOM 738 NE ARG A 20 -8.595 -10.643 -11.497 1.00 0.00 N ATOM 739 CZ ARG A 20 -9.492 -10.876 -12.418 1.00 0.00 C ATOM 740 NH1 ARG A 20 -9.106 -11.316 -13.581 1.00 0.00 N ATOM 741 NH2 ARG A 20 -10.766 -10.696 -12.165 1.00 0.00 N ATOM 0 H ARG A 20 -7.744 -13.248 -7.657 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.014 -12.469 -8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.793 -11.280 -8.217 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.419 -10.202 -8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.429 -10.486 -10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.080 -12.189 -10.396 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.208 -12.705 -11.095 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.870 -11.820 -9.736 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.178 -9.717 -11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.115 -11.474 -13.763 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.795 -11.502 -14.310 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.062 -10.372 -11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.461 -10.880 -12.889 1.00 0.00 H new ATOM 755 N GLY A 21 -6.255 -11.705 -5.633 1.00 0.00 N ATOM 756 CA GLY A 21 -5.878 -11.256 -4.253 1.00 0.00 C ATOM 757 C GLY A 21 -4.672 -12.048 -3.756 1.00 0.00 C ATOM 758 O GLY A 21 -3.707 -11.487 -3.280 1.00 0.00 O ATOM 0 H GLY A 21 -7.242 -11.935 -5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.646 -10.191 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.719 -11.395 -3.574 1.00 0.00 H new ATOM 762 N ALA A 22 -4.721 -13.345 -3.875 1.00 0.00 N ATOM 763 CA ALA A 22 -3.581 -14.188 -3.415 1.00 0.00 C ATOM 764 C ALA A 22 -2.468 -14.240 -4.473 1.00 0.00 C ATOM 765 O ALA A 22 -1.410 -14.779 -4.223 1.00 0.00 O ATOM 766 CB ALA A 22 -4.171 -15.581 -3.190 1.00 0.00 C ATOM 0 H ALA A 22 -5.506 -13.861 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.127 -13.784 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.387 -16.257 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.956 -15.526 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.591 -15.954 -4.124 1.00 0.00 H new ATOM 772 N GLN A 23 -2.685 -13.712 -5.653 1.00 0.00 N ATOM 773 CA GLN A 23 -1.610 -13.779 -6.692 1.00 0.00 C ATOM 774 C GLN A 23 -0.757 -12.519 -6.693 1.00 0.00 C ATOM 775 O GLN A 23 0.445 -12.570 -6.542 1.00 0.00 O ATOM 776 CB GLN A 23 -2.337 -13.927 -8.034 1.00 0.00 C ATOM 777 CG GLN A 23 -2.229 -15.371 -8.527 1.00 0.00 C ATOM 778 CD GLN A 23 -1.755 -15.374 -9.981 1.00 0.00 C ATOM 779 OE1 GLN A 23 -0.600 -15.114 -10.255 1.00 0.00 O ATOM 780 NE2 GLN A 23 -2.601 -15.640 -10.933 1.00 0.00 N ATOM 0 H GLN A 23 -3.545 -13.245 -5.939 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.933 -14.611 -6.497 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.385 -13.649 -7.923 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.904 -13.249 -8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.530 -15.929 -7.904 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.196 -15.868 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.571 -15.859 -10.707 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.294 -15.630 -11.906 1.00 0.00 H new ATOM 789 N THR A 24 -1.376 -11.405 -6.890 1.00 0.00 N ATOM 790 CA THR A 24 -0.637 -10.101 -6.918 1.00 0.00 C ATOM 791 C THR A 24 -1.616 -8.925 -6.842 1.00 0.00 C ATOM 792 O THR A 24 -1.418 -7.899 -7.466 1.00 0.00 O ATOM 793 CB THR A 24 0.163 -10.120 -8.216 1.00 0.00 C ATOM 794 OG1 THR A 24 0.989 -8.967 -8.302 1.00 0.00 O ATOM 795 CG2 THR A 24 -0.775 -10.178 -9.417 1.00 0.00 C ATOM 0 H THR A 24 -2.382 -11.327 -7.037 1.00 0.00 H new ATOM 0 HA THR A 24 0.027 -9.976 -6.062 1.00 0.00 H new ATOM 0 HB THR A 24 0.794 -11.009 -8.220 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.928 -9.241 -8.360 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.189 -10.191 -10.336 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.382 -11.081 -9.361 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.425 -9.303 -9.414 1.00 0.00 H new ATOM 803 N LEU A 25 -2.680 -9.061 -6.098 1.00 0.00 N ATOM 804 CA LEU A 25 -3.658 -7.938 -6.022 1.00 0.00 C ATOM 805 C LEU A 25 -3.107 -6.888 -5.071 1.00 0.00 C ATOM 806 O LEU A 25 -2.778 -7.162 -3.933 1.00 0.00 O ATOM 807 CB LEU A 25 -4.963 -8.540 -5.488 1.00 0.00 C ATOM 808 CG LEU A 25 -6.162 -7.836 -6.132 1.00 0.00 C ATOM 809 CD1 LEU A 25 -7.373 -8.784 -6.164 1.00 0.00 C ATOM 810 CD2 LEU A 25 -6.514 -6.587 -5.322 1.00 0.00 C ATOM 0 H LEU A 25 -2.913 -9.887 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.833 -7.462 -6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.997 -9.608 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.006 -8.434 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.904 -7.551 -7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.221 -8.276 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.124 -9.672 -6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.633 -9.077 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.367 -6.085 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.766 -6.874 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.660 -5.910 -5.308 1.00 0.00 H new ATOM 822 N TYR A 26 -2.961 -5.698 -5.560 1.00 0.00 N ATOM 823 CA TYR A 26 -2.384 -4.600 -4.738 1.00 0.00 C ATOM 824 C TYR A 26 -3.475 -3.775 -4.043 1.00 0.00 C ATOM 825 O TYR A 26 -4.476 -3.406 -4.639 1.00 0.00 O ATOM 826 CB TYR A 26 -1.591 -3.761 -5.756 1.00 0.00 C ATOM 827 CG TYR A 26 -1.752 -2.287 -5.482 1.00 0.00 C ATOM 828 CD1 TYR A 26 -0.949 -1.674 -4.525 1.00 0.00 C ATOM 829 CD2 TYR A 26 -2.696 -1.542 -6.191 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.089 -0.306 -4.270 1.00 0.00 C ATOM 831 CE2 TYR A 26 -2.840 -0.174 -5.937 1.00 0.00 C ATOM 832 CZ TYR A 26 -2.034 0.444 -4.976 1.00 0.00 C ATOM 833 OH TYR A 26 -2.168 1.796 -4.731 1.00 0.00 O ATOM 0 H TYR A 26 -3.220 -5.430 -6.510 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.760 -4.969 -3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.536 -4.030 -5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.935 -3.987 -6.765 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.219 -2.254 -3.980 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.315 -2.022 -6.935 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.467 0.171 -3.527 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.572 0.404 -6.482 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.869 2.165 -5.308 1.00 0.00 H new ATOM 843 N VAL A 27 -3.259 -3.464 -2.787 1.00 0.00 N ATOM 844 CA VAL A 27 -4.230 -2.636 -2.019 1.00 0.00 C ATOM 845 C VAL A 27 -3.539 -1.324 -1.601 1.00 0.00 C ATOM 846 O VAL A 27 -2.374 -1.317 -1.235 1.00 0.00 O ATOM 847 CB VAL A 27 -4.647 -3.458 -0.794 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.895 -4.910 -1.192 1.00 0.00 C ATOM 849 CG2 VAL A 27 -3.549 -3.409 0.256 1.00 0.00 C ATOM 0 H VAL A 27 -2.437 -3.755 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.110 -2.380 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.565 -3.035 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.190 -5.483 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.690 -4.952 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.982 -5.333 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.850 -3.995 1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.630 -3.822 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.379 -2.375 0.557 1.00 0.00 H new ATOM 859 N PRO A 28 -4.272 -0.258 -1.712 1.00 0.00 N ATOM 860 CA PRO A 28 -3.740 1.086 -1.400 1.00 0.00 C ATOM 861 C PRO A 28 -3.883 1.448 0.092 1.00 0.00 C ATOM 862 O PRO A 28 -4.924 1.255 0.686 1.00 0.00 O ATOM 863 CB PRO A 28 -4.624 2.000 -2.251 1.00 0.00 C ATOM 864 CG PRO A 28 -5.912 1.253 -2.461 1.00 0.00 C ATOM 865 CD PRO A 28 -5.667 -0.204 -2.137 1.00 0.00 C ATOM 0 HA PRO A 28 -2.673 1.165 -1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.802 2.950 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.146 2.229 -3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.696 1.659 -1.822 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.252 1.362 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.335 -0.553 -1.349 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.841 -0.838 -3.006 1.00 0.00 H new ATOM 873 N ASN A 29 -2.859 2.020 0.683 1.00 0.00 N ATOM 874 CA ASN A 29 -2.955 2.450 2.114 1.00 0.00 C ATOM 875 C ASN A 29 -3.416 3.899 2.130 1.00 0.00 C ATOM 876 O ASN A 29 -2.878 4.722 1.412 1.00 0.00 O ATOM 877 CB ASN A 29 -1.541 2.367 2.677 1.00 0.00 C ATOM 878 CG ASN A 29 -1.596 2.201 4.192 1.00 0.00 C ATOM 879 OD1 ASN A 29 -1.547 1.098 4.696 1.00 0.00 O ATOM 880 ND2 ASN A 29 -1.697 3.255 4.951 1.00 0.00 N ATOM 0 H ASN A 29 -1.962 2.207 0.235 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.646 1.837 2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.010 1.527 2.229 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.984 3.269 2.421 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.735 3.152 5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.738 4.184 4.531 1.00 0.00 H new ATOM 887 N CYS A 30 -4.395 4.235 2.911 1.00 0.00 N ATOM 888 CA CYS A 30 -4.852 5.651 2.907 1.00 0.00 C ATOM 889 C CYS A 30 -4.835 6.246 4.308 1.00 0.00 C ATOM 890 O CYS A 30 -5.173 5.597 5.281 1.00 0.00 O ATOM 891 CB CYS A 30 -6.289 5.615 2.374 1.00 0.00 C ATOM 892 SG CYS A 30 -6.514 4.227 1.227 1.00 0.00 S ATOM 0 H CYS A 30 -4.893 3.607 3.542 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.195 6.271 2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.988 5.523 3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.518 6.553 1.867 1.00 0.00 H new ATOM 897 N ASP A 31 -4.475 7.500 4.400 1.00 0.00 N ATOM 898 CA ASP A 31 -4.468 8.190 5.720 1.00 0.00 C ATOM 899 C ASP A 31 -5.889 8.660 6.034 1.00 0.00 C ATOM 900 O ASP A 31 -6.786 8.499 5.225 1.00 0.00 O ATOM 901 CB ASP A 31 -3.526 9.388 5.567 1.00 0.00 C ATOM 902 CG ASP A 31 -2.567 9.424 6.752 1.00 0.00 C ATOM 903 OD1 ASP A 31 -1.513 8.818 6.657 1.00 0.00 O ATOM 904 OD2 ASP A 31 -2.889 10.067 7.731 1.00 0.00 O ATOM 0 H ASP A 31 -4.184 8.077 3.611 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.137 7.540 6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.968 9.311 4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.100 10.314 5.519 1.00 0.00 H new ATOM 909 N HIS A 32 -6.106 9.224 7.191 1.00 0.00 N ATOM 910 CA HIS A 32 -7.483 9.696 7.564 1.00 0.00 C ATOM 911 C HIS A 32 -8.120 10.546 6.449 1.00 0.00 C ATOM 912 O HIS A 32 -9.328 10.659 6.372 1.00 0.00 O ATOM 913 CB HIS A 32 -7.297 10.536 8.832 1.00 0.00 C ATOM 914 CG HIS A 32 -8.363 10.182 9.834 1.00 0.00 C ATOM 915 ND1 HIS A 32 -9.701 10.063 9.486 1.00 0.00 N ATOM 916 CD2 HIS A 32 -8.300 9.913 11.177 1.00 0.00 C ATOM 917 CE1 HIS A 32 -10.379 9.734 10.601 1.00 0.00 C ATOM 918 NE2 HIS A 32 -9.573 9.629 11.659 1.00 0.00 N ATOM 0 H HIS A 32 -5.390 9.381 7.901 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.154 8.851 7.720 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.310 10.356 9.258 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.351 11.597 8.588 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -10.098 10.200 8.556 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.398 9.921 11.771 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -11.447 9.574 10.635 1.00 0.00 H new ATOM 926 N ARG A 33 -7.336 11.148 5.584 1.00 0.00 N ATOM 927 CA ARG A 33 -7.930 11.971 4.491 1.00 0.00 C ATOM 928 C ARG A 33 -8.349 11.092 3.283 1.00 0.00 C ATOM 929 O ARG A 33 -8.683 11.592 2.229 1.00 0.00 O ATOM 930 CB ARG A 33 -6.887 13.040 4.141 1.00 0.00 C ATOM 931 CG ARG A 33 -5.852 12.499 3.155 1.00 0.00 C ATOM 932 CD ARG A 33 -6.143 13.017 1.734 1.00 0.00 C ATOM 933 NE ARG A 33 -6.579 14.440 1.863 1.00 0.00 N ATOM 934 CZ ARG A 33 -7.344 14.957 0.939 1.00 0.00 C ATOM 935 NH1 ARG A 33 -8.601 14.610 0.857 1.00 0.00 N ATOM 936 NH2 ARG A 33 -6.846 15.812 0.089 1.00 0.00 N ATOM 0 H ARG A 33 -6.317 11.103 5.591 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.856 12.454 4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.384 13.910 3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.387 13.376 5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.852 12.805 3.463 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.868 11.409 3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.254 12.942 1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.920 12.418 1.258 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.283 15.001 2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.987 13.934 1.516 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.196 15.015 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.862 16.075 0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.440 16.218 -0.634 1.00 0.00 H new ATOM 950 N GLY A 34 -8.373 9.784 3.453 1.00 0.00 N ATOM 951 CA GLY A 34 -8.819 8.853 2.357 1.00 0.00 C ATOM 952 C GLY A 34 -7.885 8.814 1.136 1.00 0.00 C ATOM 953 O GLY A 34 -8.167 8.110 0.189 1.00 0.00 O ATOM 0 H GLY A 34 -8.098 9.317 4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.905 7.846 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.815 9.150 2.028 1.00 0.00 H new ATOM 957 N PHE A 35 -6.795 9.527 1.123 1.00 0.00 N ATOM 958 CA PHE A 35 -5.883 9.463 -0.076 1.00 0.00 C ATOM 959 C PHE A 35 -4.866 8.332 0.109 1.00 0.00 C ATOM 960 O PHE A 35 -4.748 7.785 1.181 1.00 0.00 O ATOM 961 CB PHE A 35 -5.152 10.807 -0.127 1.00 0.00 C ATOM 962 CG PHE A 35 -5.832 11.735 -1.111 1.00 0.00 C ATOM 963 CD1 PHE A 35 -7.194 12.038 -0.982 1.00 0.00 C ATOM 964 CD2 PHE A 35 -5.091 12.304 -2.156 1.00 0.00 C ATOM 965 CE1 PHE A 35 -7.809 12.906 -1.894 1.00 0.00 C ATOM 966 CE2 PHE A 35 -5.707 13.170 -3.065 1.00 0.00 C ATOM 967 CZ PHE A 35 -7.067 13.472 -2.934 1.00 0.00 C ATOM 0 H PHE A 35 -6.490 10.146 1.874 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.440 9.274 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.141 11.261 0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.113 10.653 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.770 11.602 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.041 12.073 -2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.859 13.138 -1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.133 13.606 -3.869 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.542 14.141 -3.636 1.00 0.00 H new ATOM 977 N TYR A 36 -4.091 8.029 -0.907 1.00 0.00 N ATOM 978 CA TYR A 36 -3.026 6.974 -0.760 1.00 0.00 C ATOM 979 C TYR A 36 -1.856 7.716 -0.162 1.00 0.00 C ATOM 980 O TYR A 36 -1.064 8.279 -0.888 1.00 0.00 O ATOM 981 CB TYR A 36 -2.640 6.471 -2.176 1.00 0.00 C ATOM 982 CG TYR A 36 -3.824 6.416 -3.126 1.00 0.00 C ATOM 983 CD1 TYR A 36 -4.224 7.563 -3.826 1.00 0.00 C ATOM 984 CD2 TYR A 36 -4.509 5.212 -3.320 1.00 0.00 C ATOM 985 CE1 TYR A 36 -5.308 7.507 -4.709 1.00 0.00 C ATOM 986 CE2 TYR A 36 -5.594 5.153 -4.202 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.996 6.301 -4.897 1.00 0.00 C ATOM 988 OH TYR A 36 -7.075 6.241 -5.759 1.00 0.00 O ATOM 0 H TYR A 36 -4.146 8.462 -1.829 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.338 6.121 -0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.876 7.127 -2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.199 5.478 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.694 8.493 -3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.200 4.325 -2.787 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.614 8.393 -5.245 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.122 4.222 -4.347 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.753 6.171 -6.682 1.00 0.00 H new ATOM 998 N ARG A 37 -1.786 7.853 1.133 1.00 0.00 N ATOM 999 CA ARG A 37 -0.699 8.719 1.634 1.00 0.00 C ATOM 1000 C ARG A 37 0.681 8.085 1.697 1.00 0.00 C ATOM 1001 O ARG A 37 1.591 8.533 1.040 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.135 9.150 3.037 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.217 10.278 3.511 1.00 0.00 C ATOM 1004 CD ARG A 37 -1.036 11.367 4.203 1.00 0.00 C ATOM 1005 NE ARG A 37 -0.670 11.256 5.639 1.00 0.00 N ATOM 1006 CZ ARG A 37 -0.615 12.326 6.376 1.00 0.00 C ATOM 1007 NH1 ARG A 37 0.397 13.144 6.260 1.00 0.00 N ATOM 1008 NH2 ARG A 37 -1.562 12.568 7.242 1.00 0.00 N ATOM 0 H ARG A 37 -2.399 7.427 1.828 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.571 9.541 0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.172 9.487 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.083 8.306 3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.532 9.883 4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.321 10.701 2.662 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.797 12.354 3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.105 11.215 4.053 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.463 10.344 6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.142 12.943 5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.443 13.984 6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.342 11.918 7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.521 13.407 7.821 1.00 0.00 H new ATOM 1022 N LYS A 38 0.865 7.114 2.524 1.00 0.00 N ATOM 1023 CA LYS A 38 2.228 6.523 2.656 1.00 0.00 C ATOM 1024 C LYS A 38 2.481 5.184 1.955 1.00 0.00 C ATOM 1025 O LYS A 38 3.552 4.970 1.420 1.00 0.00 O ATOM 1026 CB LYS A 38 2.446 6.387 4.157 1.00 0.00 C ATOM 1027 CG LYS A 38 3.622 7.283 4.564 1.00 0.00 C ATOM 1028 CD LYS A 38 3.120 8.492 5.366 1.00 0.00 C ATOM 1029 CE LYS A 38 3.118 8.177 6.864 1.00 0.00 C ATOM 1030 NZ LYS A 38 1.754 7.654 7.160 1.00 0.00 N ATOM 0 H LYS A 38 0.145 6.699 3.115 1.00 0.00 H new ATOM 0 HA LYS A 38 2.931 7.181 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.545 6.677 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.654 5.349 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.333 6.712 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.153 7.623 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.756 9.355 5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.114 8.758 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.883 7.441 7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.332 9.069 7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.571 7.721 8.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.047 8.216 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.691 6.660 6.862 1.00 0.00 H new ATOM 1044 N ARG A 39 1.589 4.234 2.073 1.00 0.00 N ATOM 1045 CA ARG A 39 1.908 2.879 1.529 1.00 0.00 C ATOM 1046 C ARG A 39 1.021 2.372 0.388 1.00 0.00 C ATOM 1047 O ARG A 39 -0.190 2.441 0.425 1.00 0.00 O ATOM 1048 CB ARG A 39 1.771 1.966 2.751 1.00 0.00 C ATOM 1049 CG ARG A 39 2.057 0.515 2.357 1.00 0.00 C ATOM 1050 CD ARG A 39 3.564 0.245 2.446 1.00 0.00 C ATOM 1051 NE ARG A 39 3.909 0.364 3.894 1.00 0.00 N ATOM 1052 CZ ARG A 39 3.661 -0.627 4.712 1.00 0.00 C ATOM 1053 NH1 ARG A 39 4.499 -1.630 4.800 1.00 0.00 N ATOM 1054 NH2 ARG A 39 2.572 -0.609 5.437 1.00 0.00 N ATOM 0 H ARG A 39 0.674 4.332 2.512 1.00 0.00 H new ATOM 0 HA ARG A 39 2.893 2.902 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.464 2.283 3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.766 2.047 3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.516 -0.165 3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.703 0.326 1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.808 -0.747 2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.127 0.963 1.849 1.00 0.00 H new ATOM 0 HE ARG A 39 4.339 1.219 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.345 -1.639 4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.305 -2.402 5.438 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.923 0.174 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.372 -1.378 6.077 1.00 0.00 H new ATOM 1068 N GLN A 40 1.647 1.720 -0.549 1.00 0.00 N ATOM 1069 CA GLN A 40 0.929 1.023 -1.651 1.00 0.00 C ATOM 1070 C GLN A 40 1.395 -0.434 -1.523 1.00 0.00 C ATOM 1071 O GLN A 40 2.587 -0.688 -1.475 1.00 0.00 O ATOM 1072 CB GLN A 40 1.432 1.638 -2.961 1.00 0.00 C ATOM 1073 CG GLN A 40 0.560 2.814 -3.457 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.419 3.309 -2.390 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -0.063 4.073 -1.526 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -1.657 2.933 -2.440 1.00 0.00 N ATOM 0 H GLN A 40 2.663 1.639 -0.598 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.158 1.101 -1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.455 1.987 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.460 0.866 -3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.206 3.637 -3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.002 2.501 -4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.965 2.288 -3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.324 3.282 -1.752 1.00 0.00 H new ATOM 1085 N CYS A 41 0.519 -1.393 -1.391 1.00 0.00 N ATOM 1086 CA CYS A 41 1.024 -2.791 -1.189 1.00 0.00 C ATOM 1087 C CYS A 41 0.488 -3.783 -2.221 1.00 0.00 C ATOM 1088 O CYS A 41 -0.679 -3.782 -2.554 1.00 0.00 O ATOM 1089 CB CYS A 41 0.525 -3.187 0.205 1.00 0.00 C ATOM 1090 SG CYS A 41 1.631 -2.496 1.465 1.00 0.00 S ATOM 0 H CYS A 41 -0.495 -1.281 -1.412 1.00 0.00 H new ATOM 0 HA CYS A 41 2.108 -2.817 -1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.490 -2.820 0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.488 -4.273 0.295 1.00 0.00 H new ATOM 1095 N ARG A 42 1.336 -4.672 -2.668 1.00 0.00 N ATOM 1096 CA ARG A 42 0.914 -5.731 -3.626 1.00 0.00 C ATOM 1097 C ARG A 42 0.693 -7.006 -2.817 1.00 0.00 C ATOM 1098 O ARG A 42 1.290 -7.172 -1.768 1.00 0.00 O ATOM 1099 CB ARG A 42 2.102 -5.885 -4.578 1.00 0.00 C ATOM 1100 CG ARG A 42 1.751 -6.856 -5.708 1.00 0.00 C ATOM 1101 CD ARG A 42 1.442 -6.063 -6.981 1.00 0.00 C ATOM 1102 NE ARG A 42 2.587 -6.325 -7.896 1.00 0.00 N ATOM 1103 CZ ARG A 42 2.410 -6.214 -9.185 1.00 0.00 C ATOM 1104 NH1 ARG A 42 1.717 -7.120 -9.820 1.00 0.00 N ATOM 1105 NH2 ARG A 42 2.908 -5.190 -9.830 1.00 0.00 N ATOM 0 H ARG A 42 2.320 -4.707 -2.403 1.00 0.00 H new ATOM 0 HA ARG A 42 0.000 -5.506 -4.176 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.373 -4.914 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.971 -6.251 -4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.580 -7.541 -5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.891 -7.463 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.501 -6.386 -7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.345 -4.999 -6.767 1.00 0.00 H new ATOM 0 HE ARG A 42 3.498 -6.588 -7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.318 -7.908 -9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.574 -7.040 -10.827 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.435 -4.477 -9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.769 -5.105 -10.837 1.00 0.00 H new ATOM 1119 N SER A 43 -0.141 -7.905 -3.269 1.00 0.00 N ATOM 1120 CA SER A 43 -0.362 -9.159 -2.474 1.00 0.00 C ATOM 1121 C SER A 43 -0.145 -10.374 -3.355 1.00 0.00 C ATOM 1122 O SER A 43 -0.830 -10.550 -4.346 1.00 0.00 O ATOM 1123 CB SER A 43 -1.817 -9.111 -1.999 1.00 0.00 C ATOM 1124 OG SER A 43 -2.154 -7.784 -1.594 1.00 0.00 O ATOM 0 H SER A 43 -0.672 -7.833 -4.137 1.00 0.00 H new ATOM 0 HA SER A 43 0.330 -9.228 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.481 -9.435 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.960 -9.801 -1.168 1.00 0.00 H new ATOM 0 HG SER A 43 -2.602 -7.321 -2.332 1.00 0.00 H new ATOM 1130 N SER A 44 0.790 -11.213 -3.001 1.00 0.00 N ATOM 1131 CA SER A 44 1.060 -12.426 -3.827 1.00 0.00 C ATOM 1132 C SER A 44 1.178 -13.681 -2.951 1.00 0.00 C ATOM 1133 O SER A 44 1.311 -13.601 -1.743 1.00 0.00 O ATOM 1134 CB SER A 44 2.387 -12.141 -4.548 1.00 0.00 C ATOM 1135 OG SER A 44 2.627 -10.732 -4.602 1.00 0.00 O ATOM 0 H SER A 44 1.380 -11.111 -2.175 1.00 0.00 H new ATOM 0 HA SER A 44 0.248 -12.619 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.206 -12.637 -4.027 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.356 -12.551 -5.557 1.00 0.00 H new ATOM 0 HG SER A 44 3.476 -10.562 -5.062 1.00 0.00 H new ATOM 1141 N GLN A 45 1.117 -14.843 -3.553 1.00 0.00 N ATOM 1142 CA GLN A 45 1.209 -16.113 -2.766 1.00 0.00 C ATOM 1143 C GLN A 45 2.672 -16.482 -2.498 1.00 0.00 C ATOM 1144 O GLN A 45 3.036 -16.796 -1.383 1.00 0.00 O ATOM 1145 CB GLN A 45 0.531 -17.181 -3.634 1.00 0.00 C ATOM 1146 CG GLN A 45 -0.817 -17.555 -3.020 1.00 0.00 C ATOM 1147 CD GLN A 45 -1.636 -18.367 -4.031 1.00 0.00 C ATOM 1148 OE1 GLN A 45 -2.832 -18.178 -4.150 1.00 0.00 O ATOM 1149 NE2 GLN A 45 -1.050 -19.271 -4.769 1.00 0.00 N ATOM 0 H GLN A 45 1.007 -14.968 -4.559 1.00 0.00 H new ATOM 0 HA GLN A 45 0.729 -16.019 -1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.390 -16.805 -4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.167 -18.063 -3.707 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.665 -18.136 -2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.361 -16.654 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.048 -19.435 -4.675 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.595 -19.813 -5.440 1.00 0.00 H new ATOM 1158 N GLY A 46 3.508 -16.449 -3.514 1.00 0.00 N ATOM 1159 CA GLY A 46 4.955 -16.795 -3.333 1.00 0.00 C ATOM 1160 C GLY A 46 5.488 -16.088 -2.089 1.00 0.00 C ATOM 1161 O GLY A 46 5.847 -16.722 -1.111 1.00 0.00 O ATOM 0 H GLY A 46 3.246 -16.195 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.073 -17.874 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.526 -16.493 -4.211 1.00 0.00 H new ATOM 1165 N GLN A 47 5.512 -14.787 -2.109 1.00 0.00 N ATOM 1166 CA GLN A 47 5.978 -14.030 -0.919 1.00 0.00 C ATOM 1167 C GLN A 47 4.810 -13.193 -0.406 1.00 0.00 C ATOM 1168 O GLN A 47 4.614 -12.066 -0.818 1.00 0.00 O ATOM 1169 CB GLN A 47 7.128 -13.139 -1.403 1.00 0.00 C ATOM 1170 CG GLN A 47 8.466 -13.784 -1.032 1.00 0.00 C ATOM 1171 CD GLN A 47 9.375 -12.749 -0.358 1.00 0.00 C ATOM 1172 OE1 GLN A 47 9.539 -11.648 -0.853 1.00 0.00 O ATOM 1173 NE2 GLN A 47 9.979 -13.050 0.759 1.00 0.00 N ATOM 0 H GLN A 47 5.227 -14.213 -2.903 1.00 0.00 H new ATOM 0 HA GLN A 47 6.320 -14.674 -0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.066 -13.001 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.051 -12.150 -0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.300 -14.627 -0.361 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.950 -14.179 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.846 -13.970 1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.584 -12.365 1.212 1.00 0.00 H new ATOM 1182 N ARG A 48 4.024 -13.746 0.476 1.00 0.00 N ATOM 1183 CA ARG A 48 2.845 -12.992 1.007 1.00 0.00 C ATOM 1184 C ARG A 48 3.277 -11.710 1.722 1.00 0.00 C ATOM 1185 O ARG A 48 2.465 -10.842 1.974 1.00 0.00 O ATOM 1186 CB ARG A 48 2.153 -13.952 1.979 1.00 0.00 C ATOM 1187 CG ARG A 48 1.359 -14.997 1.177 1.00 0.00 C ATOM 1188 CD ARG A 48 0.816 -16.080 2.115 1.00 0.00 C ATOM 1189 NE ARG A 48 2.017 -16.646 2.792 1.00 0.00 N ATOM 1190 CZ ARG A 48 1.983 -16.893 4.072 1.00 0.00 C ATOM 1191 NH1 ARG A 48 2.339 -15.958 4.915 1.00 0.00 N ATOM 1192 NH2 ARG A 48 1.595 -18.070 4.496 1.00 0.00 N ATOM 0 H ARG A 48 4.144 -14.686 0.854 1.00 0.00 H new ATOM 0 HA ARG A 48 2.180 -12.677 0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.892 -14.445 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.486 -13.400 2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.535 -14.514 0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.999 -15.449 0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.117 -15.660 2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.278 -16.848 1.560 1.00 0.00 H new ATOM 0 HE ARG A 48 2.863 -16.840 2.256 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.639 -15.047 4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.316 -16.140 5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.321 -18.789 3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.567 -18.268 5.496 1.00 0.00 H new ATOM 1206 N ARG A 49 4.532 -11.570 2.049 1.00 0.00 N ATOM 1207 CA ARG A 49 4.973 -10.321 2.743 1.00 0.00 C ATOM 1208 C ARG A 49 5.074 -9.159 1.746 1.00 0.00 C ATOM 1209 O ARG A 49 6.141 -8.625 1.484 1.00 0.00 O ATOM 1210 CB ARG A 49 6.330 -10.623 3.374 1.00 0.00 C ATOM 1211 CG ARG A 49 7.306 -11.155 2.318 1.00 0.00 C ATOM 1212 CD ARG A 49 8.706 -10.587 2.583 1.00 0.00 C ATOM 1213 NE ARG A 49 8.831 -9.417 1.666 1.00 0.00 N ATOM 1214 CZ ARG A 49 10.018 -8.985 1.322 1.00 0.00 C ATOM 1215 NH1 ARG A 49 10.672 -9.552 0.337 1.00 0.00 N ATOM 1216 NH2 ARG A 49 10.545 -7.984 1.971 1.00 0.00 N ATOM 0 H ARG A 49 5.266 -12.256 1.870 1.00 0.00 H new ATOM 0 HA ARG A 49 4.255 -10.021 3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.735 -9.720 3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.212 -11.357 4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.332 -12.244 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.970 -10.871 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.818 -10.285 3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.478 -11.330 2.381 1.00 0.00 H new ATOM 0 HE ARG A 49 7.995 -8.955 1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.256 -10.335 -0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.596 -9.210 0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.033 -7.547 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.469 -7.638 1.712 1.00 0.00 H new ATOM 1230 N GLY A 50 3.963 -8.761 1.203 1.00 0.00 N ATOM 1231 CA GLY A 50 3.948 -7.627 0.236 1.00 0.00 C ATOM 1232 C GLY A 50 3.850 -8.158 -1.204 1.00 0.00 C ATOM 1233 O GLY A 50 3.032 -9.010 -1.490 1.00 0.00 O ATOM 0 H GLY A 50 3.050 -9.177 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.104 -6.970 0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.853 -7.030 0.350 1.00 0.00 H new ATOM 1237 N PRO A 51 4.683 -7.621 -2.069 1.00 0.00 N ATOM 1238 CA PRO A 51 5.667 -6.587 -1.652 1.00 0.00 C ATOM 1239 C PRO A 51 5.013 -5.220 -1.464 1.00 0.00 C ATOM 1240 O PRO A 51 4.238 -4.751 -2.281 1.00 0.00 O ATOM 1241 CB PRO A 51 6.655 -6.533 -2.799 1.00 0.00 C ATOM 1242 CG PRO A 51 5.895 -7.014 -3.990 1.00 0.00 C ATOM 1243 CD PRO A 51 4.791 -7.926 -3.502 1.00 0.00 C ATOM 0 HA PRO A 51 6.125 -6.834 -0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.027 -5.520 -2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.522 -7.164 -2.603 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.478 -6.172 -4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.555 -7.547 -4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.854 -7.731 -4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.037 -8.975 -3.669 1.00 0.00 H new ATOM 1251 N CYS A 52 5.352 -4.578 -0.396 1.00 0.00 N ATOM 1252 CA CYS A 52 4.812 -3.219 -0.109 1.00 0.00 C ATOM 1253 C CYS A 52 5.821 -2.143 -0.517 1.00 0.00 C ATOM 1254 O CYS A 52 7.018 -2.349 -0.434 1.00 0.00 O ATOM 1255 CB CYS A 52 4.583 -3.191 1.398 1.00 0.00 C ATOM 1256 SG CYS A 52 2.991 -3.955 1.784 1.00 0.00 S ATOM 0 H CYS A 52 5.994 -4.938 0.310 1.00 0.00 H new ATOM 0 HA CYS A 52 3.896 -3.019 -0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.386 -3.723 1.908 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.602 -2.163 1.760 1.00 0.00 H new ATOM 1261 N TRP A 53 5.358 -0.985 -0.895 1.00 0.00 N ATOM 1262 CA TRP A 53 6.304 0.122 -1.232 1.00 0.00 C ATOM 1263 C TRP A 53 5.690 1.458 -0.792 1.00 0.00 C ATOM 1264 O TRP A 53 4.485 1.640 -0.830 1.00 0.00 O ATOM 1265 CB TRP A 53 6.573 0.046 -2.752 1.00 0.00 C ATOM 1266 CG TRP A 53 5.388 0.478 -3.567 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.030 1.760 -3.800 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.424 -0.349 -4.283 1.00 0.00 C ATOM 1269 NE1 TRP A 53 3.918 1.776 -4.621 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.494 0.499 -4.932 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.258 -1.737 -4.421 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.444 -0.011 -5.700 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.202 -2.257 -5.189 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.292 -1.394 -5.820 1.00 0.00 C ATOM 0 H TRP A 53 4.369 -0.754 -0.986 1.00 0.00 H new ATOM 0 HA TRP A 53 7.256 0.033 -0.709 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.428 0.675 -2.998 1.00 0.00 H new ATOM 0 HB3 TRP A 53 6.841 -0.976 -3.020 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.532 2.632 -3.408 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.466 2.627 -4.956 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.947 -2.410 -3.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.756 0.658 -6.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.090 -3.326 -5.294 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.475 -1.800 -6.398 1.00 0.00 H new ATOM 1285 N CYS A 54 6.498 2.374 -0.322 1.00 0.00 N ATOM 1286 CA CYS A 54 5.945 3.677 0.168 1.00 0.00 C ATOM 1287 C CYS A 54 5.634 4.630 -0.991 1.00 0.00 C ATOM 1288 O CYS A 54 6.192 4.521 -2.071 1.00 0.00 O ATOM 1289 CB CYS A 54 7.014 4.247 1.091 1.00 0.00 C ATOM 1290 SG CYS A 54 7.103 3.206 2.571 1.00 0.00 S ATOM 0 H CYS A 54 7.511 2.279 -0.256 1.00 0.00 H new ATOM 0 HA CYS A 54 4.998 3.539 0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.979 4.271 0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.772 5.274 1.363 1.00 0.00 H new ATOM 1295 N VAL A 55 4.725 5.545 -0.766 1.00 0.00 N ATOM 1296 CA VAL A 55 4.304 6.513 -1.830 1.00 0.00 C ATOM 1297 C VAL A 55 3.977 7.873 -1.213 1.00 0.00 C ATOM 1298 O VAL A 55 3.890 7.999 -0.006 1.00 0.00 O ATOM 1299 CB VAL A 55 3.030 5.916 -2.436 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.328 4.551 -3.057 1.00 0.00 C ATOM 1301 CG2 VAL A 55 1.976 5.752 -1.338 1.00 0.00 C ATOM 0 H VAL A 55 4.247 5.666 0.127 1.00 0.00 H new ATOM 0 HA VAL A 55 5.091 6.663 -2.569 1.00 0.00 H new ATOM 0 HB VAL A 55 2.659 6.586 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.414 4.138 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.076 4.664 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.706 3.877 -2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.068 5.327 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.358 5.087 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.751 6.725 -0.902 1.00 0.00 H new ATOM 1311 N ASP A 56 3.772 8.880 -2.026 1.00 0.00 N ATOM 1312 CA ASP A 56 3.403 10.211 -1.483 1.00 0.00 C ATOM 1313 C ASP A 56 1.875 10.276 -1.355 1.00 0.00 C ATOM 1314 O ASP A 56 1.182 9.336 -1.681 1.00 0.00 O ATOM 1315 CB ASP A 56 3.934 11.242 -2.492 1.00 0.00 C ATOM 1316 CG ASP A 56 2.879 11.558 -3.551 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.547 10.679 -4.323 1.00 0.00 O ATOM 1318 OD2 ASP A 56 2.422 12.687 -3.576 1.00 0.00 O ATOM 0 H ASP A 56 3.846 8.831 -3.042 1.00 0.00 H new ATOM 0 HA ASP A 56 3.825 10.404 -0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.217 12.156 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.834 10.858 -2.972 1.00 0.00 H new ATOM 1323 N ARG A 57 1.364 11.372 -0.880 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.132 11.527 -0.697 1.00 0.00 C ATOM 1325 C ARG A 57 -0.929 11.182 -1.964 1.00 0.00 C ATOM 1326 O ARG A 57 -2.073 10.767 -1.878 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.363 12.995 -0.297 1.00 0.00 C ATOM 1328 CG ARG A 57 0.356 13.939 -1.266 1.00 0.00 C ATOM 1329 CD ARG A 57 1.548 14.584 -0.545 1.00 0.00 C ATOM 1330 NE ARG A 57 2.665 14.563 -1.531 1.00 0.00 N ATOM 1331 CZ ARG A 57 3.644 15.419 -1.424 1.00 0.00 C ATOM 1332 NH1 ARG A 57 3.429 16.688 -1.655 1.00 0.00 N ATOM 1333 NH2 ARG A 57 4.832 15.002 -1.068 1.00 0.00 N ATOM 0 H ARG A 57 1.912 12.186 -0.603 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.485 10.831 0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.431 13.213 -0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.001 13.162 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.699 13.389 -2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.330 14.708 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.316 15.603 -0.236 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.809 14.029 0.356 1.00 0.00 H new ATOM 0 HE ARG A 57 2.664 13.880 -2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.497 17.008 -1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.193 17.358 -1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.989 14.013 -0.876 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.601 15.666 -0.983 1.00 0.00 H new ATOM 1347 N MET A 58 -0.362 11.338 -3.126 1.00 0.00 N ATOM 1348 CA MET A 58 -1.114 11.002 -4.362 1.00 0.00 C ATOM 1349 C MET A 58 -1.059 9.483 -4.590 1.00 0.00 C ATOM 1350 O MET A 58 -1.877 8.925 -5.297 1.00 0.00 O ATOM 1351 CB MET A 58 -0.398 11.804 -5.463 1.00 0.00 C ATOM 1352 CG MET A 58 -0.341 11.027 -6.776 1.00 0.00 C ATOM 1353 SD MET A 58 -1.560 11.698 -7.929 1.00 0.00 S ATOM 1354 CE MET A 58 -2.997 10.773 -7.320 1.00 0.00 C ATOM 0 H MET A 58 0.587 11.683 -3.272 1.00 0.00 H new ATOM 0 HA MET A 58 -2.174 11.255 -4.329 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.917 12.750 -5.621 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.614 12.046 -5.138 1.00 0.00 H new ATOM 0 HG2 MET A 58 0.658 11.094 -7.207 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.540 9.971 -6.594 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.877 11.041 -7.905 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.809 9.704 -7.417 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.169 11.017 -6.272 1.00 0.00 H new ATOM 1364 N GLY A 59 -0.116 8.810 -3.992 1.00 0.00 N ATOM 1365 CA GLY A 59 -0.029 7.336 -4.171 1.00 0.00 C ATOM 1366 C GLY A 59 1.120 6.984 -5.120 1.00 0.00 C ATOM 1367 O GLY A 59 1.229 5.857 -5.568 1.00 0.00 O ATOM 0 H GLY A 59 0.597 9.218 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.127 6.854 -3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.969 6.955 -4.570 1.00 0.00 H new ATOM 1371 N LYS A 60 1.982 7.923 -5.435 1.00 0.00 N ATOM 1372 CA LYS A 60 3.107 7.630 -6.340 1.00 0.00 C ATOM 1373 C LYS A 60 4.220 6.921 -5.567 1.00 0.00 C ATOM 1374 O LYS A 60 4.615 7.351 -4.498 1.00 0.00 O ATOM 1375 CB LYS A 60 3.573 8.999 -6.818 1.00 0.00 C ATOM 1376 CG LYS A 60 4.734 8.815 -7.774 1.00 0.00 C ATOM 1377 CD LYS A 60 5.856 9.786 -7.408 1.00 0.00 C ATOM 1378 CE LYS A 60 7.091 9.022 -6.908 1.00 0.00 C ATOM 1379 NZ LYS A 60 7.619 8.269 -8.086 1.00 0.00 N ATOM 0 H LYS A 60 1.942 8.883 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 60 2.829 6.978 -7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.756 9.524 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.877 9.612 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.098 7.789 -7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.406 8.991 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.121 10.388 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.511 10.475 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.842 9.709 -6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.827 8.342 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.722 7.264 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.958 8.363 -8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.546 8.655 -8.358 1.00 0.00 H new ATOM 1393 N SER A 61 4.731 5.851 -6.101 1.00 0.00 N ATOM 1394 CA SER A 61 5.822 5.104 -5.407 1.00 0.00 C ATOM 1395 C SER A 61 7.041 6.007 -5.219 1.00 0.00 C ATOM 1396 O SER A 61 7.757 6.301 -6.160 1.00 0.00 O ATOM 1397 CB SER A 61 6.155 3.930 -6.328 1.00 0.00 C ATOM 1398 OG SER A 61 4.947 3.311 -6.762 1.00 0.00 O ATOM 0 H SER A 61 4.440 5.456 -6.995 1.00 0.00 H new ATOM 0 HA SER A 61 5.523 4.765 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.727 4.279 -7.188 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.779 3.207 -5.802 1.00 0.00 H new ATOM 0 HG SER A 61 4.737 2.556 -6.174 1.00 0.00 H new ATOM 1404 N LEU A 62 7.282 6.451 -4.014 1.00 0.00 N ATOM 1405 CA LEU A 62 8.460 7.332 -3.773 1.00 0.00 C ATOM 1406 C LEU A 62 9.743 6.506 -3.964 1.00 0.00 C ATOM 1407 O LEU A 62 10.444 6.707 -4.936 1.00 0.00 O ATOM 1408 CB LEU A 62 8.301 7.855 -2.339 1.00 0.00 C ATOM 1409 CG LEU A 62 7.337 9.045 -2.325 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.889 9.325 -0.890 1.00 0.00 C ATOM 1411 CD2 LEU A 62 8.038 10.284 -2.882 1.00 0.00 C ATOM 0 H LEU A 62 6.717 6.243 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 62 8.524 8.172 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.924 7.062 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.271 8.156 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 62 6.470 8.809 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.203 10.172 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.385 8.446 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.759 9.557 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.349 11.128 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.908 10.517 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.358 10.091 -3.906 1.00 0.00 H new ATOM 1423 N PRO A 63 10.009 5.581 -3.061 1.00 0.00 N ATOM 1424 CA PRO A 63 11.206 4.726 -3.211 1.00 0.00 C ATOM 1425 C PRO A 63 10.892 3.593 -4.202 1.00 0.00 C ATOM 1426 O PRO A 63 10.027 3.722 -5.051 1.00 0.00 O ATOM 1427 CB PRO A 63 11.432 4.183 -1.799 1.00 0.00 C ATOM 1428 CG PRO A 63 10.088 4.206 -1.146 1.00 0.00 C ATOM 1429 CD PRO A 63 9.254 5.245 -1.845 1.00 0.00 C ATOM 0 HA PRO A 63 12.083 5.246 -3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.838 3.172 -1.827 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.146 4.798 -1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.614 3.227 -1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.182 4.442 -0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.264 4.859 -2.089 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.108 6.123 -1.216 1.00 0.00 H new ATOM 1437 N GLY A 64 11.570 2.485 -4.089 1.00 0.00 N ATOM 1438 CA GLY A 64 11.306 1.340 -5.009 1.00 0.00 C ATOM 1439 C GLY A 64 11.005 0.092 -4.183 1.00 0.00 C ATOM 1440 O GLY A 64 9.889 -0.118 -3.749 1.00 0.00 O ATOM 0 H GLY A 64 12.300 2.321 -3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.465 1.570 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.170 1.167 -5.650 1.00 0.00 H new ATOM 1444 N SER A 65 11.989 -0.729 -3.951 1.00 0.00 N ATOM 1445 CA SER A 65 11.764 -1.961 -3.137 1.00 0.00 C ATOM 1446 C SER A 65 11.698 -1.585 -1.652 1.00 0.00 C ATOM 1447 O SER A 65 12.378 -0.670 -1.222 1.00 0.00 O ATOM 1448 CB SER A 65 12.974 -2.868 -3.414 1.00 0.00 C ATOM 1449 OG SER A 65 13.622 -2.452 -4.617 1.00 0.00 O ATOM 0 H SER A 65 12.943 -0.602 -4.289 1.00 0.00 H new ATOM 0 HA SER A 65 10.830 -2.462 -3.391 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.673 -2.823 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.650 -3.905 -3.504 1.00 0.00 H new ATOM 0 HG SER A 65 14.394 -3.031 -4.790 1.00 0.00 H new ATOM 1455 N PRO A 66 10.889 -2.303 -0.910 1.00 0.00 N ATOM 1456 CA PRO A 66 10.748 -2.029 0.547 1.00 0.00 C ATOM 1457 C PRO A 66 12.074 -2.241 1.280 1.00 0.00 C ATOM 1458 O PRO A 66 12.298 -1.686 2.342 1.00 0.00 O ATOM 1459 CB PRO A 66 9.679 -3.026 1.001 1.00 0.00 C ATOM 1460 CG PRO A 66 9.719 -4.110 -0.028 1.00 0.00 C ATOM 1461 CD PRO A 66 10.047 -3.429 -1.332 1.00 0.00 C ATOM 0 HA PRO A 66 10.469 -0.997 0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.896 -3.415 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.695 -2.559 1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.471 -4.858 0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.762 -4.628 -0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.575 -4.095 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.149 -3.091 -1.848 1.00 0.00 H new ATOM 1469 N ASP A 67 12.966 -3.004 0.709 1.00 0.00 N ATOM 1470 CA ASP A 67 14.292 -3.224 1.360 1.00 0.00 C ATOM 1471 C ASP A 67 15.108 -1.922 1.329 1.00 0.00 C ATOM 1472 O ASP A 67 16.115 -1.798 2.001 1.00 0.00 O ATOM 1473 CB ASP A 67 14.980 -4.303 0.517 1.00 0.00 C ATOM 1474 CG ASP A 67 16.222 -4.818 1.242 1.00 0.00 C ATOM 1475 OD1 ASP A 67 16.077 -5.377 2.313 1.00 0.00 O ATOM 1476 OD2 ASP A 67 17.299 -4.659 0.704 1.00 0.00 O ATOM 0 H ASP A 67 12.835 -3.485 -0.181 1.00 0.00 H new ATOM 0 HA ASP A 67 14.197 -3.525 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.290 -5.126 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.259 -3.895 -0.454 1.00 0.00 H new ATOM 1481 N GLY A 68 14.678 -0.952 0.558 1.00 0.00 N ATOM 1482 CA GLY A 68 15.415 0.342 0.482 1.00 0.00 C ATOM 1483 C GLY A 68 14.400 1.479 0.367 1.00 0.00 C ATOM 1484 O GLY A 68 14.434 2.265 -0.563 1.00 0.00 O ATOM 0 H GLY A 68 13.842 -1.005 -0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 68 16.034 0.477 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.085 0.345 -0.378 1.00 0.00 H new ATOM 1488 N ASN A 69 13.487 1.563 1.303 1.00 0.00 N ATOM 1489 CA ASN A 69 12.456 2.649 1.256 1.00 0.00 C ATOM 1490 C ASN A 69 12.912 3.850 2.086 1.00 0.00 C ATOM 1491 O ASN A 69 12.601 4.984 1.773 1.00 0.00 O ATOM 1492 CB ASN A 69 11.174 2.032 1.831 1.00 0.00 C ATOM 1493 CG ASN A 69 10.205 1.713 0.687 1.00 0.00 C ATOM 1494 OD1 ASN A 69 9.057 2.106 0.719 1.00 0.00 O ATOM 1495 ND2 ASN A 69 10.615 1.022 -0.339 1.00 0.00 N ATOM 0 H ASN A 69 13.410 0.928 2.097 1.00 0.00 H new ATOM 0 HA ASN A 69 12.295 3.014 0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.411 1.124 2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.709 2.722 2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.973 0.816 -1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.578 0.687 -0.376 1.00 0.00 H new ATOM 1502 N GLY A 70 13.651 3.612 3.135 1.00 0.00 N ATOM 1503 CA GLY A 70 14.147 4.736 3.984 1.00 0.00 C ATOM 1504 C GLY A 70 13.092 5.126 5.021 1.00 0.00 C ATOM 1505 O GLY A 70 11.941 5.368 4.692 1.00 0.00 O ATOM 0 H GLY A 70 13.935 2.682 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.069 4.442 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.386 5.596 3.358 1.00 0.00 H new ATOM 1509 N SER A 71 13.477 5.202 6.272 1.00 0.00 N ATOM 1510 CA SER A 71 12.509 5.592 7.347 1.00 0.00 C ATOM 1511 C SER A 71 11.961 6.995 7.069 1.00 0.00 C ATOM 1512 O SER A 71 10.804 7.276 7.313 1.00 0.00 O ATOM 1513 CB SER A 71 13.309 5.577 8.657 1.00 0.00 C ATOM 1514 OG SER A 71 14.711 5.593 8.375 1.00 0.00 O ATOM 0 H SER A 71 14.425 5.010 6.597 1.00 0.00 H new ATOM 0 HA SER A 71 11.658 4.913 7.395 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.042 6.441 9.265 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.057 4.689 9.237 1.00 0.00 H new ATOM 0 HG SER A 71 15.214 5.585 9.216 1.00 0.00 H new ATOM 1520 N SER A 72 12.788 7.870 6.546 1.00 0.00 N ATOM 1521 CA SER A 72 12.331 9.257 6.231 1.00 0.00 C ATOM 1522 C SER A 72 11.095 9.195 5.331 1.00 0.00 C ATOM 1523 O SER A 72 10.207 10.023 5.425 1.00 0.00 O ATOM 1524 CB SER A 72 13.509 9.912 5.505 1.00 0.00 C ATOM 1525 OG SER A 72 14.730 9.386 6.027 1.00 0.00 O ATOM 0 H SER A 72 13.765 7.679 6.324 1.00 0.00 H new ATOM 0 HA SER A 72 12.052 9.822 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.444 9.720 4.434 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.478 10.993 5.638 1.00 0.00 H new ATOM 0 HG SER A 72 15.489 9.800 5.565 1.00 0.00 H new ATOM 1531 N SER A 73 11.014 8.206 4.479 1.00 0.00 N ATOM 1532 CA SER A 73 9.816 8.080 3.611 1.00 0.00 C ATOM 1533 C SER A 73 8.684 7.489 4.449 1.00 0.00 C ATOM 1534 O SER A 73 7.568 7.977 4.453 1.00 0.00 O ATOM 1535 CB SER A 73 10.218 7.122 2.480 1.00 0.00 C ATOM 1536 OG SER A 73 11.596 7.300 2.156 1.00 0.00 O ATOM 0 H SER A 73 11.724 7.485 4.350 1.00 0.00 H new ATOM 0 HA SER A 73 9.479 9.033 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.038 6.091 2.784 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.602 7.307 1.600 1.00 0.00 H new ATOM 0 HG SER A 73 11.927 6.505 1.688 1.00 0.00 H new ATOM 1542 N CYS A 74 8.976 6.442 5.166 1.00 0.00 N ATOM 1543 CA CYS A 74 7.947 5.796 6.029 1.00 0.00 C ATOM 1544 C CYS A 74 8.634 5.047 7.180 1.00 0.00 C ATOM 1545 O CYS A 74 9.640 4.400 6.971 1.00 0.00 O ATOM 1546 CB CYS A 74 7.200 4.819 5.114 1.00 0.00 C ATOM 1547 SG CYS A 74 8.316 4.224 3.815 1.00 0.00 S ATOM 0 H CYS A 74 9.895 6.000 5.192 1.00 0.00 H new ATOM 0 HA CYS A 74 7.266 6.520 6.476 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.822 3.978 5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.336 5.312 4.667 1.00 0.00 H new ATOM 1552 N PRO A 75 8.065 5.147 8.357 1.00 0.00 N ATOM 1553 CA PRO A 75 8.638 4.453 9.544 1.00 0.00 C ATOM 1554 C PRO A 75 8.458 2.937 9.416 1.00 0.00 C ATOM 1555 O PRO A 75 9.221 2.167 9.956 1.00 0.00 O ATOM 1556 CB PRO A 75 7.817 4.997 10.705 1.00 0.00 C ATOM 1557 CG PRO A 75 6.525 5.449 10.096 1.00 0.00 C ATOM 1558 CD PRO A 75 6.847 5.901 8.697 1.00 0.00 C ATOM 0 HA PRO A 75 9.708 4.624 9.665 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.649 4.230 11.461 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.330 5.823 11.197 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.797 4.638 10.084 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.087 6.262 10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.033 5.678 8.007 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.017 6.977 8.653 1.00 0.00 H new ATOM 1566 N THR A 76 7.429 2.532 8.715 1.00 0.00 N ATOM 1567 CA THR A 76 7.119 1.074 8.515 1.00 0.00 C ATOM 1568 C THR A 76 8.390 0.207 8.544 1.00 0.00 C ATOM 1569 O THR A 76 9.275 0.347 7.717 1.00 0.00 O ATOM 1570 CB THR A 76 6.434 0.998 7.137 1.00 0.00 C ATOM 1571 OG1 THR A 76 6.156 -0.360 6.804 1.00 0.00 O ATOM 1572 CG2 THR A 76 7.342 1.600 6.062 1.00 0.00 C ATOM 0 H THR A 76 6.771 3.165 8.259 1.00 0.00 H new ATOM 0 HA THR A 76 6.486 0.690 9.315 1.00 0.00 H new ATOM 0 HB THR A 76 5.502 1.562 7.183 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.621 -0.595 5.974 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.847 1.541 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.547 2.643 6.301 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.280 1.045 6.025 1.00 0.00 H new ATOM 1580 N GLY A 77 8.478 -0.682 9.496 1.00 0.00 N ATOM 1581 CA GLY A 77 9.676 -1.563 9.605 1.00 0.00 C ATOM 1582 C GLY A 77 9.956 -1.824 11.086 1.00 0.00 C ATOM 1583 O GLY A 77 9.417 -1.157 11.950 1.00 0.00 O ATOM 0 H GLY A 77 7.765 -0.837 10.209 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.503 -2.503 9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.538 -1.090 9.135 1.00 0.00 H new ATOM 1587 N SER A 78 10.788 -2.780 11.399 1.00 0.00 N ATOM 1588 CA SER A 78 11.088 -3.061 12.837 1.00 0.00 C ATOM 1589 C SER A 78 11.954 -1.933 13.418 1.00 0.00 C ATOM 1590 O SER A 78 13.124 -2.118 13.703 1.00 0.00 O ATOM 1591 CB SER A 78 11.841 -4.395 12.837 1.00 0.00 C ATOM 1592 OG SER A 78 11.271 -5.256 11.850 1.00 0.00 O ATOM 0 H SER A 78 11.272 -3.377 10.728 1.00 0.00 H new ATOM 0 HA SER A 78 10.189 -3.115 13.451 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.898 -4.230 12.626 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.781 -4.860 13.821 1.00 0.00 H new ATOM 0 HG SER A 78 11.751 -6.111 11.845 1.00 0.00 H new ATOM 1598 N SER A 79 11.389 -0.768 13.585 1.00 0.00 N ATOM 1599 CA SER A 79 12.168 0.379 14.133 1.00 0.00 C ATOM 1600 C SER A 79 11.688 0.717 15.547 1.00 0.00 C ATOM 1601 O SER A 79 12.430 0.611 16.506 1.00 0.00 O ATOM 1602 CB SER A 79 11.897 1.544 13.173 1.00 0.00 C ATOM 1603 OG SER A 79 11.860 1.059 11.829 1.00 0.00 O ATOM 0 H SER A 79 10.415 -0.560 13.364 1.00 0.00 H new ATOM 0 HA SER A 79 13.233 0.157 14.207 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.950 2.022 13.424 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.674 2.301 13.276 1.00 0.00 H new ATOM 0 HG SER A 79 11.685 1.804 11.217 1.00 0.00 H new ATOM 1609 N GLY A 80 10.453 1.118 15.683 1.00 0.00 N ATOM 1610 CA GLY A 80 9.914 1.463 17.029 1.00 0.00 C ATOM 1611 C GLY A 80 8.809 2.504 16.871 1.00 0.00 C ATOM 1612 O GLY A 80 9.103 3.680 16.998 1.00 0.00 O ATOM 1613 OXT GLY A 80 7.690 2.115 16.611 1.00 0.00 O ATOM 0 H GLY A 80 9.791 1.222 14.914 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.523 0.571 17.518 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.710 1.852 17.665 1.00 0.00 H new TER 1617 GLY A 80