USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 581 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 26 MET CE :methyl 137:sc= -1.75 (180deg=-3.56!) USER MOD Set 1.2: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 10 TYR OH : rot 30:sc= 0.126 USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0.732 USER MOD Set 2.3: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 MET CE :methyl 180:sc= -0.0119 (180deg=0) USER MOD Set 3.2: A 36 MET CE :methyl 174:sc= -0.685 (180deg=-0.846) USER MOD Set 3.3: A 38 MET CE :methyl -121:sc= -0.0531 (180deg=-0.646) USER MOD Set 3.4: A 44 MET CE :methyl -161:sc= -0.133 (180deg=-0.615) USER MOD Set 4.1: A 3 MET CE :methyl -173:sc=-0.00326 (180deg=-0.095) USER MOD Set 4.2: A 9 THR OG1 : rot -87:sc= 1.22 USER MOD Set 4.3: A 19 HIS : no HD1:sc= 0.69 K(o=1.9,f=-13!) USER MOD Single : A 1 VAL N :NH3+ -165:sc= -0.0198 (180deg=-0.347) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -4.65! K(o=-4.7!,f=-1.7) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.992 K(o=-0.99,f=0) USER MOD Single : A 16 SER OG : rot 85:sc= 1.06 USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 0.137 (180deg=-0.174) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 0.986 (180deg=0.905) USER MOD Single : A 30 ASN : amide:sc= -2.57! C(o=-2.6!,f=-10!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0.118 (180deg=-0.233) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0874) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.17) USER MOD Single : A 57 ASN : amide:sc= 0.458 K(o=0.46,f=-0.41) USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= -0.0086 (180deg=-0.146) USER MOD Single : A 70 HIS : no HD1:sc= -0.0533 X(o=-0.053,f=0.004) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.154 0.403 4.981 1.00 2.42 N ATOM 2 CA VAL A 1 11.738 0.841 5.011 1.00 1.98 C ATOM 3 C VAL A 1 11.548 1.947 6.040 1.00 1.83 C ATOM 4 O VAL A 1 10.916 2.966 5.753 1.00 2.26 O ATOM 5 CB VAL A 1 10.790 -0.336 5.348 1.00 1.77 C ATOM 6 CG1 VAL A 1 9.352 0.142 5.526 1.00 2.46 C ATOM 7 CG2 VAL A 1 10.864 -1.406 4.273 1.00 1.89 C ATOM 0 H1 VAL A 1 13.327 -0.155 4.121 1.00 2.42 H new ATOM 0 H2 VAL A 1 13.775 1.237 4.983 1.00 2.42 H new ATOM 0 H3 VAL A 1 13.355 -0.180 5.818 1.00 2.42 H new ATOM 0 HA VAL A 1 11.490 1.215 4.018 1.00 1.98 H new ATOM 0 HB VAL A 1 11.119 -0.767 6.294 1.00 1.77 H new ATOM 0 HG11 VAL A 1 8.712 -0.709 5.762 1.00 2.46 H new ATOM 0 HG12 VAL A 1 9.307 0.866 6.340 1.00 2.46 H new ATOM 0 HG13 VAL A 1 9.008 0.611 4.604 1.00 2.46 H new ATOM 0 HG21 VAL A 1 10.191 -2.225 4.528 1.00 1.89 H new ATOM 0 HG22 VAL A 1 10.570 -0.979 3.314 1.00 1.89 H new ATOM 0 HG23 VAL A 1 11.884 -1.783 4.205 1.00 1.89 H new ATOM 19 N ASP A 2 12.118 1.733 7.231 1.00 1.77 N ATOM 20 CA ASP A 2 11.964 2.649 8.363 1.00 1.63 C ATOM 21 C ASP A 2 10.527 2.643 8.851 1.00 1.22 C ATOM 22 O ASP A 2 9.626 3.164 8.198 1.00 1.60 O ATOM 23 CB ASP A 2 12.389 4.080 8.017 1.00 2.00 C ATOM 24 CG ASP A 2 13.872 4.217 7.767 1.00 2.77 C ATOM 25 OD1 ASP A 2 14.624 4.461 8.735 1.00 3.11 O ATOM 26 OD2 ASP A 2 14.295 4.090 6.601 1.00 3.48 O ATOM 0 H ASP A 2 12.699 0.920 7.436 1.00 1.77 H new ATOM 0 HA ASP A 2 12.624 2.293 9.155 1.00 1.63 H new ATOM 0 HB2 ASP A 2 11.846 4.409 7.131 1.00 2.00 H new ATOM 0 HB3 ASP A 2 12.102 4.744 8.832 1.00 2.00 H new ATOM 31 N MET A 3 10.309 2.059 10.010 1.00 0.96 N ATOM 32 CA MET A 3 8.963 1.933 10.544 1.00 0.96 C ATOM 33 C MET A 3 8.523 3.231 11.204 1.00 0.91 C ATOM 34 O MET A 3 7.406 3.340 11.715 1.00 1.26 O ATOM 35 CB MET A 3 8.892 0.781 11.542 1.00 1.43 C ATOM 36 CG MET A 3 9.424 -0.534 10.988 1.00 1.59 C ATOM 37 SD MET A 3 8.740 -0.953 9.368 1.00 2.01 S ATOM 38 CE MET A 3 6.995 -1.085 9.747 1.00 2.17 C ATOM 0 H MET A 3 11.041 1.664 10.601 1.00 0.96 H new ATOM 0 HA MET A 3 8.286 1.721 9.717 1.00 0.96 H new ATOM 0 HB2 MET A 3 9.460 1.047 12.434 1.00 1.43 H new ATOM 0 HB3 MET A 3 7.856 0.643 11.853 1.00 1.43 H new ATOM 0 HG2 MET A 3 10.510 -0.476 10.913 1.00 1.59 H new ATOM 0 HG3 MET A 3 9.195 -1.336 11.690 1.00 1.59 H new ATOM 0 HE1 MET A 3 6.460 -1.460 8.874 1.00 2.17 H new ATOM 0 HE2 MET A 3 6.855 -1.773 10.581 1.00 2.17 H new ATOM 0 HE3 MET A 3 6.606 -0.103 10.017 1.00 2.17 H new ATOM 48 N SER A 4 9.401 4.220 11.174 1.00 0.78 N ATOM 49 CA SER A 4 9.128 5.498 11.796 1.00 0.78 C ATOM 50 C SER A 4 8.486 6.463 10.804 1.00 0.72 C ATOM 51 O SER A 4 7.779 7.388 11.201 1.00 0.81 O ATOM 52 CB SER A 4 10.419 6.097 12.361 1.00 0.86 C ATOM 53 OG SER A 4 10.152 7.265 13.115 1.00 1.47 O ATOM 0 H SER A 4 10.313 4.158 10.722 1.00 0.78 H new ATOM 0 HA SER A 4 8.426 5.336 12.614 1.00 0.78 H new ATOM 0 HB2 SER A 4 10.920 5.361 12.990 1.00 0.86 H new ATOM 0 HB3 SER A 4 11.101 6.335 11.545 1.00 0.86 H new ATOM 0 HG SER A 4 10.992 7.627 13.466 1.00 1.47 H new ATOM 59 N ASN A 5 8.707 6.242 9.511 1.00 0.64 N ATOM 60 CA ASN A 5 8.196 7.162 8.506 1.00 0.64 C ATOM 61 C ASN A 5 7.064 6.542 7.714 1.00 0.57 C ATOM 62 O ASN A 5 6.624 7.093 6.717 1.00 0.68 O ATOM 63 CB ASN A 5 9.300 7.642 7.559 1.00 0.69 C ATOM 64 CG ASN A 5 10.105 6.533 6.884 1.00 1.19 C ATOM 65 OD1 ASN A 5 11.285 6.717 6.588 1.00 1.89 O ATOM 66 ND2 ASN A 5 9.489 5.394 6.617 1.00 1.24 N ATOM 0 H ASN A 5 9.228 5.447 9.141 1.00 0.64 H new ATOM 0 HA ASN A 5 7.810 8.029 9.042 1.00 0.64 H new ATOM 0 HB2 ASN A 5 8.849 8.264 6.786 1.00 0.69 H new ATOM 0 HB3 ASN A 5 9.986 8.278 8.119 1.00 0.69 H new ATOM 0 HD21 ASN A 5 9.993 4.638 6.153 1.00 1.24 H new ATOM 0 HD22 ASN A 5 8.510 5.271 6.875 1.00 1.24 H new ATOM 73 N VAL A 6 6.622 5.381 8.141 1.00 0.44 N ATOM 74 CA VAL A 6 5.507 4.724 7.488 1.00 0.40 C ATOM 75 C VAL A 6 4.256 4.766 8.366 1.00 0.40 C ATOM 76 O VAL A 6 4.304 4.430 9.550 1.00 0.47 O ATOM 77 CB VAL A 6 5.875 3.272 7.099 1.00 0.43 C ATOM 78 CG1 VAL A 6 6.249 2.431 8.306 1.00 0.98 C ATOM 79 CG2 VAL A 6 4.751 2.615 6.322 1.00 1.25 C ATOM 0 H VAL A 6 7.014 4.872 8.934 1.00 0.44 H new ATOM 0 HA VAL A 6 5.283 5.267 6.570 1.00 0.40 H new ATOM 0 HB VAL A 6 6.755 3.331 6.458 1.00 0.43 H new ATOM 0 HG11 VAL A 6 6.499 1.421 7.982 1.00 0.98 H new ATOM 0 HG12 VAL A 6 7.110 2.875 8.806 1.00 0.98 H new ATOM 0 HG13 VAL A 6 5.407 2.392 8.997 1.00 0.98 H new ATOM 0 HG21 VAL A 6 5.036 1.596 6.061 1.00 1.25 H new ATOM 0 HG22 VAL A 6 3.849 2.594 6.934 1.00 1.25 H new ATOM 0 HG23 VAL A 6 4.558 3.182 5.411 1.00 1.25 H new ATOM 89 N VAL A 7 3.143 5.218 7.785 1.00 0.38 N ATOM 90 CA VAL A 7 1.874 5.296 8.522 1.00 0.41 C ATOM 91 C VAL A 7 1.175 3.944 8.554 1.00 0.37 C ATOM 92 O VAL A 7 0.425 3.643 9.487 1.00 0.42 O ATOM 93 CB VAL A 7 0.886 6.341 7.939 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.304 7.753 8.294 1.00 0.94 C ATOM 95 CG2 VAL A 7 0.756 6.207 6.432 1.00 1.03 C ATOM 0 H VAL A 7 3.091 5.533 6.816 1.00 0.38 H new ATOM 0 HA VAL A 7 2.147 5.611 9.529 1.00 0.41 H new ATOM 0 HB VAL A 7 -0.086 6.141 8.389 1.00 0.52 H new ATOM 0 HG11 VAL A 7 0.591 8.461 7.871 1.00 0.94 H new ATOM 0 HG12 VAL A 7 1.326 7.864 9.378 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.296 7.951 7.889 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.056 6.955 6.059 1.00 1.03 H new ATOM 0 HG22 VAL A 7 1.730 6.359 5.968 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.388 5.211 6.186 1.00 1.03 H new ATOM 105 N LYS A 8 1.428 3.131 7.538 1.00 0.34 N ATOM 106 CA LYS A 8 0.819 1.811 7.442 1.00 0.35 C ATOM 107 C LYS A 8 1.504 0.985 6.373 1.00 0.31 C ATOM 108 O LYS A 8 1.771 1.465 5.268 1.00 0.35 O ATOM 109 CB LYS A 8 -0.675 1.927 7.123 1.00 0.44 C ATOM 110 CG LYS A 8 -1.436 0.609 7.182 1.00 0.50 C ATOM 111 CD LYS A 8 -1.585 0.123 8.616 1.00 0.57 C ATOM 112 CE LYS A 8 -2.366 -1.180 8.694 1.00 1.01 C ATOM 113 NZ LYS A 8 -2.590 -1.605 10.104 1.00 1.41 N ATOM 0 H LYS A 8 2.053 3.363 6.766 1.00 0.34 H new ATOM 0 HA LYS A 8 0.938 1.315 8.405 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.130 2.627 7.824 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.789 2.354 6.127 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.422 0.735 6.734 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.912 -0.143 6.593 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -0.598 -0.018 9.056 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -2.091 0.886 9.207 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -3.327 -1.059 8.194 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -1.825 -1.961 8.160 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -3.125 -2.497 10.117 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -1.673 -1.745 10.574 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -3.128 -0.871 10.607 1.00 1.41 H new ATOM 127 N THR A 9 1.794 -0.249 6.718 1.00 0.33 N ATOM 128 CA THR A 9 2.363 -1.194 5.784 1.00 0.32 C ATOM 129 C THR A 9 1.322 -2.243 5.406 1.00 0.35 C ATOM 130 O THR A 9 0.568 -2.730 6.247 1.00 0.39 O ATOM 131 CB THR A 9 3.636 -1.845 6.369 1.00 0.33 C ATOM 132 OG1 THR A 9 4.730 -0.928 6.274 1.00 0.40 O ATOM 133 CG2 THR A 9 3.987 -3.155 5.673 1.00 0.33 C ATOM 0 H THR A 9 1.642 -0.626 7.654 1.00 0.33 H new ATOM 0 HA THR A 9 2.657 -0.663 4.878 1.00 0.32 H new ATOM 0 HB THR A 9 3.438 -2.080 7.415 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.166 -1.028 5.402 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.889 -3.574 6.119 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.164 -3.860 5.788 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.160 -2.969 4.613 1.00 0.33 H new ATOM 141 N TYR A 10 1.277 -2.558 4.127 1.00 0.37 N ATOM 142 CA TYR A 10 0.345 -3.525 3.605 1.00 0.42 C ATOM 143 C TYR A 10 1.052 -4.773 3.160 1.00 0.38 C ATOM 144 O TYR A 10 2.006 -4.730 2.387 1.00 0.35 O ATOM 145 CB TYR A 10 -0.463 -2.940 2.456 1.00 0.47 C ATOM 146 CG TYR A 10 -1.840 -2.510 2.880 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.747 -3.412 3.406 1.00 0.70 C ATOM 148 CD2 TYR A 10 -2.222 -1.185 2.749 1.00 0.68 C ATOM 149 CE1 TYR A 10 -4.008 -3.000 3.791 1.00 0.84 C ATOM 150 CE2 TYR A 10 -3.475 -0.765 3.133 1.00 0.82 C ATOM 151 CZ TYR A 10 -4.386 -1.761 3.668 1.00 0.91 C ATOM 152 OH TYR A 10 -5.612 -1.252 4.036 1.00 1.06 O ATOM 0 H TYR A 10 1.889 -2.147 3.422 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.341 -3.788 4.411 1.00 0.42 H new ATOM 0 HB2 TYR A 10 0.069 -2.084 2.041 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -0.546 -3.681 1.661 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.466 -4.449 3.517 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -1.525 -0.470 2.339 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.696 -3.723 4.204 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -3.770 0.270 3.040 1.00 0.82 H new ATOM 0 HH TYR A 10 -5.966 -1.766 4.792 1.00 1.06 H new ATOM 162 N ASP A 11 0.569 -5.878 3.671 1.00 0.42 N ATOM 163 CA ASP A 11 1.104 -7.171 3.325 1.00 0.42 C ATOM 164 C ASP A 11 0.203 -7.808 2.295 1.00 0.39 C ATOM 165 O ASP A 11 -0.978 -8.056 2.541 1.00 0.40 O ATOM 166 CB ASP A 11 1.222 -8.066 4.554 1.00 0.52 C ATOM 167 CG ASP A 11 2.500 -8.878 4.549 1.00 1.25 C ATOM 168 OD1 ASP A 11 2.644 -9.778 3.699 1.00 1.94 O ATOM 169 OD2 ASP A 11 3.372 -8.617 5.401 1.00 1.69 O ATOM 0 H ASP A 11 -0.204 -5.907 4.336 1.00 0.42 H new ATOM 0 HA ASP A 11 2.106 -7.045 2.916 1.00 0.42 H new ATOM 0 HB2 ASP A 11 1.187 -7.452 5.454 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.366 -8.739 4.595 1.00 0.52 H new ATOM 174 N LEU A 12 0.775 -8.074 1.149 1.00 0.38 N ATOM 175 CA LEU A 12 0.030 -8.596 0.020 1.00 0.41 C ATOM 176 C LEU A 12 -0.167 -10.086 0.188 1.00 0.54 C ATOM 177 O LEU A 12 0.667 -10.762 0.785 1.00 1.50 O ATOM 178 CB LEU A 12 0.741 -8.304 -1.306 1.00 0.40 C ATOM 179 CG LEU A 12 0.613 -6.864 -1.812 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.347 -5.883 -0.917 1.00 1.04 C ATOM 181 CD2 LEU A 12 1.104 -6.758 -3.244 1.00 1.04 C ATOM 0 H LEU A 12 1.769 -7.937 0.967 1.00 0.38 H new ATOM 0 HA LEU A 12 -0.940 -8.099 -0.008 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.799 -8.539 -1.192 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.345 -8.976 -2.068 1.00 0.40 H new ATOM 0 HG LEU A 12 -0.444 -6.599 -1.784 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.231 -4.874 -1.311 1.00 1.04 H new ATOM 0 HD12 LEU A 12 0.933 -5.929 0.090 1.00 1.04 H new ATOM 0 HD13 LEU A 12 2.406 -6.141 -0.886 1.00 1.04 H new ATOM 0 HD21 LEU A 12 1.006 -5.728 -3.587 1.00 1.04 H new ATOM 0 HD22 LEU A 12 2.151 -7.058 -3.293 1.00 1.04 H new ATOM 0 HD23 LEU A 12 0.509 -7.411 -3.882 1.00 1.04 H new ATOM 193 N GLN A 13 -1.268 -10.601 -0.338 1.00 0.65 N ATOM 194 CA GLN A 13 -1.586 -12.020 -0.220 1.00 0.62 C ATOM 195 C GLN A 13 -0.560 -12.868 -0.982 1.00 0.62 C ATOM 196 O GLN A 13 -0.489 -14.086 -0.830 1.00 0.74 O ATOM 197 CB GLN A 13 -2.997 -12.270 -0.755 1.00 0.69 C ATOM 198 CG GLN A 13 -3.588 -13.597 -0.322 1.00 0.89 C ATOM 199 CD GLN A 13 -4.999 -13.814 -0.843 1.00 1.08 C ATOM 200 OE1 GLN A 13 -5.417 -14.944 -1.082 1.00 1.68 O ATOM 201 NE2 GLN A 13 -5.746 -12.736 -1.020 1.00 1.61 N ATOM 0 H GLN A 13 -1.960 -10.057 -0.853 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.546 -12.310 0.830 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -3.651 -11.465 -0.420 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.975 -12.230 -1.844 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -2.948 -14.406 -0.674 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.596 -13.647 0.767 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -5.366 -11.813 -0.811 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -6.701 -12.829 -1.365 1.00 1.61 H new ATOM 210 N ASP A 14 0.243 -12.183 -1.783 1.00 0.55 N ATOM 211 CA ASP A 14 1.278 -12.805 -2.604 1.00 0.64 C ATOM 212 C ASP A 14 2.589 -12.863 -1.823 1.00 0.54 C ATOM 213 O ASP A 14 3.503 -13.623 -2.143 1.00 0.70 O ATOM 214 CB ASP A 14 1.438 -11.985 -3.894 1.00 0.80 C ATOM 215 CG ASP A 14 2.723 -12.265 -4.649 1.00 1.46 C ATOM 216 OD1 ASP A 14 2.798 -13.292 -5.357 1.00 1.98 O ATOM 217 OD2 ASP A 14 3.659 -11.440 -4.558 1.00 2.11 O ATOM 0 H ASP A 14 0.196 -11.169 -1.884 1.00 0.55 H new ATOM 0 HA ASP A 14 0.997 -13.826 -2.864 1.00 0.64 H new ATOM 0 HB2 ASP A 14 0.592 -12.190 -4.550 1.00 0.80 H new ATOM 0 HB3 ASP A 14 1.399 -10.925 -3.645 1.00 0.80 H new ATOM 222 N GLY A 15 2.639 -12.074 -0.765 1.00 0.55 N ATOM 223 CA GLY A 15 3.822 -11.990 0.061 1.00 0.73 C ATOM 224 C GLY A 15 4.516 -10.661 -0.072 1.00 0.75 C ATOM 225 O GLY A 15 5.280 -10.258 0.810 1.00 1.28 O ATOM 0 H GLY A 15 1.868 -11.481 -0.459 1.00 0.55 H new ATOM 0 HA2 GLY A 15 3.547 -12.152 1.103 1.00 0.73 H new ATOM 0 HA3 GLY A 15 4.512 -12.787 -0.214 1.00 0.73 H new ATOM 229 N SER A 16 4.264 -9.984 -1.181 1.00 0.37 N ATOM 230 CA SER A 16 4.865 -8.692 -1.428 1.00 0.35 C ATOM 231 C SER A 16 4.301 -7.684 -0.438 1.00 0.29 C ATOM 232 O SER A 16 3.289 -7.945 0.205 1.00 0.33 O ATOM 233 CB SER A 16 4.608 -8.268 -2.876 1.00 0.44 C ATOM 234 OG SER A 16 5.040 -9.278 -3.782 1.00 1.07 O ATOM 0 H SER A 16 3.646 -10.312 -1.923 1.00 0.37 H new ATOM 0 HA SER A 16 5.945 -8.744 -1.287 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.545 -8.074 -3.020 1.00 0.44 H new ATOM 0 HB3 SER A 16 5.133 -7.336 -3.086 1.00 0.44 H new ATOM 0 HG SER A 16 4.329 -9.943 -3.895 1.00 1.07 H new ATOM 240 N LYS A 17 4.973 -6.568 -0.262 1.00 0.26 N ATOM 241 CA LYS A 17 4.549 -5.604 0.732 1.00 0.28 C ATOM 242 C LYS A 17 4.543 -4.184 0.196 1.00 0.30 C ATOM 243 O LYS A 17 5.358 -3.819 -0.640 1.00 0.43 O ATOM 244 CB LYS A 17 5.478 -5.708 1.941 1.00 0.31 C ATOM 245 CG LYS A 17 5.308 -7.005 2.704 1.00 0.71 C ATOM 246 CD LYS A 17 6.553 -7.359 3.490 1.00 0.66 C ATOM 247 CE LYS A 17 6.338 -8.611 4.323 1.00 0.84 C ATOM 248 NZ LYS A 17 5.548 -9.642 3.595 1.00 1.84 N ATOM 0 H LYS A 17 5.807 -6.306 -0.788 1.00 0.26 H new ATOM 0 HA LYS A 17 3.522 -5.835 1.016 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.512 -5.621 1.607 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.289 -4.870 2.612 1.00 0.31 H new ATOM 0 HG2 LYS A 17 4.460 -6.919 3.384 1.00 0.71 H new ATOM 0 HG3 LYS A 17 5.077 -7.810 2.007 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.387 -7.513 2.805 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.824 -6.528 4.141 1.00 0.66 H new ATOM 0 HE2 LYS A 17 7.305 -9.028 4.605 1.00 0.84 H new ATOM 0 HE3 LYS A 17 5.823 -8.347 5.247 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 5.625 -10.553 4.091 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 4.550 -9.352 3.557 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 5.917 -9.743 2.628 1.00 1.84 H new ATOM 262 N VAL A 18 3.601 -3.399 0.689 1.00 0.28 N ATOM 263 CA VAL A 18 3.474 -2.001 0.327 1.00 0.30 C ATOM 264 C VAL A 18 3.525 -1.155 1.588 1.00 0.31 C ATOM 265 O VAL A 18 3.136 -1.610 2.651 1.00 0.41 O ATOM 266 CB VAL A 18 2.139 -1.755 -0.421 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.880 -0.268 -0.635 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.135 -2.482 -1.759 1.00 0.36 C ATOM 0 H VAL A 18 2.898 -3.718 1.356 1.00 0.28 H new ATOM 0 HA VAL A 18 4.295 -1.725 -0.335 1.00 0.30 H new ATOM 0 HB VAL A 18 1.337 -2.150 0.203 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.935 -0.135 -1.162 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.830 0.235 0.331 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.689 0.161 -1.226 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.190 -2.298 -2.270 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.957 -2.117 -2.374 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.255 -3.552 -1.592 1.00 0.36 H new ATOM 278 N HIS A 19 4.046 0.049 1.496 1.00 0.29 N ATOM 279 CA HIS A 19 4.042 0.938 2.642 1.00 0.29 C ATOM 280 C HIS A 19 3.601 2.314 2.224 1.00 0.30 C ATOM 281 O HIS A 19 4.119 2.862 1.257 1.00 0.34 O ATOM 282 CB HIS A 19 5.426 1.047 3.291 1.00 0.32 C ATOM 283 CG HIS A 19 6.238 -0.208 3.275 1.00 0.32 C ATOM 284 ND1 HIS A 19 5.818 -1.406 3.800 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.458 -0.433 2.770 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.748 -2.321 3.608 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.757 -1.757 2.983 1.00 0.41 N ATOM 0 H HIS A 19 4.473 0.433 0.653 1.00 0.29 H new ATOM 0 HA HIS A 19 3.349 0.516 3.371 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.987 1.830 2.782 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.300 1.366 4.326 1.00 0.32 H new ATOM 0 HD2 HIS A 19 8.091 0.294 2.284 1.00 0.37 H new ATOM 0 HE1 HIS A 19 6.690 -3.356 3.912 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.619 -2.225 2.703 1.00 0.41 H new ATOM 296 N VAL A 20 2.655 2.868 2.953 1.00 0.31 N ATOM 297 CA VAL A 20 2.280 4.247 2.751 1.00 0.33 C ATOM 298 C VAL A 20 3.092 5.070 3.722 1.00 0.32 C ATOM 299 O VAL A 20 3.000 4.889 4.936 1.00 0.33 O ATOM 300 CB VAL A 20 0.779 4.514 2.967 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.441 5.961 2.621 1.00 0.56 C ATOM 302 CG2 VAL A 20 -0.060 3.554 2.138 1.00 0.81 C ATOM 0 H VAL A 20 2.135 2.386 3.686 1.00 0.31 H new ATOM 0 HA VAL A 20 2.479 4.513 1.713 1.00 0.33 H new ATOM 0 HB VAL A 20 0.547 4.348 4.019 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.624 6.134 2.779 1.00 0.56 H new ATOM 0 HG12 VAL A 20 1.016 6.632 3.259 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.689 6.153 1.577 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -1.118 3.758 2.304 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.173 3.686 1.081 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.162 2.529 2.433 1.00 0.81 H new ATOM 312 N PHE A 21 3.915 5.937 3.197 1.00 0.34 N ATOM 313 CA PHE A 21 4.839 6.679 4.017 1.00 0.37 C ATOM 314 C PHE A 21 4.218 7.976 4.511 1.00 0.39 C ATOM 315 O PHE A 21 3.292 8.507 3.902 1.00 0.40 O ATOM 316 CB PHE A 21 6.125 6.943 3.237 1.00 0.40 C ATOM 317 CG PHE A 21 6.967 5.710 3.040 1.00 0.41 C ATOM 318 CD1 PHE A 21 6.776 4.911 1.924 1.00 0.37 C ATOM 319 CD2 PHE A 21 7.946 5.343 3.962 1.00 0.58 C ATOM 320 CE1 PHE A 21 7.539 3.776 1.728 1.00 0.39 C ATOM 321 CE2 PHE A 21 8.708 4.210 3.764 1.00 0.64 C ATOM 322 CZ PHE A 21 8.540 3.441 2.699 1.00 0.51 C ATOM 0 H PHE A 21 3.966 6.149 2.201 1.00 0.34 H new ATOM 0 HA PHE A 21 5.081 6.083 4.897 1.00 0.37 H new ATOM 0 HB2 PHE A 21 5.871 7.361 2.263 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.713 7.695 3.763 1.00 0.40 H new ATOM 0 HD1 PHE A 21 6.022 5.179 1.199 1.00 0.37 H new ATOM 0 HD2 PHE A 21 8.110 5.951 4.839 1.00 0.58 H new ATOM 0 HE1 PHE A 21 7.385 3.153 0.860 1.00 0.39 H new ATOM 0 HE2 PHE A 21 9.458 3.944 4.494 1.00 0.64 H new ATOM 0 HZ PHE A 21 9.155 2.564 2.562 1.00 0.51 H new ATOM 332 N LYS A 22 4.738 8.475 5.618 1.00 0.44 N ATOM 333 CA LYS A 22 4.250 9.703 6.229 1.00 0.50 C ATOM 334 C LYS A 22 4.572 10.906 5.346 1.00 0.52 C ATOM 335 O LYS A 22 4.072 12.006 5.565 1.00 0.57 O ATOM 336 CB LYS A 22 4.885 9.874 7.611 1.00 0.61 C ATOM 337 CG LYS A 22 4.392 8.854 8.626 1.00 1.37 C ATOM 338 CD LYS A 22 5.225 8.836 9.899 1.00 1.46 C ATOM 339 CE LYS A 22 5.476 10.230 10.444 1.00 2.02 C ATOM 340 NZ LYS A 22 5.882 10.199 11.874 1.00 2.87 N ATOM 0 H LYS A 22 5.512 8.041 6.121 1.00 0.44 H new ATOM 0 HA LYS A 22 3.167 9.640 6.336 1.00 0.50 H new ATOM 0 HB2 LYS A 22 5.968 9.792 7.519 1.00 0.61 H new ATOM 0 HB3 LYS A 22 4.672 10.877 7.980 1.00 0.61 H new ATOM 0 HG2 LYS A 22 3.355 9.073 8.879 1.00 1.37 H new ATOM 0 HG3 LYS A 22 4.407 7.862 8.174 1.00 1.37 H new ATOM 0 HD2 LYS A 22 4.715 8.239 10.655 1.00 1.46 H new ATOM 0 HD3 LYS A 22 6.180 8.349 9.699 1.00 1.46 H new ATOM 0 HE2 LYS A 22 6.255 10.716 9.856 1.00 2.02 H new ATOM 0 HE3 LYS A 22 4.573 10.831 10.335 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 6.044 11.170 12.210 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 5.128 9.758 12.439 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 6.758 9.647 11.974 1.00 2.87 H new ATOM 354 N ASP A 23 5.421 10.679 4.354 1.00 0.54 N ATOM 355 CA ASP A 23 5.800 11.709 3.411 1.00 0.61 C ATOM 356 C ASP A 23 4.845 11.665 2.238 1.00 0.59 C ATOM 357 O ASP A 23 4.899 12.491 1.329 1.00 0.67 O ATOM 358 CB ASP A 23 7.245 11.493 2.960 1.00 0.68 C ATOM 359 CG ASP A 23 7.774 12.623 2.104 1.00 1.29 C ATOM 360 OD1 ASP A 23 7.529 13.801 2.440 1.00 1.91 O ATOM 361 OD2 ASP A 23 8.456 12.339 1.102 1.00 1.97 O ATOM 0 H ASP A 23 5.863 9.776 4.184 1.00 0.54 H new ATOM 0 HA ASP A 23 5.742 12.692 3.877 1.00 0.61 H new ATOM 0 HB2 ASP A 23 7.881 11.382 3.838 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.309 10.560 2.400 1.00 0.68 H new ATOM 366 N GLY A 24 3.962 10.678 2.275 1.00 0.53 N ATOM 367 CA GLY A 24 2.905 10.596 1.311 1.00 0.53 C ATOM 368 C GLY A 24 3.177 9.660 0.147 1.00 0.53 C ATOM 369 O GLY A 24 2.264 9.358 -0.621 1.00 0.58 O ATOM 0 H GLY A 24 3.967 9.929 2.967 1.00 0.53 H new ATOM 0 HA2 GLY A 24 1.996 10.270 1.816 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.712 11.594 0.919 1.00 0.53 H new ATOM 373 N LYS A 25 4.418 9.217 -0.017 1.00 0.50 N ATOM 374 CA LYS A 25 4.735 8.254 -1.049 1.00 0.51 C ATOM 375 C LYS A 25 4.550 6.833 -0.538 1.00 0.42 C ATOM 376 O LYS A 25 4.141 6.617 0.602 1.00 0.41 O ATOM 377 CB LYS A 25 6.169 8.449 -1.526 1.00 0.62 C ATOM 378 CG LYS A 25 6.325 9.473 -2.639 1.00 0.94 C ATOM 379 CD LYS A 25 5.754 10.841 -2.288 1.00 1.49 C ATOM 380 CE LYS A 25 6.496 11.480 -1.129 1.00 1.50 C ATOM 381 NZ LYS A 25 7.953 11.609 -1.392 1.00 1.74 N ATOM 0 H LYS A 25 5.213 9.511 0.551 1.00 0.50 H new ATOM 0 HA LYS A 25 4.054 8.413 -1.885 1.00 0.51 H new ATOM 0 HB2 LYS A 25 6.783 8.754 -0.679 1.00 0.62 H new ATOM 0 HB3 LYS A 25 6.558 7.491 -1.872 1.00 0.62 H new ATOM 0 HG2 LYS A 25 7.383 9.580 -2.878 1.00 0.94 H new ATOM 0 HG3 LYS A 25 5.831 9.101 -3.537 1.00 0.94 H new ATOM 0 HD2 LYS A 25 5.810 11.493 -3.160 1.00 1.49 H new ATOM 0 HD3 LYS A 25 4.699 10.740 -2.033 1.00 1.49 H new ATOM 0 HE2 LYS A 25 6.076 12.466 -0.932 1.00 1.50 H new ATOM 0 HE3 LYS A 25 6.343 10.883 -0.230 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 8.408 12.096 -0.594 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 8.371 10.663 -1.504 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 8.101 12.158 -2.263 1.00 1.74 H new ATOM 395 N MET A 26 4.872 5.874 -1.384 1.00 0.42 N ATOM 396 CA MET A 26 4.662 4.477 -1.082 1.00 0.41 C ATOM 397 C MET A 26 5.837 3.662 -1.584 1.00 0.42 C ATOM 398 O MET A 26 6.434 3.984 -2.612 1.00 0.49 O ATOM 399 CB MET A 26 3.376 3.945 -1.732 1.00 0.47 C ATOM 400 CG MET A 26 2.097 4.612 -1.250 1.00 0.73 C ATOM 401 SD MET A 26 1.804 6.225 -2.011 1.00 1.07 S ATOM 402 CE MET A 26 1.729 5.780 -3.743 1.00 0.76 C ATOM 0 H MET A 26 5.287 6.045 -2.300 1.00 0.42 H new ATOM 0 HA MET A 26 4.568 4.384 -0.000 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.451 4.073 -2.812 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.305 2.874 -1.542 1.00 0.47 H new ATOM 0 HG2 MET A 26 1.251 3.958 -1.463 1.00 0.73 H new ATOM 0 HG3 MET A 26 2.143 4.731 -0.168 1.00 0.73 H new ATOM 0 HE1 MET A 26 0.904 6.310 -4.219 1.00 0.76 H new ATOM 0 HE2 MET A 26 2.665 6.053 -4.230 1.00 0.76 H new ATOM 0 HE3 MET A 26 1.572 4.705 -3.836 1.00 0.76 H new ATOM 412 N GLY A 27 6.167 2.619 -0.853 1.00 0.39 N ATOM 413 CA GLY A 27 7.246 1.743 -1.248 1.00 0.39 C ATOM 414 C GLY A 27 6.781 0.311 -1.305 1.00 0.32 C ATOM 415 O GLY A 27 6.059 -0.141 -0.411 1.00 0.33 O ATOM 0 H GLY A 27 5.703 2.358 0.017 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.627 2.045 -2.224 1.00 0.39 H new ATOM 0 HA3 GLY A 27 8.071 1.834 -0.542 1.00 0.39 H new ATOM 419 N MET A 28 7.179 -0.402 -2.340 1.00 0.28 N ATOM 420 CA MET A 28 6.735 -1.771 -2.522 1.00 0.27 C ATOM 421 C MET A 28 7.916 -2.734 -2.504 1.00 0.26 C ATOM 422 O MET A 28 8.993 -2.436 -3.016 1.00 0.31 O ATOM 423 CB MET A 28 5.945 -1.913 -3.827 1.00 0.34 C ATOM 424 CG MET A 28 5.356 -3.299 -4.033 1.00 0.45 C ATOM 425 SD MET A 28 4.290 -3.405 -5.485 1.00 0.87 S ATOM 426 CE MET A 28 3.892 -5.152 -5.476 1.00 0.72 C ATOM 0 H MET A 28 7.807 -0.058 -3.066 1.00 0.28 H new ATOM 0 HA MET A 28 6.077 -2.026 -1.691 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.139 -1.180 -3.836 1.00 0.34 H new ATOM 0 HB3 MET A 28 6.600 -1.677 -4.666 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.167 -4.021 -4.131 1.00 0.45 H new ATOM 0 HG3 MET A 28 4.784 -3.580 -3.148 1.00 0.45 H new ATOM 0 HE1 MET A 28 3.236 -5.380 -6.316 1.00 0.72 H new ATOM 0 HE2 MET A 28 4.809 -5.735 -5.563 1.00 0.72 H new ATOM 0 HE3 MET A 28 3.388 -5.406 -4.543 1.00 0.72 H new ATOM 436 N GLU A 29 7.698 -3.876 -1.880 1.00 0.24 N ATOM 437 CA GLU A 29 8.692 -4.929 -1.804 1.00 0.26 C ATOM 438 C GLU A 29 8.047 -6.241 -2.207 1.00 0.27 C ATOM 439 O GLU A 29 6.837 -6.386 -2.087 1.00 0.29 O ATOM 440 CB GLU A 29 9.245 -5.043 -0.382 1.00 0.34 C ATOM 441 CG GLU A 29 10.178 -3.910 -0.012 1.00 0.47 C ATOM 442 CD GLU A 29 10.459 -3.840 1.470 1.00 0.56 C ATOM 443 OE1 GLU A 29 9.537 -3.494 2.237 1.00 0.68 O ATOM 444 OE2 GLU A 29 11.597 -4.156 1.875 1.00 1.14 O ATOM 0 H GLU A 29 6.821 -4.100 -1.409 1.00 0.24 H new ATOM 0 HA GLU A 29 9.517 -4.694 -2.477 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.414 -5.066 0.323 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.775 -5.990 -0.280 1.00 0.34 H new ATOM 0 HG2 GLU A 29 11.119 -4.030 -0.550 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.742 -2.966 -0.339 1.00 0.47 H new ATOM 451 N ASN A 30 8.828 -7.188 -2.688 1.00 0.32 N ATOM 452 CA ASN A 30 8.291 -8.499 -3.025 1.00 0.39 C ATOM 453 C ASN A 30 8.312 -9.405 -1.796 1.00 0.42 C ATOM 454 O ASN A 30 8.871 -9.037 -0.761 1.00 0.42 O ATOM 455 CB ASN A 30 9.085 -9.140 -4.169 1.00 0.47 C ATOM 456 CG ASN A 30 10.490 -9.536 -3.767 1.00 0.79 C ATOM 457 OD1 ASN A 30 11.087 -8.947 -2.870 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.024 -10.546 -4.425 1.00 1.12 N ATOM 0 H ASN A 30 9.828 -7.080 -2.855 1.00 0.32 H new ATOM 0 HA ASN A 30 7.261 -8.372 -3.357 1.00 0.39 H new ATOM 0 HB2 ASN A 30 8.552 -10.023 -4.523 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.136 -8.442 -5.004 1.00 0.47 H new ATOM 0 HD21 ASN A 30 11.966 -10.864 -4.195 1.00 1.12 H new ATOM 0 HD22 ASN A 30 10.496 -11.010 -5.164 1.00 1.12 H new ATOM 465 N LYS A 31 7.659 -10.562 -1.902 1.00 0.48 N ATOM 466 CA LYS A 31 7.677 -11.604 -0.859 1.00 0.54 C ATOM 467 C LYS A 31 9.087 -12.035 -0.406 1.00 0.58 C ATOM 468 O LYS A 31 9.223 -12.971 0.379 1.00 0.69 O ATOM 469 CB LYS A 31 6.901 -12.834 -1.332 1.00 0.62 C ATOM 470 CG LYS A 31 7.337 -13.380 -2.679 1.00 0.66 C ATOM 471 CD LYS A 31 6.474 -14.559 -3.086 1.00 0.78 C ATOM 472 CE LYS A 31 6.808 -15.047 -4.486 1.00 1.32 C ATOM 473 NZ LYS A 31 5.892 -16.130 -4.923 1.00 1.77 N ATOM 0 H LYS A 31 7.097 -10.810 -2.716 1.00 0.48 H new ATOM 0 HA LYS A 31 7.202 -11.150 0.011 1.00 0.54 H new ATOM 0 HB2 LYS A 31 7.005 -13.621 -0.585 1.00 0.62 H new ATOM 0 HB3 LYS A 31 5.842 -12.581 -1.383 1.00 0.62 H new ATOM 0 HG2 LYS A 31 7.269 -12.596 -3.433 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.382 -13.687 -2.631 1.00 0.66 H new ATOM 0 HD2 LYS A 31 6.612 -15.373 -2.375 1.00 0.78 H new ATOM 0 HD3 LYS A 31 5.423 -14.273 -3.042 1.00 0.78 H new ATOM 0 HE2 LYS A 31 6.747 -14.214 -5.186 1.00 1.32 H new ATOM 0 HE3 LYS A 31 7.836 -15.408 -4.510 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 6.151 -16.437 -5.882 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 5.969 -16.935 -4.269 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 4.914 -15.778 -4.924 1.00 1.77 H new ATOM 487 N PHE A 32 10.125 -11.371 -0.889 1.00 0.58 N ATOM 488 CA PHE A 32 11.481 -11.683 -0.479 1.00 0.63 C ATOM 489 C PHE A 32 12.131 -10.470 0.170 1.00 0.56 C ATOM 490 O PHE A 32 13.332 -10.472 0.456 1.00 0.62 O ATOM 491 CB PHE A 32 12.309 -12.169 -1.670 1.00 0.69 C ATOM 492 CG PHE A 32 11.811 -13.459 -2.258 1.00 0.80 C ATOM 493 CD1 PHE A 32 12.160 -14.673 -1.689 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.003 -13.459 -3.382 1.00 0.83 C ATOM 495 CE1 PHE A 32 11.713 -15.863 -2.227 1.00 1.08 C ATOM 496 CE2 PHE A 32 10.550 -14.647 -3.926 1.00 0.96 C ATOM 497 CZ PHE A 32 10.873 -15.840 -3.341 1.00 1.07 C ATOM 0 H PHE A 32 10.052 -10.612 -1.566 1.00 0.58 H new ATOM 0 HA PHE A 32 11.442 -12.487 0.256 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.305 -11.401 -2.443 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.344 -12.298 -1.354 1.00 0.69 H new ATOM 0 HD1 PHE A 32 12.791 -14.689 -0.812 1.00 0.95 H new ATOM 0 HD2 PHE A 32 10.723 -12.521 -3.839 1.00 0.83 H new ATOM 0 HE1 PHE A 32 12.011 -16.804 -1.789 1.00 1.08 H new ATOM 0 HE2 PHE A 32 9.939 -14.632 -4.816 1.00 0.96 H new ATOM 0 HZ PHE A 32 10.479 -16.763 -3.740 1.00 1.07 H new ATOM 507 N GLY A 33 11.336 -9.423 0.396 1.00 0.49 N ATOM 508 CA GLY A 33 11.816 -8.275 1.135 1.00 0.49 C ATOM 509 C GLY A 33 12.638 -7.347 0.281 1.00 0.45 C ATOM 510 O GLY A 33 13.492 -6.618 0.781 1.00 0.54 O ATOM 0 H GLY A 33 10.369 -9.354 0.078 1.00 0.49 H new ATOM 0 HA2 GLY A 33 10.967 -7.730 1.546 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.416 -8.614 1.979 1.00 0.49 H new ATOM 514 N LYS A 34 12.399 -7.387 -1.018 1.00 0.42 N ATOM 515 CA LYS A 34 13.168 -6.577 -1.946 1.00 0.52 C ATOM 516 C LYS A 34 12.320 -5.528 -2.612 1.00 0.38 C ATOM 517 O LYS A 34 11.211 -5.790 -3.070 1.00 0.72 O ATOM 518 CB LYS A 34 13.839 -7.459 -2.987 1.00 0.85 C ATOM 519 CG LYS A 34 14.748 -8.473 -2.347 1.00 1.17 C ATOM 520 CD LYS A 34 16.032 -7.842 -1.839 1.00 1.92 C ATOM 521 CE LYS A 34 16.821 -8.809 -0.974 1.00 2.73 C ATOM 522 NZ LYS A 34 16.052 -9.226 0.229 1.00 3.25 N ATOM 0 H LYS A 34 11.682 -7.969 -1.452 1.00 0.42 H new ATOM 0 HA LYS A 34 13.935 -6.058 -1.371 1.00 0.52 H new ATOM 0 HB2 LYS A 34 13.078 -7.971 -3.576 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.412 -6.839 -3.676 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.228 -8.955 -1.519 1.00 1.17 H new ATOM 0 HG3 LYS A 34 14.988 -9.253 -3.070 1.00 1.17 H new ATOM 0 HD2 LYS A 34 16.643 -7.526 -2.685 1.00 1.92 H new ATOM 0 HD3 LYS A 34 15.796 -6.947 -1.264 1.00 1.92 H new ATOM 0 HE2 LYS A 34 17.085 -9.689 -1.560 1.00 2.73 H new ATOM 0 HE3 LYS A 34 17.755 -8.341 -0.664 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 16.681 -9.731 0.885 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 15.663 -8.385 0.701 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 15.274 -9.854 -0.057 1.00 3.25 H new ATOM 536 N SER A 35 12.893 -4.355 -2.692 1.00 0.46 N ATOM 537 CA SER A 35 12.184 -3.168 -3.127 1.00 0.48 C ATOM 538 C SER A 35 12.028 -3.133 -4.644 1.00 0.58 C ATOM 539 O SER A 35 13.000 -3.314 -5.386 1.00 0.74 O ATOM 540 CB SER A 35 12.931 -1.934 -2.641 1.00 0.69 C ATOM 541 OG SER A 35 13.224 -2.030 -1.255 1.00 1.55 O ATOM 0 H SER A 35 13.872 -4.190 -2.457 1.00 0.46 H new ATOM 0 HA SER A 35 11.182 -3.185 -2.699 1.00 0.48 H new ATOM 0 HB2 SER A 35 13.857 -1.819 -3.205 1.00 0.69 H new ATOM 0 HB3 SER A 35 12.331 -1.044 -2.829 1.00 0.69 H new ATOM 0 HG SER A 35 13.705 -1.227 -0.966 1.00 1.55 H new ATOM 547 N MET A 36 10.806 -2.911 -5.100 1.00 0.58 N ATOM 548 CA MET A 36 10.515 -2.801 -6.522 1.00 0.76 C ATOM 549 C MET A 36 9.359 -1.833 -6.749 1.00 0.87 C ATOM 550 O MET A 36 8.534 -1.627 -5.861 1.00 0.94 O ATOM 551 CB MET A 36 10.221 -4.181 -7.135 1.00 0.81 C ATOM 552 CG MET A 36 9.536 -5.167 -6.193 1.00 1.07 C ATOM 553 SD MET A 36 7.825 -4.744 -5.817 1.00 1.38 S ATOM 554 CE MET A 36 7.071 -4.911 -7.432 1.00 1.15 C ATOM 0 H MET A 36 9.990 -2.802 -4.498 1.00 0.58 H new ATOM 0 HA MET A 36 11.396 -2.404 -7.027 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.593 -4.045 -8.016 1.00 0.81 H new ATOM 0 HB3 MET A 36 11.159 -4.618 -7.477 1.00 0.81 H new ATOM 0 HG2 MET A 36 9.565 -6.161 -6.639 1.00 1.07 H new ATOM 0 HG3 MET A 36 10.101 -5.218 -5.262 1.00 1.07 H new ATOM 0 HE1 MET A 36 5.992 -4.786 -7.344 1.00 1.15 H new ATOM 0 HE2 MET A 36 7.472 -4.150 -8.101 1.00 1.15 H new ATOM 0 HE3 MET A 36 7.290 -5.900 -7.835 1.00 1.15 H new ATOM 564 N ASN A 37 9.325 -1.219 -7.926 1.00 1.03 N ATOM 565 CA ASN A 37 8.319 -0.206 -8.232 1.00 1.17 C ATOM 566 C ASN A 37 6.925 -0.821 -8.309 1.00 0.99 C ATOM 567 O ASN A 37 6.748 -1.933 -8.813 1.00 1.03 O ATOM 568 CB ASN A 37 8.645 0.521 -9.547 1.00 1.55 C ATOM 569 CG ASN A 37 8.476 -0.352 -10.779 1.00 2.18 C ATOM 570 OD1 ASN A 37 7.400 -0.412 -11.375 1.00 2.78 O ATOM 571 ND2 ASN A 37 9.540 -1.028 -11.176 1.00 2.51 N ATOM 0 H ASN A 37 9.982 -1.404 -8.684 1.00 1.03 H new ATOM 0 HA ASN A 37 8.334 0.522 -7.420 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.000 1.395 -9.639 1.00 1.55 H new ATOM 0 HB3 ASN A 37 9.672 0.885 -9.507 1.00 1.55 H new ATOM 0 HD21 ASN A 37 9.486 -1.624 -12.002 1.00 2.51 H new ATOM 0 HD22 ASN A 37 10.415 -0.953 -10.657 1.00 2.51 H new ATOM 578 N MET A 38 5.946 -0.090 -7.796 1.00 1.01 N ATOM 579 CA MET A 38 4.562 -0.534 -7.814 1.00 0.99 C ATOM 580 C MET A 38 3.894 -0.102 -9.114 1.00 0.86 C ATOM 581 O MET A 38 3.881 1.081 -9.449 1.00 0.81 O ATOM 582 CB MET A 38 3.806 0.035 -6.608 1.00 1.23 C ATOM 583 CG MET A 38 2.363 -0.438 -6.503 1.00 0.95 C ATOM 584 SD MET A 38 1.556 0.137 -4.992 1.00 1.15 S ATOM 585 CE MET A 38 -0.067 -0.592 -5.179 1.00 1.32 C ATOM 0 H MET A 38 6.088 0.821 -7.359 1.00 1.01 H new ATOM 0 HA MET A 38 4.539 -1.622 -7.753 1.00 0.99 H new ATOM 0 HB2 MET A 38 4.336 -0.242 -5.696 1.00 1.23 H new ATOM 0 HB3 MET A 38 3.818 1.123 -6.665 1.00 1.23 H new ATOM 0 HG2 MET A 38 1.803 -0.082 -7.368 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.338 -1.527 -6.533 1.00 0.95 H new ATOM 0 HE1 MET A 38 -0.822 0.195 -5.178 1.00 1.32 H new ATOM 0 HE2 MET A 38 -0.114 -1.139 -6.121 1.00 1.32 H new ATOM 0 HE3 MET A 38 -0.256 -1.277 -4.352 1.00 1.32 H new ATOM 595 N PRO A 39 3.360 -1.067 -9.871 1.00 0.92 N ATOM 596 CA PRO A 39 2.710 -0.806 -11.157 1.00 0.91 C ATOM 597 C PRO A 39 1.432 0.015 -11.008 1.00 0.76 C ATOM 598 O PRO A 39 0.508 -0.381 -10.294 1.00 0.83 O ATOM 599 CB PRO A 39 2.381 -2.204 -11.699 1.00 1.16 C ATOM 600 CG PRO A 39 3.185 -3.151 -10.875 1.00 1.24 C ATOM 601 CD PRO A 39 3.359 -2.496 -9.539 1.00 1.13 C ATOM 0 HA PRO A 39 3.353 -0.223 -11.816 1.00 0.91 H new ATOM 0 HB2 PRO A 39 1.315 -2.417 -11.614 1.00 1.16 H new ATOM 0 HB3 PRO A 39 2.639 -2.286 -12.755 1.00 1.16 H new ATOM 0 HG2 PRO A 39 2.676 -4.110 -10.775 1.00 1.24 H new ATOM 0 HG3 PRO A 39 4.151 -3.349 -11.340 1.00 1.24 H new ATOM 0 HD2 PRO A 39 2.549 -2.751 -8.856 1.00 1.13 H new ATOM 0 HD3 PRO A 39 4.289 -2.800 -9.058 1.00 1.13 H new ATOM 609 N GLU A 40 1.389 1.158 -11.677 1.00 0.77 N ATOM 610 CA GLU A 40 0.210 2.011 -11.651 1.00 0.69 C ATOM 611 C GLU A 40 -0.938 1.352 -12.406 1.00 0.73 C ATOM 612 O GLU A 40 -0.726 0.679 -13.414 1.00 1.09 O ATOM 613 CB GLU A 40 0.515 3.378 -12.268 1.00 0.76 C ATOM 614 CG GLU A 40 -0.642 4.358 -12.156 1.00 0.72 C ATOM 615 CD GLU A 40 -0.416 5.641 -12.922 1.00 0.94 C ATOM 616 OE1 GLU A 40 0.469 6.424 -12.523 1.00 1.09 O ATOM 617 OE2 GLU A 40 -1.100 5.857 -13.941 1.00 1.15 O ATOM 0 H GLU A 40 2.157 1.516 -12.245 1.00 0.77 H new ATOM 0 HA GLU A 40 -0.081 2.153 -10.610 1.00 0.69 H new ATOM 0 HB2 GLU A 40 1.391 3.803 -11.778 1.00 0.76 H new ATOM 0 HB3 GLU A 40 0.770 3.246 -13.319 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -1.551 3.880 -12.522 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -0.808 4.595 -11.105 1.00 0.72 H new ATOM 624 N GLY A 41 -2.149 1.526 -11.899 1.00 0.64 N ATOM 625 CA GLY A 41 -3.317 1.025 -12.595 1.00 0.66 C ATOM 626 C GLY A 41 -3.701 -0.375 -12.167 1.00 0.62 C ATOM 627 O GLY A 41 -4.783 -0.857 -12.510 1.00 0.68 O ATOM 0 H GLY A 41 -2.344 2.004 -11.020 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -4.156 1.697 -12.417 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -3.125 1.032 -13.668 1.00 0.66 H new ATOM 631 N LYS A 42 -2.830 -1.028 -11.420 1.00 0.59 N ATOM 632 CA LYS A 42 -3.090 -2.384 -10.973 1.00 0.59 C ATOM 633 C LYS A 42 -3.591 -2.423 -9.545 1.00 0.52 C ATOM 634 O LYS A 42 -2.931 -1.933 -8.630 1.00 0.54 O ATOM 635 CB LYS A 42 -1.834 -3.238 -11.085 1.00 0.67 C ATOM 636 CG LYS A 42 -1.460 -3.589 -12.514 1.00 0.85 C ATOM 637 CD LYS A 42 -2.597 -4.319 -13.210 1.00 1.45 C ATOM 638 CE LYS A 42 -2.227 -4.724 -14.627 1.00 1.85 C ATOM 639 NZ LYS A 42 -1.174 -5.773 -14.648 1.00 2.30 N ATOM 0 H LYS A 42 -1.938 -0.642 -11.110 1.00 0.59 H new ATOM 0 HA LYS A 42 -3.868 -2.786 -11.622 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -1.002 -2.708 -10.621 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -1.980 -4.159 -10.520 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -1.216 -2.680 -13.064 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -0.566 -4.213 -12.517 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -2.863 -5.207 -12.636 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -3.479 -3.679 -13.234 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -3.114 -5.090 -15.143 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -1.878 -3.849 -15.175 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -1.047 -6.118 -15.621 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -0.278 -5.373 -14.302 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -1.459 -6.564 -14.035 1.00 2.30 H new ATOM 653 N VAL A 43 -4.756 -3.018 -9.366 1.00 0.48 N ATOM 654 CA VAL A 43 -5.294 -3.241 -8.039 1.00 0.45 C ATOM 655 C VAL A 43 -4.849 -4.612 -7.535 1.00 0.39 C ATOM 656 O VAL A 43 -4.974 -5.616 -8.240 1.00 0.46 O ATOM 657 CB VAL A 43 -6.839 -3.117 -8.009 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.496 -4.097 -8.970 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.373 -3.313 -6.596 1.00 0.93 C ATOM 0 H VAL A 43 -5.348 -3.356 -10.125 1.00 0.48 H new ATOM 0 HA VAL A 43 -4.904 -2.466 -7.378 1.00 0.45 H new ATOM 0 HB VAL A 43 -7.092 -2.109 -8.336 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.579 -3.982 -8.923 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.154 -3.896 -9.985 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.227 -5.116 -8.691 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.459 -3.221 -6.602 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -7.094 -4.303 -6.236 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -6.948 -2.555 -5.938 1.00 0.93 H new ATOM 669 N MET A 44 -4.309 -4.645 -6.330 1.00 0.35 N ATOM 670 CA MET A 44 -3.785 -5.876 -5.760 1.00 0.36 C ATOM 671 C MET A 44 -4.391 -6.129 -4.391 1.00 0.34 C ATOM 672 O MET A 44 -4.903 -5.207 -3.753 1.00 0.39 O ATOM 673 CB MET A 44 -2.262 -5.818 -5.657 1.00 0.46 C ATOM 674 CG MET A 44 -1.564 -5.799 -7.008 1.00 0.76 C ATOM 675 SD MET A 44 0.231 -5.725 -6.867 1.00 1.31 S ATOM 676 CE MET A 44 0.442 -4.109 -6.122 1.00 1.20 C ATOM 0 H MET A 44 -4.221 -3.830 -5.724 1.00 0.35 H new ATOM 0 HA MET A 44 -4.057 -6.699 -6.421 1.00 0.36 H new ATOM 0 HB2 MET A 44 -1.977 -4.927 -5.097 1.00 0.46 H new ATOM 0 HB3 MET A 44 -1.911 -6.679 -5.087 1.00 0.46 H new ATOM 0 HG2 MET A 44 -1.843 -6.691 -7.568 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.914 -4.940 -7.581 1.00 0.76 H new ATOM 0 HE1 MET A 44 1.466 -3.769 -6.274 1.00 1.20 H new ATOM 0 HE2 MET A 44 -0.247 -3.402 -6.584 1.00 1.20 H new ATOM 0 HE3 MET A 44 0.236 -4.171 -5.054 1.00 1.20 H new ATOM 686 N GLU A 45 -4.330 -7.376 -3.949 1.00 0.31 N ATOM 687 CA GLU A 45 -4.928 -7.764 -2.684 1.00 0.34 C ATOM 688 C GLU A 45 -3.894 -7.969 -1.594 1.00 0.30 C ATOM 689 O GLU A 45 -2.707 -8.188 -1.850 1.00 0.35 O ATOM 690 CB GLU A 45 -5.751 -9.038 -2.841 1.00 0.47 C ATOM 691 CG GLU A 45 -7.145 -8.794 -3.371 1.00 0.99 C ATOM 692 CD GLU A 45 -7.905 -10.079 -3.609 1.00 1.17 C ATOM 693 OE1 GLU A 45 -7.300 -11.044 -4.113 1.00 1.43 O ATOM 694 OE2 GLU A 45 -9.109 -10.132 -3.286 1.00 1.64 O ATOM 0 H GLU A 45 -3.871 -8.137 -4.450 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.577 -6.940 -2.385 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -5.229 -9.718 -3.514 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -5.821 -9.537 -1.875 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -7.696 -8.175 -2.663 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.083 -8.234 -4.304 1.00 0.99 H new ATOM 701 N THR A 46 -4.384 -7.918 -0.376 1.00 0.29 N ATOM 702 CA THR A 46 -3.565 -8.132 0.795 1.00 0.31 C ATOM 703 C THR A 46 -4.000 -9.409 1.500 1.00 0.39 C ATOM 704 O THR A 46 -5.078 -9.936 1.219 1.00 0.49 O ATOM 705 CB THR A 46 -3.659 -6.939 1.765 1.00 0.42 C ATOM 706 OG1 THR A 46 -4.987 -6.833 2.302 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.296 -5.645 1.049 1.00 0.50 C ATOM 0 H THR A 46 -5.364 -7.726 -0.169 1.00 0.29 H new ATOM 0 HA THR A 46 -2.528 -8.227 0.474 1.00 0.31 H new ATOM 0 HB THR A 46 -2.956 -7.107 2.581 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.031 -6.072 2.918 1.00 0.53 H new ATOM 0 HG21 THR A 46 -3.367 -4.811 1.747 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.277 -5.714 0.668 1.00 0.50 H new ATOM 0 HG23 THR A 46 -3.984 -5.483 0.219 1.00 0.50 H new ATOM 715 N ARG A 47 -3.172 -9.908 2.407 1.00 0.39 N ATOM 716 CA ARG A 47 -3.528 -11.083 3.197 1.00 0.51 C ATOM 717 C ARG A 47 -4.700 -10.789 4.106 1.00 0.72 C ATOM 718 O ARG A 47 -5.370 -11.689 4.606 1.00 0.92 O ATOM 719 CB ARG A 47 -2.368 -11.548 4.056 1.00 0.54 C ATOM 720 CG ARG A 47 -1.601 -10.449 4.748 1.00 0.95 C ATOM 721 CD ARG A 47 -0.648 -11.049 5.765 1.00 1.27 C ATOM 722 NE ARG A 47 -0.090 -10.049 6.672 1.00 2.09 N ATOM 723 CZ ARG A 47 0.976 -10.258 7.449 1.00 2.77 C ATOM 724 NH1 ARG A 47 1.574 -11.445 7.460 1.00 2.94 N ATOM 725 NH2 ARG A 47 1.431 -9.284 8.224 1.00 3.73 N ATOM 0 H ARG A 47 -2.252 -9.521 2.615 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.793 -11.867 2.488 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.749 -12.235 4.812 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -1.677 -12.113 3.431 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.045 -9.864 4.015 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -2.292 -9.766 5.242 1.00 0.95 H new ATOM 0 HD2 ARG A 47 -1.173 -11.808 6.346 1.00 1.27 H new ATOM 0 HD3 ARG A 47 0.165 -11.553 5.242 1.00 1.27 H new ATOM 0 HE ARG A 47 -0.542 -9.136 6.714 1.00 2.09 H new ATOM 0 HH11 ARG A 47 1.219 -12.200 6.874 1.00 2.94 H new ATOM 0 HH12 ARG A 47 2.388 -11.601 8.055 1.00 2.94 H new ATOM 0 HH21 ARG A 47 0.967 -8.376 8.227 1.00 3.73 H new ATOM 0 HH22 ARG A 47 2.245 -9.443 8.818 1.00 3.73 H new ATOM 739 N ASP A 48 -4.928 -9.516 4.305 1.00 0.78 N ATOM 740 CA ASP A 48 -5.917 -9.049 5.252 1.00 1.06 C ATOM 741 C ASP A 48 -7.272 -8.869 4.570 1.00 1.04 C ATOM 742 O ASP A 48 -8.306 -8.772 5.229 1.00 1.45 O ATOM 743 CB ASP A 48 -5.401 -7.753 5.871 1.00 1.30 C ATOM 744 CG ASP A 48 -6.333 -7.158 6.912 1.00 1.83 C ATOM 745 OD1 ASP A 48 -6.250 -7.553 8.094 1.00 2.70 O ATOM 746 OD2 ASP A 48 -7.150 -6.284 6.555 1.00 1.79 O ATOM 0 H ASP A 48 -4.434 -8.770 3.816 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.070 -9.782 6.044 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -4.431 -7.942 6.331 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -5.241 -7.021 5.079 1.00 1.30 H new ATOM 751 N GLY A 49 -7.255 -8.851 3.240 1.00 0.68 N ATOM 752 CA GLY A 49 -8.493 -8.818 2.489 1.00 0.72 C ATOM 753 C GLY A 49 -8.821 -7.439 1.973 1.00 0.70 C ATOM 754 O GLY A 49 -9.967 -7.161 1.610 1.00 0.77 O ATOM 0 H GLY A 49 -6.408 -8.859 2.672 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.423 -9.509 1.649 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.308 -9.168 3.123 1.00 0.72 H new ATOM 758 N THR A 50 -7.824 -6.572 1.939 1.00 0.65 N ATOM 759 CA THR A 50 -7.996 -5.235 1.411 1.00 0.69 C ATOM 760 C THR A 50 -7.509 -5.196 -0.033 1.00 0.55 C ATOM 761 O THR A 50 -6.673 -6.010 -0.431 1.00 0.52 O ATOM 762 CB THR A 50 -7.197 -4.199 2.237 1.00 0.83 C ATOM 763 OG1 THR A 50 -7.257 -4.516 3.634 1.00 1.25 O ATOM 764 CG2 THR A 50 -7.742 -2.796 2.021 1.00 1.35 C ATOM 0 H THR A 50 -6.882 -6.775 2.274 1.00 0.65 H new ATOM 0 HA THR A 50 -9.055 -4.982 1.465 1.00 0.69 H new ATOM 0 HB THR A 50 -6.161 -4.235 1.900 1.00 0.83 H new ATOM 0 HG1 THR A 50 -6.745 -3.852 4.142 1.00 1.25 H new ATOM 0 HG21 THR A 50 -7.164 -2.086 2.612 1.00 1.35 H new ATOM 0 HG22 THR A 50 -7.667 -2.535 0.965 1.00 1.35 H new ATOM 0 HG23 THR A 50 -8.787 -2.760 2.330 1.00 1.35 H new ATOM 772 N LYS A 51 -8.033 -4.269 -0.816 1.00 0.53 N ATOM 773 CA LYS A 51 -7.563 -4.077 -2.176 1.00 0.52 C ATOM 774 C LYS A 51 -6.985 -2.681 -2.317 1.00 0.51 C ATOM 775 O LYS A 51 -7.552 -1.710 -1.808 1.00 0.56 O ATOM 776 CB LYS A 51 -8.677 -4.310 -3.200 1.00 0.59 C ATOM 777 CG LYS A 51 -9.135 -5.756 -3.270 1.00 0.67 C ATOM 778 CD LYS A 51 -10.064 -5.999 -4.446 1.00 1.19 C ATOM 779 CE LYS A 51 -10.394 -7.476 -4.585 1.00 1.26 C ATOM 780 NZ LYS A 51 -11.242 -7.747 -5.773 1.00 1.84 N ATOM 0 H LYS A 51 -8.783 -3.638 -0.533 1.00 0.53 H new ATOM 0 HA LYS A 51 -6.786 -4.814 -2.379 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.529 -3.678 -2.950 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -8.327 -3.999 -4.184 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -8.266 -6.409 -3.353 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -9.645 -6.021 -2.344 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -10.983 -5.429 -4.311 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -9.597 -5.639 -5.363 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -9.470 -8.048 -4.661 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -10.908 -7.819 -3.687 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -11.444 -8.766 -5.831 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -12.135 -7.221 -5.689 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -10.742 -7.444 -6.633 1.00 1.84 H new ATOM 794 N ILE A 52 -5.840 -2.599 -2.971 1.00 0.47 N ATOM 795 CA ILE A 52 -5.118 -1.345 -3.111 1.00 0.46 C ATOM 796 C ILE A 52 -4.605 -1.168 -4.537 1.00 0.46 C ATOM 797 O ILE A 52 -4.448 -2.140 -5.272 1.00 0.52 O ATOM 798 CB ILE A 52 -3.915 -1.273 -2.141 1.00 0.48 C ATOM 799 CG1 ILE A 52 -2.972 -2.465 -2.367 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.395 -1.233 -0.695 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.720 -2.430 -1.516 1.00 0.51 C ATOM 0 H ILE A 52 -5.385 -3.395 -3.418 1.00 0.47 H new ATOM 0 HA ILE A 52 -5.821 -0.548 -2.870 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.363 -0.355 -2.342 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.514 -3.388 -2.160 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.684 -2.493 -3.418 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.535 -1.183 -0.027 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.023 -0.355 -0.544 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -4.971 -2.133 -0.478 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.107 -3.305 -1.734 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.154 -1.526 -1.739 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -1.996 -2.434 -0.462 1.00 0.51 H new ATOM 813 N ILE A 53 -4.345 0.075 -4.909 1.00 0.42 N ATOM 814 CA ILE A 53 -3.733 0.383 -6.209 1.00 0.41 C ATOM 815 C ILE A 53 -3.042 1.741 -6.165 1.00 0.42 C ATOM 816 O ILE A 53 -3.473 2.645 -5.452 1.00 0.44 O ATOM 817 CB ILE A 53 -4.737 0.340 -7.409 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.144 1.034 -8.648 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.072 0.957 -7.051 1.00 0.42 C ATOM 820 CD1 ILE A 53 -5.166 1.428 -9.695 1.00 0.98 C ATOM 0 H ILE A 53 -4.545 0.894 -4.334 1.00 0.42 H new ATOM 0 HA ILE A 53 -3.003 -0.407 -6.386 1.00 0.41 H new ATOM 0 HB ILE A 53 -4.909 -0.710 -7.644 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -3.608 1.927 -8.327 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -3.411 0.369 -9.105 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -6.739 0.906 -7.912 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.513 0.411 -6.217 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -5.926 1.999 -6.766 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -4.662 1.910 -10.532 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -5.686 0.538 -10.049 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -5.886 2.120 -9.258 1.00 0.98 H new ATOM 832 N MET A 54 -1.978 1.876 -6.939 1.00 0.44 N ATOM 833 CA MET A 54 -1.266 3.136 -7.049 1.00 0.47 C ATOM 834 C MET A 54 -1.702 3.823 -8.331 1.00 0.48 C ATOM 835 O MET A 54 -1.539 3.274 -9.419 1.00 0.54 O ATOM 836 CB MET A 54 0.250 2.913 -7.055 1.00 0.52 C ATOM 837 CG MET A 54 1.049 4.198 -7.221 1.00 0.60 C ATOM 838 SD MET A 54 2.831 3.929 -7.158 1.00 1.08 S ATOM 839 CE MET A 54 3.430 5.605 -7.344 1.00 1.50 C ATOM 0 H MET A 54 -1.587 1.122 -7.504 1.00 0.44 H new ATOM 0 HA MET A 54 -1.502 3.761 -6.188 1.00 0.47 H new ATOM 0 HB2 MET A 54 0.542 2.430 -6.123 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.506 2.228 -7.863 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.790 4.661 -8.173 1.00 0.60 H new ATOM 0 HG3 MET A 54 0.765 4.901 -6.438 1.00 0.60 H new ATOM 0 HE1 MET A 54 4.520 5.606 -7.325 1.00 1.50 H new ATOM 0 HE2 MET A 54 3.083 6.012 -8.294 1.00 1.50 H new ATOM 0 HE3 MET A 54 3.052 6.219 -6.527 1.00 1.50 H new ATOM 849 N LYS A 55 -2.293 4.993 -8.202 1.00 0.52 N ATOM 850 CA LYS A 55 -2.761 5.728 -9.361 1.00 0.58 C ATOM 851 C LYS A 55 -2.488 7.207 -9.179 1.00 0.66 C ATOM 852 O LYS A 55 -2.789 7.775 -8.130 1.00 0.70 O ATOM 853 CB LYS A 55 -4.257 5.483 -9.596 1.00 0.72 C ATOM 854 CG LYS A 55 -4.783 6.114 -10.878 1.00 0.95 C ATOM 855 CD LYS A 55 -4.080 5.552 -12.105 1.00 0.94 C ATOM 856 CE LYS A 55 -4.477 6.293 -13.374 1.00 1.11 C ATOM 857 NZ LYS A 55 -3.731 5.790 -14.559 1.00 1.69 N ATOM 0 H LYS A 55 -2.461 5.455 -7.308 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.220 5.373 -10.238 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.440 4.409 -9.628 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -4.819 5.878 -8.749 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -5.855 5.937 -10.959 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.641 7.194 -10.838 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -3.001 5.619 -11.968 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -4.323 4.495 -12.211 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -5.548 6.179 -13.542 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -4.286 7.359 -13.249 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -3.800 6.482 -15.332 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -2.732 5.651 -14.307 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -4.139 4.885 -14.868 1.00 1.69 H new ATOM 871 N GLY A 56 -1.895 7.816 -10.193 1.00 0.77 N ATOM 872 CA GLY A 56 -1.595 9.237 -10.150 1.00 0.93 C ATOM 873 C GLY A 56 -0.668 9.615 -9.008 1.00 0.94 C ATOM 874 O GLY A 56 -0.858 10.657 -8.381 1.00 1.21 O ATOM 0 H GLY A 56 -1.612 7.349 -11.055 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -1.139 9.535 -11.094 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -2.526 9.796 -10.055 1.00 0.93 H new ATOM 878 N ASN A 57 0.322 8.760 -8.735 1.00 0.99 N ATOM 879 CA ASN A 57 1.307 8.999 -7.670 1.00 1.05 C ATOM 880 C ASN A 57 0.638 8.903 -6.289 1.00 0.97 C ATOM 881 O ASN A 57 1.240 9.210 -5.260 1.00 1.15 O ATOM 882 CB ASN A 57 1.986 10.370 -7.869 1.00 1.30 C ATOM 883 CG ASN A 57 3.389 10.454 -7.284 1.00 1.96 C ATOM 884 OD1 ASN A 57 4.267 11.096 -7.857 1.00 2.10 O ATOM 885 ND2 ASN A 57 3.608 9.835 -6.136 1.00 2.90 N ATOM 0 H ASN A 57 0.465 7.886 -9.242 1.00 0.99 H new ATOM 0 HA ASN A 57 2.078 8.230 -7.722 1.00 1.05 H new ATOM 0 HB2 ASN A 57 2.034 10.589 -8.936 1.00 1.30 H new ATOM 0 HB3 ASN A 57 1.366 11.141 -7.412 1.00 1.30 H new ATOM 0 HD21 ASN A 57 4.528 9.882 -5.699 1.00 2.90 H new ATOM 0 HD22 ASN A 57 2.856 9.311 -5.688 1.00 2.90 H new ATOM 892 N GLU A 58 -0.598 8.445 -6.279 1.00 0.86 N ATOM 893 CA GLU A 58 -1.347 8.272 -5.044 1.00 0.84 C ATOM 894 C GLU A 58 -1.572 6.797 -4.762 1.00 0.69 C ATOM 895 O GLU A 58 -1.125 5.934 -5.521 1.00 0.75 O ATOM 896 CB GLU A 58 -2.701 8.973 -5.124 1.00 0.88 C ATOM 897 CG GLU A 58 -2.614 10.473 -5.338 1.00 1.05 C ATOM 898 CD GLU A 58 -3.966 11.142 -5.229 1.00 1.30 C ATOM 899 OE1 GLU A 58 -4.746 11.085 -6.201 1.00 1.63 O ATOM 900 OE2 GLU A 58 -4.264 11.718 -4.162 1.00 1.66 O ATOM 0 H GLU A 58 -1.112 8.183 -7.120 1.00 0.86 H new ATOM 0 HA GLU A 58 -0.761 8.715 -4.238 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.277 8.534 -5.939 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -3.252 8.780 -4.204 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -1.936 10.905 -4.602 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -2.188 10.675 -6.321 1.00 1.05 H new ATOM 907 N ILE A 59 -2.286 6.515 -3.687 1.00 0.64 N ATOM 908 CA ILE A 59 -2.598 5.155 -3.318 1.00 0.56 C ATOM 909 C ILE A 59 -4.072 5.037 -2.938 1.00 0.55 C ATOM 910 O ILE A 59 -4.571 5.761 -2.078 1.00 0.63 O ATOM 911 CB ILE A 59 -1.662 4.654 -2.175 1.00 0.62 C ATOM 912 CG1 ILE A 59 -0.813 3.483 -2.670 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.429 4.249 -0.919 1.00 0.58 C ATOM 914 CD1 ILE A 59 -1.599 2.216 -2.934 1.00 0.92 C ATOM 0 H ILE A 59 -2.661 7.220 -3.052 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.421 4.510 -4.179 1.00 0.56 H new ATOM 0 HB ILE A 59 -1.018 5.490 -1.900 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -0.304 3.780 -3.587 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -0.040 3.271 -1.931 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -1.727 3.909 -0.158 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -2.987 5.106 -0.541 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.122 3.443 -1.160 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.923 1.435 -3.282 1.00 0.92 H new ATOM 0 HD12 ILE A 59 -2.086 1.892 -2.014 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -2.354 2.408 -3.696 1.00 0.92 H new ATOM 926 N PHE A 60 -4.768 4.167 -3.643 1.00 0.48 N ATOM 927 CA PHE A 60 -6.130 3.795 -3.315 1.00 0.48 C ATOM 928 C PHE A 60 -6.080 2.722 -2.246 1.00 0.48 C ATOM 929 O PHE A 60 -5.488 1.663 -2.440 1.00 0.45 O ATOM 930 CB PHE A 60 -6.833 3.315 -4.607 1.00 0.50 C ATOM 931 CG PHE A 60 -7.838 2.186 -4.476 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.433 0.881 -4.250 1.00 0.44 C ATOM 933 CD2 PHE A 60 -9.195 2.450 -4.520 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.368 -0.129 -4.084 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.126 1.454 -4.363 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.640 0.071 -4.330 1.00 0.54 C ATOM 0 H PHE A 60 -4.400 3.694 -4.468 1.00 0.48 H new ATOM 0 HA PHE A 60 -6.702 4.636 -2.922 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.343 4.170 -5.051 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -6.064 3.001 -5.313 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.379 0.648 -4.203 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.530 3.464 -4.682 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -8.042 -1.101 -3.745 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.178 1.680 -4.267 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.310 -0.758 -4.503 1.00 0.54 H new ATOM 946 N ARG A 61 -6.620 3.032 -1.090 1.00 0.60 N ATOM 947 CA ARG A 61 -6.840 2.020 -0.089 1.00 0.70 C ATOM 948 C ARG A 61 -8.341 1.866 0.048 1.00 0.69 C ATOM 949 O ARG A 61 -8.991 2.673 0.715 1.00 0.88 O ATOM 950 CB ARG A 61 -6.211 2.419 1.248 1.00 1.03 C ATOM 951 CG ARG A 61 -6.434 1.400 2.351 1.00 1.21 C ATOM 952 CD ARG A 61 -6.112 1.978 3.721 1.00 1.51 C ATOM 953 NE ARG A 61 -6.404 1.025 4.786 1.00 2.25 N ATOM 954 CZ ARG A 61 -6.871 1.357 5.988 1.00 2.70 C ATOM 955 NH1 ARG A 61 -7.067 2.636 6.298 1.00 2.72 N ATOM 956 NH2 ARG A 61 -7.135 0.410 6.878 1.00 3.56 N ATOM 0 H ARG A 61 -6.913 3.972 -0.823 1.00 0.60 H new ATOM 0 HA ARG A 61 -6.374 1.079 -0.383 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -5.140 2.562 1.108 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -6.622 3.378 1.562 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -7.471 1.063 2.332 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -5.811 0.524 2.169 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -5.059 2.258 3.761 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -6.690 2.889 3.878 1.00 1.51 H new ATOM 0 HE ARG A 61 -6.239 0.036 4.597 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -6.859 3.364 5.614 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -7.425 2.888 7.219 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -6.980 -0.570 6.641 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -7.493 0.662 7.799 1.00 3.56 H new ATOM 970 N LEU A 62 -8.862 0.817 -0.581 1.00 0.78 N ATOM 971 CA LEU A 62 -10.305 0.671 -0.880 1.00 1.07 C ATOM 972 C LEU A 62 -10.982 2.014 -1.261 1.00 1.19 C ATOM 973 O LEU A 62 -12.210 2.102 -1.292 1.00 1.40 O ATOM 974 CB LEU A 62 -11.062 0.013 0.285 1.00 1.26 C ATOM 975 CG LEU A 62 -11.036 0.763 1.620 1.00 1.08 C ATOM 976 CD1 LEU A 62 -12.425 0.795 2.235 1.00 1.36 C ATOM 977 CD2 LEU A 62 -10.051 0.109 2.578 1.00 1.32 C ATOM 0 H LEU A 62 -8.299 0.031 -0.905 1.00 0.78 H new ATOM 0 HA LEU A 62 -10.361 0.017 -1.751 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -12.102 -0.118 -0.013 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -10.648 -0.983 0.444 1.00 1.26 H new ATOM 0 HG LEU A 62 -10.712 1.787 1.435 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -12.391 1.331 3.183 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -13.112 1.301 1.557 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -12.770 -0.224 2.407 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -10.045 0.654 3.522 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -10.349 -0.924 2.758 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -9.052 0.128 2.142 1.00 1.32 H new ATOM 989 N ASP A 63 -10.162 3.031 -1.576 1.00 1.20 N ATOM 990 CA ASP A 63 -10.605 4.399 -1.886 1.00 1.33 C ATOM 991 C ASP A 63 -11.292 5.097 -0.707 1.00 1.52 C ATOM 992 O ASP A 63 -10.912 6.199 -0.327 1.00 2.14 O ATOM 993 CB ASP A 63 -11.496 4.422 -3.122 1.00 1.34 C ATOM 994 CG ASP A 63 -12.214 5.746 -3.301 1.00 1.60 C ATOM 995 OD1 ASP A 63 -11.599 6.692 -3.835 1.00 1.69 O ATOM 996 OD2 ASP A 63 -13.392 5.849 -2.908 1.00 1.88 O ATOM 0 H ASP A 63 -9.149 2.921 -1.623 1.00 1.20 H new ATOM 0 HA ASP A 63 -9.699 4.968 -2.095 1.00 1.33 H new ATOM 0 HB2 ASP A 63 -10.890 4.219 -4.005 1.00 1.34 H new ATOM 0 HB3 ASP A 63 -12.232 3.621 -3.049 1.00 1.34 H new ATOM 1001 N GLU A 64 -12.273 4.444 -0.117 1.00 1.62 N ATOM 1002 CA GLU A 64 -13.089 5.057 0.931 1.00 1.93 C ATOM 1003 C GLU A 64 -12.308 5.270 2.225 1.00 1.82 C ATOM 1004 O GLU A 64 -12.738 6.032 3.094 1.00 2.06 O ATOM 1005 CB GLU A 64 -14.340 4.226 1.194 1.00 2.31 C ATOM 1006 CG GLU A 64 -15.231 4.085 -0.025 1.00 2.80 C ATOM 1007 CD GLU A 64 -16.598 3.540 0.316 1.00 3.36 C ATOM 1008 OE1 GLU A 64 -16.724 2.309 0.482 1.00 3.80 O ATOM 1009 OE2 GLU A 64 -17.554 4.336 0.415 1.00 3.77 O ATOM 0 H GLU A 64 -12.531 3.483 -0.342 1.00 1.62 H new ATOM 0 HA GLU A 64 -13.386 6.041 0.568 1.00 1.93 H new ATOM 0 HB2 GLU A 64 -14.044 3.234 1.536 1.00 2.31 H new ATOM 0 HB3 GLU A 64 -14.910 4.685 2.002 1.00 2.31 H new ATOM 0 HG2 GLU A 64 -15.341 5.057 -0.505 1.00 2.80 H new ATOM 0 HG3 GLU A 64 -14.751 3.425 -0.748 1.00 2.80 H new ATOM 1016 N ALA A 65 -11.159 4.615 2.351 1.00 1.56 N ATOM 1017 CA ALA A 65 -10.269 4.862 3.481 1.00 1.58 C ATOM 1018 C ALA A 65 -9.648 6.239 3.349 1.00 1.62 C ATOM 1019 O ALA A 65 -9.247 6.865 4.326 1.00 1.76 O ATOM 1020 CB ALA A 65 -9.187 3.806 3.546 1.00 1.52 C ATOM 0 H ALA A 65 -10.823 3.914 1.690 1.00 1.56 H new ATOM 0 HA ALA A 65 -10.849 4.816 4.403 1.00 1.58 H new ATOM 0 HB1 ALA A 65 -8.533 4.007 4.395 1.00 1.52 H new ATOM 0 HB2 ALA A 65 -9.644 2.824 3.664 1.00 1.52 H new ATOM 0 HB3 ALA A 65 -8.603 3.826 2.626 1.00 1.52 H new ATOM 1026 N LEU A 66 -9.567 6.688 2.117 1.00 1.64 N ATOM 1027 CA LEU A 66 -9.102 8.028 1.805 1.00 1.88 C ATOM 1028 C LEU A 66 -10.277 8.991 1.851 1.00 2.10 C ATOM 1029 O LEU A 66 -10.129 10.164 2.185 1.00 2.36 O ATOM 1030 CB LEU A 66 -8.482 8.043 0.413 1.00 2.16 C ATOM 1031 CG LEU A 66 -7.452 6.945 0.161 1.00 1.52 C ATOM 1032 CD1 LEU A 66 -7.294 6.719 -1.331 1.00 1.76 C ATOM 1033 CD2 LEU A 66 -6.114 7.300 0.802 1.00 1.84 C ATOM 0 H LEU A 66 -9.822 6.136 1.298 1.00 1.64 H new ATOM 0 HA LEU A 66 -8.352 8.333 2.535 1.00 1.88 H new ATOM 0 HB2 LEU A 66 -9.278 7.951 -0.326 1.00 2.16 H new ATOM 0 HB3 LEU A 66 -8.008 9.011 0.252 1.00 2.16 H new ATOM 0 HG LEU A 66 -7.805 6.021 0.619 1.00 1.52 H new ATOM 0 HD11 LEU A 66 -6.558 5.934 -1.504 1.00 1.76 H new ATOM 0 HD12 LEU A 66 -8.251 6.419 -1.757 1.00 1.76 H new ATOM 0 HD13 LEU A 66 -6.959 7.642 -1.805 1.00 1.76 H new ATOM 0 HD21 LEU A 66 -5.396 6.503 0.609 1.00 1.84 H new ATOM 0 HD22 LEU A 66 -5.743 8.233 0.378 1.00 1.84 H new ATOM 0 HD23 LEU A 66 -6.246 7.418 1.878 1.00 1.84 H new ATOM 1045 N ARG A 67 -11.446 8.464 1.507 1.00 2.14 N ATOM 1046 CA ARG A 67 -12.687 9.224 1.517 1.00 2.52 C ATOM 1047 C ARG A 67 -12.992 9.769 2.912 1.00 2.72 C ATOM 1048 O ARG A 67 -12.968 10.978 3.138 1.00 3.05 O ATOM 1049 CB ARG A 67 -13.840 8.335 1.040 1.00 2.77 C ATOM 1050 CG ARG A 67 -15.183 9.031 1.018 1.00 3.00 C ATOM 1051 CD ARG A 67 -16.319 8.064 0.720 1.00 3.22 C ATOM 1052 NE ARG A 67 -17.621 8.723 0.811 1.00 3.39 N ATOM 1053 CZ ARG A 67 -18.793 8.115 0.618 1.00 3.94 C ATOM 1054 NH1 ARG A 67 -18.850 6.820 0.327 1.00 4.45 N ATOM 1055 NH2 ARG A 67 -19.916 8.810 0.739 1.00 4.37 N ATOM 0 H ARG A 67 -11.559 7.494 1.212 1.00 2.14 H new ATOM 0 HA ARG A 67 -12.574 10.072 0.841 1.00 2.52 H new ATOM 0 HB2 ARG A 67 -13.614 7.971 0.038 1.00 2.77 H new ATOM 0 HB3 ARG A 67 -13.905 7.462 1.689 1.00 2.77 H new ATOM 0 HG2 ARG A 67 -15.359 9.512 1.980 1.00 3.00 H new ATOM 0 HG3 ARG A 67 -15.171 9.820 0.266 1.00 3.00 H new ATOM 0 HD2 ARG A 67 -16.190 7.646 -0.279 1.00 3.22 H new ATOM 0 HD3 ARG A 67 -16.282 7.230 1.421 1.00 3.22 H new ATOM 0 HE ARG A 67 -17.634 9.717 1.038 1.00 3.39 H new ATOM 0 HH11 ARG A 67 -17.990 6.277 0.248 1.00 4.45 H new ATOM 0 HH12 ARG A 67 -19.753 6.369 0.182 1.00 4.45 H new ATOM 0 HH21 ARG A 67 -19.879 9.801 0.978 1.00 4.37 H new ATOM 0 HH22 ARG A 67 -20.816 8.354 0.593 1.00 4.37 H new ATOM 1069 N LYS A 68 -13.269 8.870 3.850 1.00 2.79 N ATOM 1070 CA LYS A 68 -13.658 9.276 5.196 1.00 3.26 C ATOM 1071 C LYS A 68 -12.874 8.508 6.250 1.00 3.31 C ATOM 1072 O LYS A 68 -13.232 8.496 7.426 1.00 3.49 O ATOM 1073 CB LYS A 68 -15.156 9.058 5.404 1.00 3.73 C ATOM 1074 CG LYS A 68 -15.612 7.627 5.160 1.00 4.12 C ATOM 1075 CD LYS A 68 -17.110 7.473 5.377 1.00 4.65 C ATOM 1076 CE LYS A 68 -17.560 6.038 5.159 1.00 5.37 C ATOM 1077 NZ LYS A 68 -16.978 5.110 6.165 1.00 5.92 N ATOM 0 H LYS A 68 -13.232 7.861 3.705 1.00 2.79 H new ATOM 0 HA LYS A 68 -13.431 10.337 5.304 1.00 3.26 H new ATOM 0 HB2 LYS A 68 -15.416 9.343 6.423 1.00 3.73 H new ATOM 0 HB3 LYS A 68 -15.706 9.722 4.737 1.00 3.73 H new ATOM 0 HG2 LYS A 68 -15.359 7.332 4.142 1.00 4.12 H new ATOM 0 HG3 LYS A 68 -15.076 6.954 5.829 1.00 4.12 H new ATOM 0 HD2 LYS A 68 -17.366 7.786 6.389 1.00 4.65 H new ATOM 0 HD3 LYS A 68 -17.647 8.131 4.694 1.00 4.65 H new ATOM 0 HE2 LYS A 68 -18.648 5.988 5.207 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -17.270 5.716 4.159 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -17.450 4.186 6.098 1.00 5.92 H new ATOM 0 HZ2 LYS A 68 -15.961 4.994 5.982 1.00 5.92 H new ATOM 0 HZ3 LYS A 68 -17.116 5.501 7.119 1.00 5.92 H new ATOM 1091 N GLY A 69 -11.791 7.886 5.823 1.00 3.64 N ATOM 1092 CA GLY A 69 -10.982 7.094 6.730 1.00 4.05 C ATOM 1093 C GLY A 69 -9.792 7.863 7.269 1.00 4.58 C ATOM 1094 O GLY A 69 -8.782 7.270 7.650 1.00 5.06 O ATOM 0 H GLY A 69 -11.453 7.913 4.861 1.00 3.64 H new ATOM 0 HA2 GLY A 69 -11.600 6.757 7.562 1.00 4.05 H new ATOM 0 HA3 GLY A 69 -10.630 6.202 6.212 1.00 4.05 H new ATOM 1098 N HIS A 70 -9.899 9.185 7.284 1.00 4.87 N ATOM 1099 CA HIS A 70 -8.842 10.024 7.834 1.00 5.68 C ATOM 1100 C HIS A 70 -9.032 10.179 9.333 1.00 6.44 C ATOM 1101 O HIS A 70 -9.979 10.822 9.792 1.00 6.88 O ATOM 1102 CB HIS A 70 -8.801 11.395 7.155 1.00 5.88 C ATOM 1103 CG HIS A 70 -8.076 11.387 5.844 1.00 5.93 C ATOM 1104 ND1 HIS A 70 -6.720 11.599 5.741 1.00 6.60 N ATOM 1105 CD2 HIS A 70 -8.520 11.193 4.579 1.00 5.65 C ATOM 1106 CE1 HIS A 70 -6.358 11.531 4.474 1.00 6.67 C ATOM 1107 NE2 HIS A 70 -7.432 11.287 3.747 1.00 6.10 N ATOM 0 H HIS A 70 -10.703 9.698 6.923 1.00 4.87 H new ATOM 0 HA HIS A 70 -7.887 9.535 7.642 1.00 5.68 H new ATOM 0 HB2 HIS A 70 -9.821 11.744 6.996 1.00 5.88 H new ATOM 0 HB3 HIS A 70 -8.320 12.109 7.823 1.00 5.88 H new ATOM 0 HD2 HIS A 70 -9.540 11.000 4.281 1.00 5.65 H new ATOM 0 HE1 HIS A 70 -5.354 11.654 4.096 1.00 6.67 H new ATOM 0 HE2 HIS A 70 -7.451 11.185 2.732 1.00 6.10 H new ATOM 1116 N SER A 71 -8.140 9.565 10.090 1.00 6.86 N ATOM 1117 CA SER A 71 -8.250 9.538 11.536 1.00 7.78 C ATOM 1118 C SER A 71 -7.107 10.301 12.192 1.00 8.28 C ATOM 1119 O SER A 71 -7.236 10.757 13.326 1.00 8.52 O ATOM 1120 CB SER A 71 -8.245 8.088 12.022 1.00 8.22 C ATOM 1121 OG SER A 71 -9.205 7.310 11.323 1.00 8.32 O ATOM 0 H SER A 71 -7.325 9.075 9.722 1.00 6.86 H new ATOM 0 HA SER A 71 -9.186 10.021 11.816 1.00 7.78 H new ATOM 0 HB2 SER A 71 -7.253 7.658 11.882 1.00 8.22 H new ATOM 0 HB3 SER A 71 -8.458 8.059 13.091 1.00 8.22 H new ATOM 0 HG SER A 71 -9.180 6.387 11.652 1.00 8.32 H new ATOM 1127 N GLU A 72 -6.005 10.456 11.457 1.00 8.69 N ATOM 1128 CA GLU A 72 -4.773 11.020 12.005 1.00 9.41 C ATOM 1129 C GLU A 72 -4.231 10.095 13.091 1.00 10.13 C ATOM 1130 O GLU A 72 -4.550 10.231 14.271 1.00 10.75 O ATOM 1131 CB GLU A 72 -4.998 12.446 12.537 1.00 9.75 C ATOM 1132 CG GLU A 72 -3.780 13.063 13.214 1.00 9.88 C ATOM 1133 CD GLU A 72 -2.564 13.121 12.313 1.00 10.01 C ATOM 1134 OE1 GLU A 72 -2.517 13.991 11.420 1.00 10.45 O ATOM 1135 OE2 GLU A 72 -1.641 12.298 12.494 1.00 9.88 O ATOM 0 H GLU A 72 -5.942 10.196 10.473 1.00 8.69 H new ATOM 0 HA GLU A 72 -4.033 11.096 11.208 1.00 9.41 H new ATOM 0 HB2 GLU A 72 -5.302 13.086 11.709 1.00 9.75 H new ATOM 0 HB3 GLU A 72 -5.825 12.430 13.247 1.00 9.75 H new ATOM 0 HG2 GLU A 72 -4.028 14.072 13.545 1.00 9.88 H new ATOM 0 HG3 GLU A 72 -3.536 12.486 14.106 1.00 9.88 H new ATOM 1142 N GLY A 73 -3.423 9.137 12.671 1.00 10.25 N ATOM 1143 CA GLY A 73 -2.970 8.097 13.567 1.00 11.09 C ATOM 1144 C GLY A 73 -3.517 6.746 13.155 1.00 11.37 C ATOM 1145 O GLY A 73 -3.035 6.140 12.196 1.00 11.62 O ATOM 0 H GLY A 73 -3.070 9.061 11.717 1.00 10.25 H new ATOM 0 HA2 GLY A 73 -1.880 8.066 13.571 1.00 11.09 H new ATOM 0 HA3 GLY A 73 -3.286 8.326 14.585 1.00 11.09 H new ATOM 1149 N GLY A 74 -4.546 6.288 13.851 1.00 11.55 N ATOM 1150 CA GLY A 74 -5.166 5.027 13.514 1.00 12.06 C ATOM 1151 C GLY A 74 -5.767 4.357 14.726 1.00 12.56 C ATOM 1152 O GLY A 74 -6.137 5.074 15.676 1.00 12.99 O ATOM 1153 OXT GLY A 74 -5.879 3.112 14.733 1.00 12.71 O ATOM 0 H GLY A 74 -4.963 6.771 14.647 1.00 11.55 H new ATOM 0 HA2 GLY A 74 -5.943 5.192 12.767 1.00 12.06 H new ATOM 0 HA3 GLY A 74 -4.425 4.367 13.063 1.00 12.06 H new TER 1157 GLY A 74