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 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 MET CE :methyl -132:sc= -0.224 (180deg=-0.711) USER MOD Set 2.1: A 3 MET CE :methyl 143:sc=-0.00166 (180deg=-0.504) USER MOD Set 2.2: A 9 THR OG1 : rot -67:sc= 0.978 USER MOD Set 2.3: A 19 HIS : no HD1:sc= 1 K(o=2,f=-19!) USER MOD Single : A 1 VAL N :NH3+ 176:sc= 0.621 (180deg=0.513) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -6.2! K(o=-6.2!,f=-0.88) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -148:sc= -3.53! USER MOD Single : A 13 GLN : amide:sc= -0.732 K(o=-0.73,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00183 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= 0.987 (180deg=-0.344!) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0227) USER MOD Single : A 26 MET CE :methyl -117:sc= -0.507 (180deg=-5.47!) USER MOD Single : A 30 ASN : amide:sc= -4.27! C(o=-4.3!,f=-12!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc=-0.00601 (180deg=-0.12) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0397 USER MOD Single : A 37 ASN : amide:sc= -0.0377 X(o=-0.038,f=-0.042) USER MOD Single : A 38 MET CE :methyl -165:sc= -0.957 (180deg=-1.26) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 162:sc= -0.0658 (180deg=-0.505) USER MOD Single : A 46 THR OG1 : rot -69:sc= 1.71 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -162:sc= -1.3 (180deg=-2.17!) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= 1.04 (180deg=0.906) USER MOD Single : A 57 ASN : amide:sc= -0.305 X(o=-0.3,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 1.15 (180deg=0.693) USER MOD Single : A 70 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-5.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.238 -2.484 4.236 1.00 2.42 N ATOM 2 CA VAL A 1 12.736 -1.091 4.354 1.00 1.98 C ATOM 3 C VAL A 1 12.451 -0.551 5.750 1.00 1.83 C ATOM 4 O VAL A 1 12.027 -1.295 6.632 1.00 2.26 O ATOM 5 CB VAL A 1 12.105 -0.153 3.300 1.00 1.77 C ATOM 6 CG1 VAL A 1 12.468 -0.594 1.892 1.00 2.46 C ATOM 7 CG2 VAL A 1 10.595 -0.081 3.467 1.00 1.89 C ATOM 0 H1 VAL A 1 12.375 -2.820 3.262 1.00 2.42 H new ATOM 0 H2 VAL A 1 12.763 -3.097 4.891 1.00 2.42 H new ATOM 0 H3 VAL A 1 11.226 -2.512 4.472 1.00 2.42 H new ATOM 0 HA VAL A 1 13.811 -1.117 4.175 1.00 1.98 H new ATOM 0 HB VAL A 1 12.511 0.846 3.459 1.00 1.77 H new ATOM 0 HG11 VAL A 1 12.011 0.083 1.170 1.00 2.46 H new ATOM 0 HG12 VAL A 1 13.551 -0.575 1.773 1.00 2.46 H new ATOM 0 HG13 VAL A 1 12.102 -1.607 1.722 1.00 2.46 H new ATOM 0 HG21 VAL A 1 10.177 0.586 2.713 1.00 1.89 H new ATOM 0 HG22 VAL A 1 10.168 -1.077 3.348 1.00 1.89 H new ATOM 0 HG23 VAL A 1 10.357 0.300 4.460 1.00 1.89 H new ATOM 19 N ASP A 2 12.678 0.744 5.942 1.00 1.77 N ATOM 20 CA ASP A 2 12.454 1.384 7.236 1.00 1.63 C ATOM 21 C ASP A 2 10.973 1.377 7.608 1.00 1.22 C ATOM 22 O ASP A 2 10.114 1.699 6.783 1.00 1.60 O ATOM 23 CB ASP A 2 12.976 2.822 7.218 1.00 2.00 C ATOM 24 CG ASP A 2 12.734 3.538 8.529 1.00 2.77 C ATOM 25 OD1 ASP A 2 13.597 3.452 9.425 1.00 3.11 O ATOM 26 OD2 ASP A 2 11.681 4.192 8.667 1.00 3.48 O ATOM 0 H ASP A 2 13.018 1.374 5.216 1.00 1.77 H new ATOM 0 HA ASP A 2 13.000 0.813 7.987 1.00 1.63 H new ATOM 0 HB2 ASP A 2 14.044 2.816 7.002 1.00 2.00 H new ATOM 0 HB3 ASP A 2 12.491 3.372 6.411 1.00 2.00 H new ATOM 31 N MET A 3 10.685 1.008 8.851 1.00 0.96 N ATOM 32 CA MET A 3 9.317 0.903 9.334 1.00 0.96 C ATOM 33 C MET A 3 8.951 2.081 10.233 1.00 0.91 C ATOM 34 O MET A 3 7.906 2.077 10.889 1.00 1.26 O ATOM 35 CB MET A 3 9.158 -0.392 10.117 1.00 1.43 C ATOM 36 CG MET A 3 9.406 -1.619 9.272 1.00 1.59 C ATOM 37 SD MET A 3 8.163 -1.826 7.983 1.00 2.01 S ATOM 38 CE MET A 3 9.061 -2.887 6.862 1.00 2.17 C ATOM 0 H MET A 3 11.392 0.774 9.548 1.00 0.96 H new ATOM 0 HA MET A 3 8.650 0.911 8.472 1.00 0.96 H new ATOM 0 HB2 MET A 3 9.850 -0.390 10.959 1.00 1.43 H new ATOM 0 HB3 MET A 3 8.151 -0.439 10.532 1.00 1.43 H new ATOM 0 HG2 MET A 3 10.393 -1.548 8.814 1.00 1.59 H new ATOM 0 HG3 MET A 3 9.414 -2.502 9.911 1.00 1.59 H new ATOM 0 HE1 MET A 3 8.377 -3.612 6.421 1.00 2.17 H new ATOM 0 HE2 MET A 3 9.511 -2.285 6.073 1.00 2.17 H new ATOM 0 HE3 MET A 3 9.844 -3.413 7.408 1.00 2.17 H new ATOM 48 N SER A 4 9.803 3.092 10.259 1.00 0.78 N ATOM 49 CA SER A 4 9.617 4.223 11.154 1.00 0.78 C ATOM 50 C SER A 4 8.942 5.386 10.434 1.00 0.72 C ATOM 51 O SER A 4 8.240 6.187 11.050 1.00 0.81 O ATOM 52 CB SER A 4 10.968 4.659 11.719 1.00 0.86 C ATOM 53 OG SER A 4 11.631 3.566 12.340 1.00 1.47 O ATOM 0 H SER A 4 10.633 3.153 9.669 1.00 0.78 H new ATOM 0 HA SER A 4 8.967 3.915 11.973 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.590 5.060 10.919 1.00 0.86 H new ATOM 0 HB3 SER A 4 10.823 5.461 12.443 1.00 0.86 H new ATOM 0 HG SER A 4 12.495 3.865 12.694 1.00 1.47 H new ATOM 59 N ASN A 5 9.138 5.461 9.126 1.00 0.64 N ATOM 60 CA ASN A 5 8.577 6.548 8.332 1.00 0.64 C ATOM 61 C ASN A 5 7.337 6.095 7.590 1.00 0.57 C ATOM 62 O ASN A 5 6.873 6.751 6.666 1.00 0.68 O ATOM 63 CB ASN A 5 9.604 7.081 7.329 1.00 0.69 C ATOM 64 CG ASN A 5 10.266 5.996 6.489 1.00 1.19 C ATOM 65 OD1 ASN A 5 11.412 6.143 6.064 1.00 1.89 O ATOM 66 ND2 ASN A 5 9.558 4.907 6.239 1.00 1.24 N ATOM 0 H ASN A 5 9.681 4.783 8.591 1.00 0.64 H new ATOM 0 HA ASN A 5 8.305 7.347 9.021 1.00 0.64 H new ATOM 0 HB2 ASN A 5 9.113 7.793 6.665 1.00 0.69 H new ATOM 0 HB3 ASN A 5 10.375 7.629 7.870 1.00 0.69 H new ATOM 0 HD21 ASN A 5 9.959 4.156 5.678 1.00 1.24 H new ATOM 0 HD22 ASN A 5 8.611 4.819 6.607 1.00 1.24 H new ATOM 73 N VAL A 6 6.833 4.944 7.955 1.00 0.44 N ATOM 74 CA VAL A 6 5.659 4.430 7.300 1.00 0.40 C ATOM 75 C VAL A 6 4.432 4.509 8.201 1.00 0.40 C ATOM 76 O VAL A 6 4.452 4.064 9.348 1.00 0.47 O ATOM 77 CB VAL A 6 5.889 2.997 6.781 1.00 0.43 C ATOM 78 CG1 VAL A 6 6.227 2.020 7.891 1.00 0.98 C ATOM 79 CG2 VAL A 6 4.679 2.531 6.015 1.00 1.25 C ATOM 0 H VAL A 6 7.212 4.351 8.693 1.00 0.44 H new ATOM 0 HA VAL A 6 5.464 5.065 6.435 1.00 0.40 H new ATOM 0 HB VAL A 6 6.754 3.025 6.118 1.00 0.43 H new ATOM 0 HG11 VAL A 6 6.379 1.027 7.468 1.00 0.98 H new ATOM 0 HG12 VAL A 6 7.138 2.343 8.395 1.00 0.98 H new ATOM 0 HG13 VAL A 6 5.408 1.987 8.609 1.00 0.98 H new ATOM 0 HG21 VAL A 6 4.847 1.518 5.651 1.00 1.25 H new ATOM 0 HG22 VAL A 6 3.808 2.541 6.670 1.00 1.25 H new ATOM 0 HG23 VAL A 6 4.505 3.196 5.169 1.00 1.25 H new ATOM 89 N VAL A 7 3.372 5.115 7.677 1.00 0.38 N ATOM 90 CA VAL A 7 2.129 5.255 8.435 1.00 0.41 C ATOM 91 C VAL A 7 1.315 3.966 8.394 1.00 0.37 C ATOM 92 O VAL A 7 0.501 3.707 9.282 1.00 0.42 O ATOM 93 CB VAL A 7 1.256 6.429 7.934 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.934 7.763 8.203 1.00 0.94 C ATOM 95 CG2 VAL A 7 0.938 6.291 6.455 1.00 1.03 C ATOM 0 H VAL A 7 3.345 5.515 6.739 1.00 0.38 H new ATOM 0 HA VAL A 7 2.423 5.470 9.462 1.00 0.41 H new ATOM 0 HB VAL A 7 0.318 6.397 8.488 1.00 0.52 H new ATOM 0 HG11 VAL A 7 1.300 8.573 7.841 1.00 0.94 H new ATOM 0 HG12 VAL A 7 2.096 7.879 9.275 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.893 7.795 7.686 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.323 7.132 6.135 1.00 1.03 H new ATOM 0 HG22 VAL A 7 1.866 6.281 5.883 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.397 5.360 6.285 1.00 1.03 H new ATOM 105 N LYS A 8 1.549 3.162 7.362 1.00 0.34 N ATOM 106 CA LYS A 8 0.890 1.872 7.225 1.00 0.35 C ATOM 107 C LYS A 8 1.545 1.038 6.137 1.00 0.31 C ATOM 108 O LYS A 8 1.752 1.497 5.010 1.00 0.35 O ATOM 109 CB LYS A 8 -0.603 2.030 6.930 1.00 0.44 C ATOM 110 CG LYS A 8 -1.319 0.709 6.694 1.00 0.50 C ATOM 111 CD LYS A 8 -1.239 -0.202 7.909 1.00 0.57 C ATOM 112 CE LYS A 8 -1.899 -1.541 7.639 1.00 1.01 C ATOM 113 NZ LYS A 8 -1.698 -2.496 8.759 1.00 1.41 N ATOM 0 H LYS A 8 2.195 3.385 6.605 1.00 0.34 H new ATOM 0 HA LYS A 8 0.997 1.356 8.179 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.077 2.547 7.764 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.726 2.663 6.051 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.364 0.900 6.452 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.879 0.206 5.833 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -0.195 -0.357 8.182 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -1.722 0.279 8.759 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -2.967 -1.393 7.476 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -1.493 -1.967 6.722 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -2.165 -3.398 8.534 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -0.680 -2.658 8.899 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -2.108 -2.102 9.629 1.00 1.41 H new ATOM 127 N THR A 9 1.869 -0.182 6.498 1.00 0.33 N ATOM 128 CA THR A 9 2.434 -1.139 5.576 1.00 0.32 C ATOM 129 C THR A 9 1.358 -2.129 5.145 1.00 0.35 C ATOM 130 O THR A 9 0.549 -2.574 5.958 1.00 0.39 O ATOM 131 CB THR A 9 3.607 -1.875 6.237 1.00 0.33 C ATOM 132 OG1 THR A 9 4.668 -0.954 6.506 1.00 0.40 O ATOM 133 CG2 THR A 9 4.113 -3.035 5.386 1.00 0.33 C ATOM 0 H THR A 9 1.747 -0.540 7.445 1.00 0.33 H new ATOM 0 HA THR A 9 2.807 -0.617 4.695 1.00 0.32 H new ATOM 0 HB THR A 9 3.246 -2.299 7.174 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.045 -0.633 5.660 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.943 -3.525 5.895 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.307 -3.753 5.233 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.451 -2.658 4.421 1.00 0.33 H new ATOM 141 N TYR A 10 1.339 -2.458 3.868 1.00 0.37 N ATOM 142 CA TYR A 10 0.335 -3.347 3.336 1.00 0.42 C ATOM 143 C TYR A 10 0.904 -4.686 2.994 1.00 0.38 C ATOM 144 O TYR A 10 1.852 -4.815 2.219 1.00 0.35 O ATOM 145 CB TYR A 10 -0.369 -2.717 2.147 1.00 0.47 C ATOM 146 CG TYR A 10 -1.316 -1.661 2.616 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.375 -1.951 3.460 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.164 -0.369 2.157 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.256 -0.962 3.841 1.00 0.84 C ATOM 150 CE2 TYR A 10 -2.036 0.617 2.520 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.045 0.253 3.598 1.00 0.91 C ATOM 152 OH TYR A 10 -3.973 1.299 3.718 1.00 1.06 O ATOM 0 H TYR A 10 2.012 -2.119 3.180 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.409 -3.511 4.116 1.00 0.42 H new ATOM 0 HB2 TYR A 10 0.365 -2.284 1.467 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -0.910 -3.480 1.588 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.511 -2.959 3.822 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -0.341 -0.133 1.499 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.158 -1.240 4.366 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -2.011 1.598 2.068 1.00 0.82 H new ATOM 0 HH TYR A 10 -3.777 1.988 3.049 1.00 1.06 H new ATOM 162 N ASP A 11 0.304 -5.678 3.603 1.00 0.42 N ATOM 163 CA ASP A 11 0.739 -7.048 3.446 1.00 0.42 C ATOM 164 C ASP A 11 -0.067 -7.723 2.360 1.00 0.39 C ATOM 165 O ASP A 11 -1.271 -7.943 2.499 1.00 0.40 O ATOM 166 CB ASP A 11 0.604 -7.817 4.758 1.00 0.52 C ATOM 167 CG ASP A 11 1.734 -7.526 5.727 1.00 1.25 C ATOM 168 OD1 ASP A 11 2.825 -8.119 5.575 1.00 1.94 O ATOM 169 OD2 ASP A 11 1.538 -6.685 6.634 1.00 1.69 O ATOM 0 H ASP A 11 -0.499 -5.562 4.221 1.00 0.42 H new ATOM 0 HA ASP A 11 1.791 -7.045 3.161 1.00 0.42 H new ATOM 0 HB2 ASP A 11 -0.346 -7.562 5.227 1.00 0.52 H new ATOM 0 HB3 ASP A 11 0.579 -8.886 4.547 1.00 0.52 H new ATOM 174 N LEU A 12 0.610 -8.067 1.287 1.00 0.38 N ATOM 175 CA LEU A 12 -0.042 -8.682 0.148 1.00 0.41 C ATOM 176 C LEU A 12 -0.080 -10.185 0.350 1.00 0.54 C ATOM 177 O LEU A 12 0.784 -10.742 1.024 1.00 1.50 O ATOM 178 CB LEU A 12 0.671 -8.347 -1.169 1.00 0.40 C ATOM 179 CG LEU A 12 0.893 -6.853 -1.456 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.139 -6.628 -2.938 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.287 -6.013 -0.987 1.00 1.04 C ATOM 0 H LEU A 12 1.615 -7.932 1.177 1.00 0.38 H new ATOM 0 HA LEU A 12 -1.055 -8.285 0.079 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.641 -8.845 -1.170 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.093 -8.772 -1.990 1.00 0.40 H new ATOM 0 HG LEU A 12 1.774 -6.537 -0.897 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.294 -5.565 -3.124 1.00 1.04 H new ATOM 0 HD12 LEU A 12 2.024 -7.184 -3.248 1.00 1.04 H new ATOM 0 HD13 LEU A 12 0.276 -6.973 -3.507 1.00 1.04 H new ATOM 0 HD21 LEU A 12 -0.096 -4.962 -1.206 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -1.191 -6.333 -1.506 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.421 -6.141 0.087 1.00 1.04 H new ATOM 193 N GLN A 13 -1.066 -10.844 -0.238 1.00 0.65 N ATOM 194 CA GLN A 13 -1.224 -12.289 -0.074 1.00 0.62 C ATOM 195 C GLN A 13 -0.098 -13.043 -0.790 1.00 0.62 C ATOM 196 O GLN A 13 0.036 -14.263 -0.671 1.00 0.74 O ATOM 197 CB GLN A 13 -2.591 -12.721 -0.606 1.00 0.69 C ATOM 198 CG GLN A 13 -2.947 -14.161 -0.282 1.00 0.89 C ATOM 199 CD GLN A 13 -4.376 -14.504 -0.644 1.00 1.08 C ATOM 200 OE1 GLN A 13 -5.000 -15.350 -0.004 1.00 1.68 O ATOM 201 NE2 GLN A 13 -4.904 -13.858 -1.673 1.00 1.61 N ATOM 0 H GLN A 13 -1.770 -10.407 -0.833 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.165 -12.533 0.987 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -3.356 -12.065 -0.191 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.609 -12.587 -1.688 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -2.271 -14.828 -0.817 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -2.793 -14.338 0.782 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -4.352 -13.164 -2.177 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -5.862 -14.055 -1.961 1.00 1.61 H new ATOM 210 N ASP A 14 0.717 -12.296 -1.519 1.00 0.55 N ATOM 211 CA ASP A 14 1.835 -12.855 -2.263 1.00 0.64 C ATOM 212 C ASP A 14 3.100 -12.748 -1.425 1.00 0.54 C ATOM 213 O ASP A 14 4.152 -13.277 -1.783 1.00 0.70 O ATOM 214 CB ASP A 14 2.024 -12.100 -3.584 1.00 0.80 C ATOM 215 CG ASP A 14 0.742 -11.991 -4.391 1.00 1.46 C ATOM 216 OD1 ASP A 14 -0.085 -11.101 -4.088 1.00 2.11 O ATOM 217 OD2 ASP A 14 0.557 -12.783 -5.339 1.00 1.98 O ATOM 0 H ASP A 14 0.622 -11.285 -1.611 1.00 0.55 H new ATOM 0 HA ASP A 14 1.629 -13.902 -2.485 1.00 0.64 H new ATOM 0 HB2 ASP A 14 2.401 -11.099 -3.374 1.00 0.80 H new ATOM 0 HB3 ASP A 14 2.781 -12.607 -4.181 1.00 0.80 H new ATOM 222 N GLY A 15 2.979 -12.046 -0.306 1.00 0.55 N ATOM 223 CA GLY A 15 4.104 -11.823 0.575 1.00 0.73 C ATOM 224 C GLY A 15 4.689 -10.442 0.402 1.00 0.75 C ATOM 225 O GLY A 15 5.412 -9.951 1.269 1.00 1.28 O ATOM 0 H GLY A 15 2.106 -11.622 0.009 1.00 0.55 H new ATOM 0 HA2 GLY A 15 3.787 -11.956 1.609 1.00 0.73 H new ATOM 0 HA3 GLY A 15 4.873 -12.570 0.378 1.00 0.73 H new ATOM 229 N SER A 16 4.383 -9.826 -0.731 1.00 0.37 N ATOM 230 CA SER A 16 4.881 -8.502 -1.051 1.00 0.35 C ATOM 231 C SER A 16 4.382 -7.482 -0.030 1.00 0.29 C ATOM 232 O SER A 16 3.275 -7.603 0.495 1.00 0.33 O ATOM 233 CB SER A 16 4.428 -8.112 -2.455 1.00 0.44 C ATOM 234 OG SER A 16 4.624 -9.186 -3.364 1.00 1.07 O ATOM 0 H SER A 16 3.784 -10.231 -1.450 1.00 0.37 H new ATOM 0 HA SER A 16 5.970 -8.514 -1.016 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.375 -7.832 -2.438 1.00 0.44 H new ATOM 0 HB3 SER A 16 4.985 -7.238 -2.792 1.00 0.44 H new ATOM 0 HG SER A 16 4.326 -8.917 -4.258 1.00 1.07 H new ATOM 240 N LYS A 17 5.207 -6.495 0.257 1.00 0.26 N ATOM 241 CA LYS A 17 4.875 -5.499 1.255 1.00 0.28 C ATOM 242 C LYS A 17 4.862 -4.110 0.640 1.00 0.30 C ATOM 243 O LYS A 17 5.834 -3.674 0.044 1.00 0.43 O ATOM 244 CB LYS A 17 5.899 -5.563 2.393 1.00 0.31 C ATOM 245 CG LYS A 17 6.006 -6.942 3.018 1.00 0.71 C ATOM 246 CD LYS A 17 7.085 -7.003 4.085 1.00 0.66 C ATOM 247 CE LYS A 17 7.167 -8.396 4.690 1.00 0.84 C ATOM 248 NZ LYS A 17 8.249 -8.513 5.701 1.00 1.84 N ATOM 0 H LYS A 17 6.115 -6.361 -0.188 1.00 0.26 H new ATOM 0 HA LYS A 17 3.880 -5.706 1.648 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.876 -5.266 2.012 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.624 -4.842 3.163 1.00 0.31 H new ATOM 0 HG2 LYS A 17 5.047 -7.216 3.457 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.223 -7.676 2.242 1.00 0.71 H new ATOM 0 HD2 LYS A 17 8.048 -6.733 3.651 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.872 -6.274 4.867 1.00 0.66 H new ATOM 0 HE2 LYS A 17 6.212 -8.644 5.154 1.00 0.84 H new ATOM 0 HE3 LYS A 17 7.335 -9.124 3.897 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 8.264 -9.480 6.083 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 9.165 -8.303 5.255 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 8.077 -7.838 6.473 1.00 1.84 H new ATOM 262 N VAL A 18 3.754 -3.418 0.801 1.00 0.28 N ATOM 263 CA VAL A 18 3.631 -2.047 0.338 1.00 0.30 C ATOM 264 C VAL A 18 3.685 -1.127 1.541 1.00 0.31 C ATOM 265 O VAL A 18 3.404 -1.549 2.650 1.00 0.41 O ATOM 266 CB VAL A 18 2.306 -1.839 -0.439 1.00 0.35 C ATOM 267 CG1 VAL A 18 2.085 -0.377 -0.816 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.281 -2.713 -1.682 1.00 0.36 C ATOM 0 H VAL A 18 2.917 -3.785 1.253 1.00 0.28 H new ATOM 0 HA VAL A 18 4.451 -1.821 -0.344 1.00 0.30 H new ATOM 0 HB VAL A 18 1.491 -2.131 0.223 1.00 0.35 H new ATOM 0 HG11 VAL A 18 1.145 -0.279 -1.359 1.00 0.39 H new ATOM 0 HG12 VAL A 18 2.047 0.230 0.088 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.905 -0.036 -1.447 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.345 -2.557 -2.218 1.00 0.36 H new ATOM 0 HG22 VAL A 18 3.118 -2.450 -2.329 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.362 -3.761 -1.392 1.00 0.36 H new ATOM 278 N HIS A 19 4.094 0.107 1.352 1.00 0.29 N ATOM 279 CA HIS A 19 4.065 1.066 2.438 1.00 0.29 C ATOM 280 C HIS A 19 3.537 2.380 1.940 1.00 0.30 C ATOM 281 O HIS A 19 3.936 2.851 0.879 1.00 0.34 O ATOM 282 CB HIS A 19 5.453 1.323 3.028 1.00 0.32 C ATOM 283 CG HIS A 19 6.262 0.105 3.300 1.00 0.32 C ATOM 284 ND1 HIS A 19 6.117 -0.700 4.403 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.246 -0.429 2.583 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.988 -1.686 4.341 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.686 -1.545 3.241 1.00 0.41 N ATOM 0 H HIS A 19 4.448 0.470 0.467 1.00 0.29 H new ATOM 0 HA HIS A 19 3.425 0.642 3.212 1.00 0.29 H new ATOM 0 HB2 HIS A 19 6.009 1.963 2.342 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.337 1.878 3.959 1.00 0.32 H new ATOM 0 HD2 HIS A 19 7.630 -0.049 1.648 1.00 0.37 H new ATOM 0 HE1 HIS A 19 7.106 -2.474 5.070 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.433 -2.164 2.927 1.00 0.41 H new ATOM 296 N VAL A 20 2.643 2.961 2.701 1.00 0.31 N ATOM 297 CA VAL A 20 2.286 4.337 2.496 1.00 0.33 C ATOM 298 C VAL A 20 3.099 5.138 3.486 1.00 0.32 C ATOM 299 O VAL A 20 2.944 4.993 4.698 1.00 0.33 O ATOM 300 CB VAL A 20 0.780 4.597 2.680 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.451 6.051 2.376 1.00 0.56 C ATOM 302 CG2 VAL A 20 -0.028 3.662 1.789 1.00 0.81 C ATOM 0 H VAL A 20 2.151 2.500 3.467 1.00 0.31 H new ATOM 0 HA VAL A 20 2.501 4.627 1.468 1.00 0.33 H new ATOM 0 HB VAL A 20 0.514 4.398 3.718 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.618 6.218 2.511 1.00 0.56 H new ATOM 0 HG12 VAL A 20 1.008 6.699 3.053 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.727 6.279 1.346 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -1.092 3.856 1.928 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.238 3.833 0.746 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.190 2.628 2.054 1.00 0.81 H new ATOM 312 N PHE A 21 4.023 5.910 2.970 1.00 0.34 N ATOM 313 CA PHE A 21 4.992 6.575 3.802 1.00 0.37 C ATOM 314 C PHE A 21 4.432 7.878 4.342 1.00 0.39 C ATOM 315 O PHE A 21 3.549 8.487 3.744 1.00 0.40 O ATOM 316 CB PHE A 21 6.279 6.810 3.017 1.00 0.40 C ATOM 317 CG PHE A 21 7.073 5.550 2.756 1.00 0.41 C ATOM 318 CD1 PHE A 21 8.043 5.099 3.651 1.00 0.58 C ATOM 319 CD2 PHE A 21 6.840 4.810 1.609 1.00 0.37 C ATOM 320 CE1 PHE A 21 8.755 3.944 3.392 1.00 0.64 C ATOM 321 CE2 PHE A 21 7.554 3.653 1.354 1.00 0.39 C ATOM 322 CZ PHE A 21 8.556 3.238 2.303 1.00 0.51 C ATOM 0 H PHE A 21 4.124 6.093 1.972 1.00 0.34 H new ATOM 0 HA PHE A 21 5.222 5.937 4.655 1.00 0.37 H new ATOM 0 HB2 PHE A 21 6.032 7.277 2.063 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.904 7.515 3.565 1.00 0.40 H new ATOM 0 HD1 PHE A 21 8.239 5.658 4.554 1.00 0.58 H new ATOM 0 HD2 PHE A 21 6.091 5.140 0.904 1.00 0.37 H new ATOM 0 HE1 PHE A 21 9.496 3.613 4.105 1.00 0.64 H new ATOM 0 HE2 PHE A 21 7.365 3.073 0.463 1.00 0.39 H new ATOM 0 HZ PHE A 21 9.141 2.349 2.119 1.00 0.51 H new ATOM 332 N LYS A 22 4.972 8.300 5.472 1.00 0.44 N ATOM 333 CA LYS A 22 4.491 9.469 6.199 1.00 0.50 C ATOM 334 C LYS A 22 4.536 10.748 5.357 1.00 0.52 C ATOM 335 O LYS A 22 3.793 11.692 5.613 1.00 0.57 O ATOM 336 CB LYS A 22 5.336 9.641 7.459 1.00 0.61 C ATOM 337 CG LYS A 22 6.821 9.598 7.178 1.00 1.37 C ATOM 338 CD LYS A 22 7.634 9.983 8.401 1.00 1.46 C ATOM 339 CE LYS A 22 7.753 11.490 8.546 1.00 2.02 C ATOM 340 NZ LYS A 22 8.660 12.062 7.519 1.00 2.87 N ATOM 0 H LYS A 22 5.765 7.838 5.918 1.00 0.44 H new ATOM 0 HA LYS A 22 3.445 9.302 6.455 1.00 0.50 H new ATOM 0 HB2 LYS A 22 5.087 10.592 7.931 1.00 0.61 H new ATOM 0 HB3 LYS A 22 5.083 8.856 8.171 1.00 0.61 H new ATOM 0 HG2 LYS A 22 7.102 8.595 6.855 1.00 1.37 H new ATOM 0 HG3 LYS A 22 7.056 10.275 6.357 1.00 1.37 H new ATOM 0 HD2 LYS A 22 7.167 9.567 9.294 1.00 1.46 H new ATOM 0 HD3 LYS A 22 8.629 9.545 8.329 1.00 1.46 H new ATOM 0 HE2 LYS A 22 6.766 11.945 8.457 1.00 2.02 H new ATOM 0 HE3 LYS A 22 8.127 11.733 9.540 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 8.360 13.032 7.292 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 9.633 12.077 7.885 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 8.623 11.478 6.659 1.00 2.87 H new ATOM 354 N ASP A 23 5.392 10.765 4.347 1.00 0.54 N ATOM 355 CA ASP A 23 5.582 11.947 3.527 1.00 0.61 C ATOM 356 C ASP A 23 4.765 11.813 2.271 1.00 0.59 C ATOM 357 O ASP A 23 4.862 12.626 1.354 1.00 0.67 O ATOM 358 CB ASP A 23 7.057 12.140 3.179 1.00 0.68 C ATOM 359 CG ASP A 23 7.918 12.315 4.408 1.00 1.29 C ATOM 360 OD1 ASP A 23 8.362 11.301 4.982 1.00 1.97 O ATOM 361 OD2 ASP A 23 8.166 13.471 4.799 1.00 1.91 O ATOM 0 H ASP A 23 5.968 9.968 4.076 1.00 0.54 H new ATOM 0 HA ASP A 23 5.254 12.822 4.087 1.00 0.61 H new ATOM 0 HB2 ASP A 23 7.410 11.279 2.611 1.00 0.68 H new ATOM 0 HB3 ASP A 23 7.165 13.013 2.535 1.00 0.68 H new ATOM 366 N GLY A 24 3.965 10.763 2.233 1.00 0.53 N ATOM 367 CA GLY A 24 3.027 10.601 1.168 1.00 0.53 C ATOM 368 C GLY A 24 3.504 9.727 0.031 1.00 0.53 C ATOM 369 O GLY A 24 2.743 9.469 -0.900 1.00 0.58 O ATOM 0 H GLY A 24 3.955 10.019 2.931 1.00 0.53 H new ATOM 0 HA2 GLY A 24 2.108 10.177 1.573 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.776 11.585 0.771 1.00 0.53 H new ATOM 373 N LYS A 25 4.757 9.279 0.063 1.00 0.50 N ATOM 374 CA LYS A 25 5.242 8.366 -0.958 1.00 0.51 C ATOM 375 C LYS A 25 4.826 6.940 -0.634 1.00 0.42 C ATOM 376 O LYS A 25 4.325 6.662 0.450 1.00 0.41 O ATOM 377 CB LYS A 25 6.767 8.422 -1.080 1.00 0.62 C ATOM 378 CG LYS A 25 7.332 9.800 -1.389 1.00 0.94 C ATOM 379 CD LYS A 25 7.577 10.617 -0.128 1.00 1.49 C ATOM 380 CE LYS A 25 8.514 9.900 0.837 1.00 1.50 C ATOM 381 NZ LYS A 25 9.870 9.687 0.267 1.00 1.74 N ATOM 0 H LYS A 25 5.443 9.531 0.775 1.00 0.50 H new ATOM 0 HA LYS A 25 4.801 8.675 -1.906 1.00 0.51 H new ATOM 0 HB2 LYS A 25 7.205 8.066 -0.148 1.00 0.62 H new ATOM 0 HB3 LYS A 25 7.080 7.732 -1.864 1.00 0.62 H new ATOM 0 HG2 LYS A 25 8.268 9.692 -1.938 1.00 0.94 H new ATOM 0 HG3 LYS A 25 6.641 10.337 -2.039 1.00 0.94 H new ATOM 0 HD2 LYS A 25 8.003 11.583 -0.398 1.00 1.49 H new ATOM 0 HD3 LYS A 25 6.627 10.815 0.368 1.00 1.49 H new ATOM 0 HE2 LYS A 25 8.597 10.481 1.755 1.00 1.50 H new ATOM 0 HE3 LYS A 25 8.082 8.936 1.108 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 10.481 9.242 0.981 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 9.803 9.068 -0.566 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 10.276 10.602 -0.014 1.00 1.74 H new ATOM 395 N MET A 26 5.061 6.043 -1.571 1.00 0.42 N ATOM 396 CA MET A 26 4.735 4.644 -1.400 1.00 0.41 C ATOM 397 C MET A 26 5.868 3.782 -1.918 1.00 0.42 C ATOM 398 O MET A 26 6.522 4.120 -2.905 1.00 0.49 O ATOM 399 CB MET A 26 3.430 4.272 -2.119 1.00 0.47 C ATOM 400 CG MET A 26 2.178 4.828 -1.461 1.00 0.73 C ATOM 401 SD MET A 26 1.877 6.570 -1.832 1.00 1.07 S ATOM 402 CE MET A 26 1.591 6.501 -3.596 1.00 0.76 C ATOM 0 H MET A 26 5.484 6.265 -2.472 1.00 0.42 H new ATOM 0 HA MET A 26 4.593 4.465 -0.334 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.478 4.633 -3.146 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.351 3.186 -2.166 1.00 0.47 H new ATOM 0 HG2 MET A 26 1.317 4.243 -1.785 1.00 0.73 H new ATOM 0 HG3 MET A 26 2.260 4.704 -0.381 1.00 0.73 H new ATOM 0 HE1 MET A 26 2.363 7.071 -4.112 1.00 0.76 H new ATOM 0 HE2 MET A 26 1.622 5.464 -3.929 1.00 0.76 H new ATOM 0 HE3 MET A 26 0.613 6.926 -3.823 1.00 0.76 H new ATOM 412 N GLY A 27 6.110 2.679 -1.238 1.00 0.39 N ATOM 413 CA GLY A 27 7.168 1.782 -1.634 1.00 0.39 C ATOM 414 C GLY A 27 6.711 0.348 -1.606 1.00 0.32 C ATOM 415 O GLY A 27 5.934 -0.040 -0.732 1.00 0.33 O ATOM 0 H GLY A 27 5.588 2.386 -0.412 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.507 2.038 -2.638 1.00 0.39 H new ATOM 0 HA3 GLY A 27 8.021 1.907 -0.967 1.00 0.39 H new ATOM 419 N MET A 28 7.182 -0.440 -2.555 1.00 0.28 N ATOM 420 CA MET A 28 6.763 -1.822 -2.666 1.00 0.27 C ATOM 421 C MET A 28 7.948 -2.761 -2.497 1.00 0.26 C ATOM 422 O MET A 28 9.022 -2.534 -3.049 1.00 0.31 O ATOM 423 CB MET A 28 6.077 -2.056 -4.013 1.00 0.34 C ATOM 424 CG MET A 28 5.463 -3.439 -4.157 1.00 0.45 C ATOM 425 SD MET A 28 4.528 -3.623 -5.687 1.00 0.87 S ATOM 426 CE MET A 28 3.973 -5.319 -5.540 1.00 0.72 C ATOM 0 H MET A 28 7.856 -0.144 -3.261 1.00 0.28 H new ATOM 0 HA MET A 28 6.050 -2.034 -1.869 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.297 -1.307 -4.148 1.00 0.34 H new ATOM 0 HB3 MET A 28 6.804 -1.907 -4.811 1.00 0.34 H new ATOM 0 HG2 MET A 28 6.253 -4.189 -4.126 1.00 0.45 H new ATOM 0 HG3 MET A 28 4.807 -3.632 -3.308 1.00 0.45 H new ATOM 0 HE1 MET A 28 3.378 -5.584 -6.414 1.00 0.72 H new ATOM 0 HE2 MET A 28 4.837 -5.980 -5.474 1.00 0.72 H new ATOM 0 HE3 MET A 28 3.365 -5.426 -4.642 1.00 0.72 H new ATOM 436 N GLU A 29 7.734 -3.806 -1.721 1.00 0.24 N ATOM 437 CA GLU A 29 8.737 -4.825 -1.481 1.00 0.26 C ATOM 438 C GLU A 29 8.156 -6.183 -1.817 1.00 0.27 C ATOM 439 O GLU A 29 6.943 -6.366 -1.778 1.00 0.29 O ATOM 440 CB GLU A 29 9.206 -4.812 -0.020 1.00 0.34 C ATOM 441 CG GLU A 29 10.064 -3.611 0.326 1.00 0.47 C ATOM 442 CD GLU A 29 10.432 -3.540 1.793 1.00 0.56 C ATOM 443 OE1 GLU A 29 9.577 -3.134 2.609 1.00 0.68 O ATOM 444 OE2 GLU A 29 11.586 -3.859 2.135 1.00 1.14 O ATOM 0 H GLU A 29 6.852 -3.973 -1.236 1.00 0.24 H new ATOM 0 HA GLU A 29 9.600 -4.617 -2.114 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.334 -4.827 0.634 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.771 -5.723 0.181 1.00 0.34 H new ATOM 0 HG2 GLU A 29 10.977 -3.642 -0.269 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.532 -2.701 0.048 1.00 0.47 H new ATOM 451 N ASN A 30 9.008 -7.120 -2.169 1.00 0.32 N ATOM 452 CA ASN A 30 8.567 -8.481 -2.431 1.00 0.39 C ATOM 453 C ASN A 30 8.593 -9.285 -1.137 1.00 0.42 C ATOM 454 O ASN A 30 9.106 -8.808 -0.124 1.00 0.42 O ATOM 455 CB ASN A 30 9.452 -9.136 -3.502 1.00 0.47 C ATOM 456 CG ASN A 30 10.882 -9.352 -3.043 1.00 0.79 C ATOM 457 OD1 ASN A 30 11.367 -8.689 -2.130 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.580 -10.265 -3.693 1.00 1.12 N ATOM 0 H ASN A 30 10.011 -6.969 -2.282 1.00 0.32 H new ATOM 0 HA ASN A 30 7.545 -8.460 -2.810 1.00 0.39 H new ATOM 0 HB2 ASN A 30 9.019 -10.095 -3.785 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.454 -8.511 -4.395 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.553 -10.437 -3.442 1.00 1.12 H new ATOM 0 HD22 ASN A 30 11.146 -10.798 -4.447 1.00 1.12 H new ATOM 465 N LYS A 31 7.994 -10.473 -1.159 1.00 0.48 N ATOM 466 CA LYS A 31 8.010 -11.399 -0.013 1.00 0.54 C ATOM 467 C LYS A 31 9.421 -11.712 0.522 1.00 0.58 C ATOM 468 O LYS A 31 9.567 -12.496 1.460 1.00 0.69 O ATOM 469 CB LYS A 31 7.318 -12.710 -0.390 1.00 0.62 C ATOM 470 CG LYS A 31 7.986 -13.468 -1.521 1.00 0.66 C ATOM 471 CD LYS A 31 7.231 -14.747 -1.830 1.00 0.78 C ATOM 472 CE LYS A 31 7.911 -15.556 -2.917 1.00 1.32 C ATOM 473 NZ LYS A 31 7.130 -16.765 -3.277 1.00 1.77 N ATOM 0 H LYS A 31 7.483 -10.827 -1.967 1.00 0.48 H new ATOM 0 HA LYS A 31 7.475 -10.888 0.788 1.00 0.54 H new ATOM 0 HB2 LYS A 31 7.280 -13.353 0.489 1.00 0.62 H new ATOM 0 HB3 LYS A 31 6.287 -12.495 -0.672 1.00 0.62 H new ATOM 0 HG2 LYS A 31 8.027 -12.840 -2.411 1.00 0.66 H new ATOM 0 HG3 LYS A 31 9.015 -13.704 -1.249 1.00 0.66 H new ATOM 0 HD2 LYS A 31 7.152 -15.349 -0.925 1.00 0.78 H new ATOM 0 HD3 LYS A 31 6.215 -14.503 -2.141 1.00 0.78 H new ATOM 0 HE2 LYS A 31 8.046 -14.934 -3.802 1.00 1.32 H new ATOM 0 HE3 LYS A 31 8.905 -15.852 -2.581 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 7.628 -17.291 -4.023 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 7.023 -17.371 -2.439 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 6.191 -16.482 -3.622 1.00 1.77 H new ATOM 487 N PHE A 32 10.451 -11.108 -0.054 1.00 0.58 N ATOM 488 CA PHE A 32 11.810 -11.349 0.378 1.00 0.63 C ATOM 489 C PHE A 32 12.382 -10.113 1.051 1.00 0.56 C ATOM 490 O PHE A 32 13.508 -10.137 1.550 1.00 0.62 O ATOM 491 CB PHE A 32 12.690 -11.770 -0.798 1.00 0.69 C ATOM 492 CG PHE A 32 12.329 -13.111 -1.369 1.00 0.80 C ATOM 493 CD1 PHE A 32 12.679 -14.276 -0.708 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.639 -13.208 -2.568 1.00 0.83 C ATOM 495 CE1 PHE A 32 12.348 -15.511 -1.228 1.00 1.08 C ATOM 496 CE2 PHE A 32 11.306 -14.439 -3.093 1.00 0.96 C ATOM 497 CZ PHE A 32 11.660 -15.594 -2.423 1.00 1.07 C ATOM 0 H PHE A 32 10.365 -10.445 -0.825 1.00 0.58 H new ATOM 0 HA PHE A 32 11.795 -12.164 1.101 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.616 -11.018 -1.584 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.730 -11.791 -0.473 1.00 0.69 H new ATOM 0 HD1 PHE A 32 13.218 -14.218 0.226 1.00 0.95 H new ATOM 0 HD2 PHE A 32 11.359 -12.309 -3.097 1.00 0.83 H new ATOM 0 HE1 PHE A 32 12.627 -16.412 -0.701 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.769 -14.500 -4.028 1.00 0.96 H new ATOM 0 HZ PHE A 32 11.400 -16.559 -2.832 1.00 1.07 H new ATOM 507 N GLY A 33 11.602 -9.034 1.085 1.00 0.49 N ATOM 508 CA GLY A 33 12.027 -7.850 1.794 1.00 0.49 C ATOM 509 C GLY A 33 12.946 -6.961 0.990 1.00 0.45 C ATOM 510 O GLY A 33 13.816 -6.291 1.551 1.00 0.54 O ATOM 0 H GLY A 33 10.689 -8.964 0.635 1.00 0.49 H new ATOM 0 HA2 GLY A 33 11.147 -7.278 2.088 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.535 -8.148 2.711 1.00 0.49 H new ATOM 514 N LYS A 34 12.789 -6.967 -0.324 1.00 0.42 N ATOM 515 CA LYS A 34 13.558 -6.055 -1.155 1.00 0.52 C ATOM 516 C LYS A 34 12.636 -5.144 -1.947 1.00 0.38 C ATOM 517 O LYS A 34 11.535 -5.537 -2.342 1.00 0.72 O ATOM 518 CB LYS A 34 14.547 -6.808 -2.071 1.00 0.85 C ATOM 519 CG LYS A 34 13.939 -7.494 -3.289 1.00 1.17 C ATOM 520 CD LYS A 34 13.830 -6.549 -4.479 1.00 1.92 C ATOM 521 CE LYS A 34 13.303 -7.255 -5.718 1.00 2.73 C ATOM 522 NZ LYS A 34 14.266 -8.261 -6.241 1.00 3.25 N ATOM 0 H LYS A 34 12.150 -7.580 -0.830 1.00 0.42 H new ATOM 0 HA LYS A 34 14.160 -5.429 -0.496 1.00 0.52 H new ATOM 0 HB2 LYS A 34 15.302 -6.102 -2.416 1.00 0.85 H new ATOM 0 HB3 LYS A 34 15.063 -7.560 -1.475 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.550 -8.354 -3.563 1.00 1.17 H new ATOM 0 HG3 LYS A 34 12.949 -7.874 -3.035 1.00 1.17 H new ATOM 0 HD2 LYS A 34 13.169 -5.720 -4.225 1.00 1.92 H new ATOM 0 HD3 LYS A 34 14.809 -6.122 -4.694 1.00 1.92 H new ATOM 0 HE2 LYS A 34 12.359 -7.746 -5.481 1.00 2.73 H new ATOM 0 HE3 LYS A 34 13.093 -6.518 -6.493 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 13.947 -8.595 -7.173 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 15.207 -7.827 -6.332 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 14.319 -9.066 -5.584 1.00 3.25 H new ATOM 536 N SER A 35 13.109 -3.935 -2.175 1.00 0.46 N ATOM 537 CA SER A 35 12.319 -2.906 -2.823 1.00 0.48 C ATOM 538 C SER A 35 12.191 -3.165 -4.322 1.00 0.58 C ATOM 539 O SER A 35 13.187 -3.374 -5.016 1.00 0.74 O ATOM 540 CB SER A 35 12.929 -1.534 -2.549 1.00 0.69 C ATOM 541 OG SER A 35 14.343 -1.559 -2.691 1.00 1.55 O ATOM 0 H SER A 35 14.050 -3.638 -1.917 1.00 0.46 H new ATOM 0 HA SER A 35 11.312 -2.929 -2.407 1.00 0.48 H new ATOM 0 HB2 SER A 35 12.505 -0.802 -3.236 1.00 0.69 H new ATOM 0 HB3 SER A 35 12.668 -1.213 -1.541 1.00 0.69 H new ATOM 0 HG SER A 35 14.706 -0.666 -2.511 1.00 1.55 H new ATOM 547 N MET A 36 10.966 -3.157 -4.809 1.00 0.58 N ATOM 548 CA MET A 36 10.697 -3.435 -6.209 1.00 0.76 C ATOM 549 C MET A 36 9.865 -2.322 -6.827 1.00 0.87 C ATOM 550 O MET A 36 9.532 -1.340 -6.161 1.00 0.94 O ATOM 551 CB MET A 36 9.973 -4.778 -6.355 1.00 0.81 C ATOM 552 CG MET A 36 8.711 -4.885 -5.517 1.00 1.07 C ATOM 553 SD MET A 36 7.791 -6.403 -5.833 1.00 1.38 S ATOM 554 CE MET A 36 7.293 -6.144 -7.536 1.00 1.15 C ATOM 0 H MET A 36 10.134 -2.960 -4.252 1.00 0.58 H new ATOM 0 HA MET A 36 11.649 -3.489 -6.737 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.716 -4.930 -7.403 1.00 0.81 H new ATOM 0 HB3 MET A 36 10.655 -5.581 -6.074 1.00 0.81 H new ATOM 0 HG2 MET A 36 8.976 -4.839 -4.461 1.00 1.07 H new ATOM 0 HG3 MET A 36 8.070 -4.027 -5.722 1.00 1.07 H new ATOM 0 HE1 MET A 36 6.230 -6.361 -7.641 1.00 1.15 H new ATOM 0 HE2 MET A 36 7.482 -5.108 -7.817 1.00 1.15 H new ATOM 0 HE3 MET A 36 7.864 -6.806 -8.187 1.00 1.15 H new ATOM 564 N ASN A 37 9.553 -2.472 -8.104 1.00 1.03 N ATOM 565 CA ASN A 37 8.733 -1.498 -8.814 1.00 1.17 C ATOM 566 C ASN A 37 7.275 -1.642 -8.402 1.00 0.99 C ATOM 567 O ASN A 37 6.849 -2.716 -7.977 1.00 1.03 O ATOM 568 CB ASN A 37 8.874 -1.678 -10.332 1.00 1.55 C ATOM 569 CG ASN A 37 8.220 -2.951 -10.847 1.00 2.18 C ATOM 570 OD1 ASN A 37 7.051 -2.947 -11.237 1.00 2.78 O ATOM 571 ND2 ASN A 37 8.966 -4.046 -10.856 1.00 2.51 N ATOM 0 H ASN A 37 9.856 -3.262 -8.674 1.00 1.03 H new ATOM 0 HA ASN A 37 9.078 -0.498 -8.551 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.430 -0.819 -10.836 1.00 1.55 H new ATOM 0 HB3 ASN A 37 9.932 -1.689 -10.593 1.00 1.55 H new ATOM 0 HD21 ASN A 37 8.576 -4.926 -11.194 1.00 2.51 H new ATOM 0 HD22 ASN A 37 9.930 -4.009 -10.525 1.00 2.51 H new ATOM 578 N MET A 38 6.515 -0.567 -8.522 1.00 1.01 N ATOM 579 CA MET A 38 5.111 -0.588 -8.138 1.00 0.99 C ATOM 580 C MET A 38 4.234 -0.259 -9.337 1.00 0.86 C ATOM 581 O MET A 38 4.458 0.740 -10.022 1.00 0.81 O ATOM 582 CB MET A 38 4.859 0.398 -6.993 1.00 1.23 C ATOM 583 CG MET A 38 3.439 0.360 -6.449 1.00 0.95 C ATOM 584 SD MET A 38 3.223 1.417 -5.003 1.00 1.15 S ATOM 585 CE MET A 38 1.493 1.132 -4.638 1.00 1.32 C ATOM 0 H MET A 38 6.844 0.329 -8.881 1.00 1.01 H new ATOM 0 HA MET A 38 4.855 -1.589 -7.790 1.00 0.99 H new ATOM 0 HB2 MET A 38 5.554 0.183 -6.182 1.00 1.23 H new ATOM 0 HB3 MET A 38 5.078 1.408 -7.341 1.00 1.23 H new ATOM 0 HG2 MET A 38 2.746 0.673 -7.230 1.00 0.95 H new ATOM 0 HG3 MET A 38 3.182 -0.666 -6.186 1.00 0.95 H new ATOM 0 HE1 MET A 38 1.135 1.899 -3.951 1.00 1.32 H new ATOM 0 HE2 MET A 38 0.915 1.173 -5.561 1.00 1.32 H new ATOM 0 HE3 MET A 38 1.375 0.150 -4.180 1.00 1.32 H new ATOM 595 N PRO A 39 3.244 -1.113 -9.632 1.00 0.92 N ATOM 596 CA PRO A 39 2.359 -0.922 -10.780 1.00 0.91 C ATOM 597 C PRO A 39 1.319 0.174 -10.552 1.00 0.76 C ATOM 598 O PRO A 39 0.869 0.403 -9.427 1.00 0.83 O ATOM 599 CB PRO A 39 1.683 -2.284 -10.931 1.00 1.16 C ATOM 600 CG PRO A 39 1.681 -2.863 -9.559 1.00 1.24 C ATOM 601 CD PRO A 39 2.913 -2.336 -8.874 1.00 1.13 C ATOM 0 HA PRO A 39 2.907 -0.599 -11.665 1.00 0.91 H new ATOM 0 HB2 PRO A 39 0.669 -2.182 -11.318 1.00 1.16 H new ATOM 0 HB3 PRO A 39 2.228 -2.921 -11.628 1.00 1.16 H new ATOM 0 HG2 PRO A 39 0.781 -2.573 -9.017 1.00 1.24 H new ATOM 0 HG3 PRO A 39 1.694 -3.952 -9.597 1.00 1.24 H new ATOM 0 HD2 PRO A 39 2.723 -2.116 -7.823 1.00 1.13 H new ATOM 0 HD3 PRO A 39 3.728 -3.059 -8.906 1.00 1.13 H new ATOM 609 N GLU A 40 0.945 0.844 -11.630 1.00 0.77 N ATOM 610 CA GLU A 40 -0.069 1.883 -11.580 1.00 0.69 C ATOM 611 C GLU A 40 -1.336 1.391 -12.268 1.00 0.73 C ATOM 612 O GLU A 40 -1.265 0.709 -13.291 1.00 1.09 O ATOM 613 CB GLU A 40 0.434 3.157 -12.266 1.00 0.76 C ATOM 614 CG GLU A 40 -0.582 4.285 -12.263 1.00 0.72 C ATOM 615 CD GLU A 40 -0.144 5.473 -13.087 1.00 0.94 C ATOM 616 OE1 GLU A 40 -0.286 5.422 -14.327 1.00 1.15 O ATOM 617 OE2 GLU A 40 0.335 6.465 -12.504 1.00 1.09 O ATOM 0 H GLU A 40 1.334 0.684 -12.559 1.00 0.77 H new ATOM 0 HA GLU A 40 -0.286 2.114 -10.537 1.00 0.69 H new ATOM 0 HB2 GLU A 40 1.342 3.495 -11.767 1.00 0.76 H new ATOM 0 HB3 GLU A 40 0.704 2.924 -13.296 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -1.532 3.913 -12.647 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -0.758 4.606 -11.236 1.00 0.72 H new ATOM 624 N GLY A 41 -2.492 1.705 -11.698 1.00 0.64 N ATOM 625 CA GLY A 41 -3.746 1.309 -12.310 1.00 0.66 C ATOM 626 C GLY A 41 -4.216 -0.054 -11.847 1.00 0.62 C ATOM 627 O GLY A 41 -5.417 -0.309 -11.758 1.00 0.68 O ATOM 0 H GLY A 41 -2.584 2.225 -10.825 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -4.510 2.051 -12.077 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -3.630 1.300 -13.394 1.00 0.66 H new ATOM 631 N LYS A 42 -3.268 -0.927 -11.543 1.00 0.59 N ATOM 632 CA LYS A 42 -3.582 -2.273 -11.089 1.00 0.59 C ATOM 633 C LYS A 42 -3.900 -2.282 -9.607 1.00 0.52 C ATOM 634 O LYS A 42 -3.274 -1.566 -8.825 1.00 0.54 O ATOM 635 CB LYS A 42 -2.414 -3.217 -11.346 1.00 0.67 C ATOM 636 CG LYS A 42 -2.059 -3.378 -12.818 1.00 0.85 C ATOM 637 CD LYS A 42 -0.962 -4.415 -13.021 1.00 1.45 C ATOM 638 CE LYS A 42 -1.391 -5.787 -12.522 1.00 1.85 C ATOM 639 NZ LYS A 42 -0.347 -6.820 -12.750 1.00 2.30 N ATOM 0 H LYS A 42 -2.270 -0.726 -11.603 1.00 0.59 H new ATOM 0 HA LYS A 42 -4.454 -2.611 -11.650 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -1.539 -2.850 -10.810 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -2.654 -4.196 -10.932 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -2.947 -3.673 -13.377 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -1.733 -2.419 -13.221 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -0.708 -4.475 -14.079 1.00 1.45 H new ATOM 0 HD3 LYS A 42 -0.061 -4.101 -12.494 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -1.617 -5.730 -11.457 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -2.310 -6.084 -13.027 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -0.683 -7.738 -12.394 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -0.149 -6.895 -13.768 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 0.523 -6.551 -12.247 1.00 2.30 H new ATOM 653 N VAL A 43 -4.867 -3.099 -9.226 1.00 0.48 N ATOM 654 CA VAL A 43 -5.233 -3.233 -7.832 1.00 0.45 C ATOM 655 C VAL A 43 -4.556 -4.457 -7.217 1.00 0.39 C ATOM 656 O VAL A 43 -4.581 -5.554 -7.783 1.00 0.46 O ATOM 657 CB VAL A 43 -6.771 -3.295 -7.640 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.384 -4.480 -8.371 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.134 -3.331 -6.165 1.00 0.93 C ATOM 0 H VAL A 43 -5.411 -3.679 -9.865 1.00 0.48 H new ATOM 0 HA VAL A 43 -4.881 -2.342 -7.312 1.00 0.45 H new ATOM 0 HB VAL A 43 -7.187 -2.387 -8.076 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.462 -4.488 -8.211 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.176 -4.397 -9.438 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -6.954 -5.406 -7.988 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.218 -3.374 -6.058 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -6.688 -4.211 -5.702 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -6.757 -2.433 -5.675 1.00 0.93 H new ATOM 669 N MET A 44 -3.924 -4.251 -6.076 1.00 0.35 N ATOM 670 CA MET A 44 -3.231 -5.315 -5.370 1.00 0.36 C ATOM 671 C MET A 44 -4.070 -5.780 -4.195 1.00 0.34 C ATOM 672 O MET A 44 -4.703 -4.969 -3.515 1.00 0.39 O ATOM 673 CB MET A 44 -1.857 -4.845 -4.878 1.00 0.46 C ATOM 674 CG MET A 44 -0.787 -4.793 -5.964 1.00 0.76 C ATOM 675 SD MET A 44 -1.110 -3.557 -7.240 1.00 1.31 S ATOM 676 CE MET A 44 -0.998 -2.043 -6.289 1.00 1.20 C ATOM 0 H MET A 44 -3.876 -3.344 -5.613 1.00 0.35 H new ATOM 0 HA MET A 44 -3.079 -6.145 -6.061 1.00 0.36 H new ATOM 0 HB2 MET A 44 -1.961 -3.853 -4.439 1.00 0.46 H new ATOM 0 HB3 MET A 44 -1.521 -5.512 -4.084 1.00 0.46 H new ATOM 0 HG2 MET A 44 0.178 -4.582 -5.502 1.00 0.76 H new ATOM 0 HG3 MET A 44 -0.709 -5.774 -6.432 1.00 0.76 H new ATOM 0 HE1 MET A 44 -0.855 -1.199 -6.964 1.00 1.20 H new ATOM 0 HE2 MET A 44 -1.917 -1.901 -5.721 1.00 1.20 H new ATOM 0 HE3 MET A 44 -0.154 -2.106 -5.603 1.00 1.20 H new ATOM 686 N GLU A 45 -4.082 -7.081 -3.966 1.00 0.31 N ATOM 687 CA GLU A 45 -4.877 -7.658 -2.913 1.00 0.34 C ATOM 688 C GLU A 45 -3.991 -8.030 -1.721 1.00 0.30 C ATOM 689 O GLU A 45 -2.829 -8.415 -1.883 1.00 0.35 O ATOM 690 CB GLU A 45 -5.621 -8.873 -3.466 1.00 0.47 C ATOM 691 CG GLU A 45 -6.554 -9.522 -2.472 1.00 0.99 C ATOM 692 CD GLU A 45 -7.330 -10.674 -3.078 1.00 1.17 C ATOM 693 OE1 GLU A 45 -8.429 -10.432 -3.613 1.00 1.64 O ATOM 694 OE2 GLU A 45 -6.850 -11.825 -3.014 1.00 1.43 O ATOM 0 H GLU A 45 -3.542 -7.758 -4.505 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.609 -6.934 -2.555 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -6.194 -8.569 -4.342 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -4.893 -9.611 -3.802 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -5.979 -9.883 -1.619 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.252 -8.776 -2.092 1.00 0.99 H new ATOM 701 N THR A 46 -4.557 -7.915 -0.531 1.00 0.29 N ATOM 702 CA THR A 46 -3.817 -8.141 0.701 1.00 0.31 C ATOM 703 C THR A 46 -4.108 -9.526 1.257 1.00 0.39 C ATOM 704 O THR A 46 -5.018 -10.209 0.781 1.00 0.49 O ATOM 705 CB THR A 46 -4.155 -7.085 1.760 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.571 -7.021 1.944 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.623 -5.717 1.358 1.00 0.50 C ATOM 0 H THR A 46 -5.536 -7.664 -0.391 1.00 0.29 H new ATOM 0 HA THR A 46 -2.757 -8.064 0.460 1.00 0.31 H new ATOM 0 HB THR A 46 -3.678 -7.374 2.697 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.988 -6.635 1.145 1.00 0.53 H new ATOM 0 HG21 THR A 46 -3.877 -4.987 2.127 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.540 -5.766 1.248 1.00 0.50 H new ATOM 0 HG23 THR A 46 -4.071 -5.416 0.411 1.00 0.50 H new ATOM 715 N ARG A 47 -3.311 -9.945 2.244 1.00 0.39 N ATOM 716 CA ARG A 47 -3.472 -11.243 2.899 1.00 0.51 C ATOM 717 C ARG A 47 -4.914 -11.552 3.285 1.00 0.72 C ATOM 718 O ARG A 47 -5.371 -12.679 3.116 1.00 0.92 O ATOM 719 CB ARG A 47 -2.627 -11.305 4.172 1.00 0.54 C ATOM 720 CG ARG A 47 -1.139 -11.084 3.966 1.00 0.95 C ATOM 721 CD ARG A 47 -0.367 -11.405 5.236 1.00 1.27 C ATOM 722 NE ARG A 47 0.976 -10.840 5.230 1.00 2.09 N ATOM 723 CZ ARG A 47 2.068 -11.500 5.600 1.00 2.77 C ATOM 724 NH1 ARG A 47 2.007 -12.790 5.907 1.00 2.94 N ATOM 725 NH2 ARG A 47 3.228 -10.861 5.652 1.00 3.73 N ATOM 0 H ARG A 47 -2.536 -9.392 2.611 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.147 -11.982 2.167 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.997 -10.556 4.872 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -2.773 -12.279 4.640 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -0.783 -11.712 3.149 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -0.957 -10.049 3.675 1.00 0.95 H new ATOM 0 HD2 ARG A 47 -0.915 -11.022 6.097 1.00 1.27 H new ATOM 0 HD3 ARG A 47 -0.302 -12.487 5.354 1.00 1.27 H new ATOM 0 HE ARG A 47 1.085 -9.874 4.921 1.00 2.09 H new ATOM 0 HH11 ARG A 47 1.116 -13.284 5.860 1.00 2.94 H new ATOM 0 HH12 ARG A 47 2.851 -13.287 6.190 1.00 2.94 H new ATOM 0 HH21 ARG A 47 3.277 -9.872 5.409 1.00 3.73 H new ATOM 0 HH22 ARG A 47 4.072 -11.359 5.935 1.00 3.73 H new ATOM 739 N ASP A 48 -5.638 -10.566 3.797 1.00 0.78 N ATOM 740 CA ASP A 48 -6.954 -10.844 4.345 1.00 1.06 C ATOM 741 C ASP A 48 -8.058 -10.579 3.340 1.00 1.04 C ATOM 742 O ASP A 48 -8.993 -11.369 3.224 1.00 1.45 O ATOM 743 CB ASP A 48 -7.210 -10.056 5.625 1.00 1.30 C ATOM 744 CG ASP A 48 -8.574 -10.371 6.209 1.00 1.83 C ATOM 745 OD1 ASP A 48 -8.855 -11.560 6.474 1.00 2.70 O ATOM 746 OD2 ASP A 48 -9.370 -9.430 6.421 1.00 1.79 O ATOM 0 H ASP A 48 -5.344 -9.590 3.844 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.966 -11.907 4.587 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -6.437 -10.289 6.357 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -7.140 -8.988 5.416 1.00 1.30 H new ATOM 751 N GLY A 49 -7.969 -9.473 2.623 1.00 0.68 N ATOM 752 CA GLY A 49 -8.955 -9.213 1.597 1.00 0.72 C ATOM 753 C GLY A 49 -9.240 -7.744 1.391 1.00 0.70 C ATOM 754 O GLY A 49 -10.343 -7.377 0.987 1.00 0.77 O ATOM 0 H GLY A 49 -7.246 -8.761 2.728 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.611 -9.643 0.657 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.883 -9.721 1.859 1.00 0.72 H new ATOM 758 N THR A 50 -8.260 -6.896 1.656 1.00 0.65 N ATOM 759 CA THR A 50 -8.385 -5.476 1.359 1.00 0.69 C ATOM 760 C THR A 50 -7.598 -5.182 0.084 1.00 0.55 C ATOM 761 O THR A 50 -6.603 -5.856 -0.195 1.00 0.52 O ATOM 762 CB THR A 50 -7.843 -4.615 2.522 1.00 0.83 C ATOM 763 OG1 THR A 50 -8.394 -5.085 3.755 1.00 1.25 O ATOM 764 CG2 THR A 50 -8.194 -3.140 2.343 1.00 1.35 C ATOM 0 H THR A 50 -7.370 -7.164 2.076 1.00 0.65 H new ATOM 0 HA THR A 50 -9.438 -5.227 1.225 1.00 0.69 H new ATOM 0 HB THR A 50 -6.757 -4.705 2.531 1.00 0.83 H new ATOM 0 HG1 THR A 50 -8.051 -4.542 4.495 1.00 1.25 H new ATOM 0 HG21 THR A 50 -7.796 -2.567 3.180 1.00 1.35 H new ATOM 0 HG22 THR A 50 -7.760 -2.773 1.413 1.00 1.35 H new ATOM 0 HG23 THR A 50 -9.277 -3.026 2.307 1.00 1.35 H new ATOM 772 N LYS A 51 -8.032 -4.205 -0.695 1.00 0.53 N ATOM 773 CA LYS A 51 -7.417 -3.962 -1.991 1.00 0.52 C ATOM 774 C LYS A 51 -6.962 -2.515 -2.139 1.00 0.51 C ATOM 775 O LYS A 51 -7.600 -1.593 -1.623 1.00 0.56 O ATOM 776 CB LYS A 51 -8.393 -4.356 -3.096 1.00 0.59 C ATOM 777 CG LYS A 51 -8.780 -5.824 -3.017 1.00 0.67 C ATOM 778 CD LYS A 51 -9.876 -6.194 -3.992 1.00 1.19 C ATOM 779 CE LYS A 51 -10.302 -7.635 -3.777 1.00 1.26 C ATOM 780 NZ LYS A 51 -11.374 -8.057 -4.710 1.00 1.84 N ATOM 0 H LYS A 51 -8.798 -3.574 -0.458 1.00 0.53 H new ATOM 0 HA LYS A 51 -6.521 -4.577 -2.073 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.290 -3.740 -3.024 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -7.943 -4.151 -4.067 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -7.901 -6.438 -3.215 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -9.108 -6.055 -2.004 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -10.731 -5.531 -3.859 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -9.524 -6.060 -5.015 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -9.438 -8.288 -3.902 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -10.649 -7.758 -2.751 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -11.628 -9.048 -4.521 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -12.210 -7.453 -4.574 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -11.037 -7.966 -5.690 1.00 1.84 H new ATOM 794 N ILE A 52 -5.834 -2.337 -2.826 1.00 0.47 N ATOM 795 CA ILE A 52 -5.214 -1.026 -3.003 1.00 0.46 C ATOM 796 C ILE A 52 -4.712 -0.852 -4.438 1.00 0.46 C ATOM 797 O ILE A 52 -4.465 -1.829 -5.137 1.00 0.52 O ATOM 798 CB ILE A 52 -4.015 -0.829 -2.039 1.00 0.48 C ATOM 799 CG1 ILE A 52 -2.955 -1.911 -2.276 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.477 -0.848 -0.589 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.699 -1.737 -1.447 1.00 0.51 C ATOM 0 H ILE A 52 -5.325 -3.098 -3.275 1.00 0.47 H new ATOM 0 HA ILE A 52 -5.980 -0.283 -2.782 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.571 0.145 -2.243 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.391 -2.886 -2.056 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.683 -1.914 -3.332 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.619 -0.708 0.068 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.194 -0.044 -0.425 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -4.949 -1.806 -0.370 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.000 -2.542 -1.673 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.237 -0.778 -1.683 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -1.955 -1.765 -0.388 1.00 0.51 H new ATOM 813 N ILE A 53 -4.550 0.394 -4.863 1.00 0.42 N ATOM 814 CA ILE A 53 -4.009 0.702 -6.195 1.00 0.41 C ATOM 815 C ILE A 53 -3.477 2.129 -6.234 1.00 0.42 C ATOM 816 O ILE A 53 -3.986 3.010 -5.544 1.00 0.44 O ATOM 817 CB ILE A 53 -5.031 0.442 -7.361 1.00 0.40 C ATOM 818 CG1 ILE A 53 -4.659 1.195 -8.658 1.00 0.43 C ATOM 819 CG2 ILE A 53 -6.450 0.786 -6.949 1.00 0.42 C ATOM 820 CD1 ILE A 53 -5.314 2.559 -8.814 1.00 0.98 C ATOM 0 H ILE A 53 -4.785 1.216 -4.307 1.00 0.42 H new ATOM 0 HA ILE A 53 -3.185 0.010 -6.366 1.00 0.41 H new ATOM 0 HB ILE A 53 -4.977 -0.626 -7.572 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -3.577 1.321 -8.690 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -4.933 0.576 -9.512 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -7.127 0.593 -7.781 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.740 0.173 -6.096 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -6.504 1.839 -6.674 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -4.994 3.011 -9.753 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -6.398 2.444 -8.818 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -5.020 3.201 -7.983 1.00 0.98 H new ATOM 832 N MET A 54 -2.453 2.347 -7.046 1.00 0.44 N ATOM 833 CA MET A 54 -1.816 3.650 -7.158 1.00 0.47 C ATOM 834 C MET A 54 -2.103 4.241 -8.530 1.00 0.48 C ATOM 835 O MET A 54 -1.894 3.588 -9.550 1.00 0.54 O ATOM 836 CB MET A 54 -0.306 3.520 -6.945 1.00 0.52 C ATOM 837 CG MET A 54 0.463 4.816 -7.155 1.00 0.60 C ATOM 838 SD MET A 54 2.246 4.594 -6.988 1.00 1.08 S ATOM 839 CE MET A 54 2.839 6.242 -7.354 1.00 1.50 C ATOM 0 H MET A 54 -2.042 1.629 -7.643 1.00 0.44 H new ATOM 0 HA MET A 54 -2.219 4.312 -6.391 1.00 0.47 H new ATOM 0 HB2 MET A 54 -0.122 3.160 -5.933 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.083 2.764 -7.627 1.00 0.52 H new ATOM 0 HG2 MET A 54 0.240 5.211 -8.146 1.00 0.60 H new ATOM 0 HG3 MET A 54 0.123 5.558 -6.433 1.00 0.60 H new ATOM 0 HE1 MET A 54 3.899 6.200 -7.604 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.283 6.650 -8.198 1.00 1.50 H new ATOM 0 HE3 MET A 54 2.697 6.882 -6.483 1.00 1.50 H new ATOM 849 N LYS A 55 -2.615 5.459 -8.547 1.00 0.52 N ATOM 850 CA LYS A 55 -2.886 6.157 -9.792 1.00 0.58 C ATOM 851 C LYS A 55 -2.630 7.646 -9.614 1.00 0.66 C ATOM 852 O LYS A 55 -3.127 8.254 -8.670 1.00 0.70 O ATOM 853 CB LYS A 55 -4.330 5.912 -10.238 1.00 0.72 C ATOM 854 CG LYS A 55 -4.631 6.433 -11.632 1.00 0.95 C ATOM 855 CD LYS A 55 -3.749 5.759 -12.674 1.00 0.94 C ATOM 856 CE LYS A 55 -3.940 6.366 -14.052 1.00 1.11 C ATOM 857 NZ LYS A 55 -3.000 5.788 -15.050 1.00 1.69 N ATOM 0 H LYS A 55 -2.853 5.988 -7.708 1.00 0.52 H new ATOM 0 HA LYS A 55 -2.220 5.774 -10.565 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -4.535 4.842 -10.207 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -5.007 6.387 -9.528 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -5.680 6.256 -11.870 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -4.474 7.511 -11.662 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -2.704 5.849 -12.379 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -3.979 4.694 -12.711 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -4.966 6.201 -14.382 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -3.792 7.445 -13.997 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -3.044 6.342 -15.929 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -2.032 5.815 -14.671 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -3.267 4.802 -15.248 1.00 1.69 H new ATOM 871 N GLY A 56 -1.852 8.228 -10.519 1.00 0.77 N ATOM 872 CA GLY A 56 -1.520 9.638 -10.422 1.00 0.93 C ATOM 873 C GLY A 56 -0.808 9.985 -9.126 1.00 0.94 C ATOM 874 O GLY A 56 -1.044 11.048 -8.556 1.00 1.21 O ATOM 0 H GLY A 56 -1.444 7.747 -11.321 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -0.888 9.917 -11.265 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -2.433 10.228 -10.499 1.00 0.93 H new ATOM 878 N ASN A 57 0.050 9.069 -8.661 1.00 0.99 N ATOM 879 CA ASN A 57 0.808 9.227 -7.404 1.00 1.05 C ATOM 880 C ASN A 57 -0.101 9.086 -6.185 1.00 0.97 C ATOM 881 O ASN A 57 0.368 9.015 -5.050 1.00 1.15 O ATOM 882 CB ASN A 57 1.550 10.569 -7.343 1.00 1.30 C ATOM 883 CG ASN A 57 2.517 10.760 -8.491 1.00 1.96 C ATOM 884 OD1 ASN A 57 3.685 10.381 -8.411 1.00 2.10 O ATOM 885 ND2 ASN A 57 2.028 11.346 -9.570 1.00 2.90 N ATOM 0 H ASN A 57 0.242 8.192 -9.145 1.00 0.99 H new ATOM 0 HA ASN A 57 1.549 8.427 -7.388 1.00 1.05 H new ATOM 0 HB2 ASN A 57 0.823 11.381 -7.348 1.00 1.30 H new ATOM 0 HB3 ASN A 57 2.095 10.635 -6.401 1.00 1.30 H new ATOM 0 HD21 ASN A 57 2.626 11.500 -10.382 1.00 2.90 H new ATOM 0 HD22 ASN A 57 1.053 11.644 -9.591 1.00 2.90 H new ATOM 892 N GLU A 58 -1.397 9.051 -6.427 1.00 0.86 N ATOM 893 CA GLU A 58 -2.371 8.852 -5.368 1.00 0.84 C ATOM 894 C GLU A 58 -2.592 7.377 -5.098 1.00 0.69 C ATOM 895 O GLU A 58 -2.650 6.566 -6.023 1.00 0.75 O ATOM 896 CB GLU A 58 -3.695 9.502 -5.725 1.00 0.88 C ATOM 897 CG GLU A 58 -3.701 11.002 -5.514 1.00 1.05 C ATOM 898 CD GLU A 58 -3.442 11.383 -4.072 1.00 1.30 C ATOM 899 OE1 GLU A 58 -4.277 11.050 -3.203 1.00 1.63 O ATOM 900 OE2 GLU A 58 -2.405 12.024 -3.799 1.00 1.66 O ATOM 0 H GLU A 58 -1.804 9.159 -7.356 1.00 0.86 H new ATOM 0 HA GLU A 58 -1.973 9.319 -4.467 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -3.928 9.288 -6.768 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -4.486 9.054 -5.123 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -2.942 11.459 -6.149 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -4.664 11.406 -5.826 1.00 1.05 H new ATOM 907 N ILE A 59 -2.700 7.038 -3.830 1.00 0.64 N ATOM 908 CA ILE A 59 -2.985 5.676 -3.439 1.00 0.56 C ATOM 909 C ILE A 59 -4.455 5.517 -3.047 1.00 0.55 C ATOM 910 O ILE A 59 -4.989 6.266 -2.225 1.00 0.63 O ATOM 911 CB ILE A 59 -2.027 5.209 -2.305 1.00 0.62 C ATOM 912 CG1 ILE A 59 -1.010 4.215 -2.866 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.773 4.599 -1.120 1.00 0.58 C ATOM 914 CD1 ILE A 59 -1.607 2.885 -3.276 1.00 0.92 C ATOM 0 H ILE A 59 -2.594 7.689 -3.052 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.807 5.029 -4.298 1.00 0.56 H new ATOM 0 HB ILE A 59 -1.510 6.092 -1.928 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -0.519 4.663 -3.730 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -0.238 4.039 -2.117 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -2.056 4.291 -0.359 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -3.454 5.339 -0.699 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.342 3.732 -1.455 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.821 2.237 -3.663 1.00 0.92 H new ATOM 0 HD12 ILE A 59 -2.073 2.413 -2.411 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -2.358 3.046 -4.049 1.00 0.92 H new ATOM 926 N PHE A 60 -5.108 4.578 -3.703 1.00 0.48 N ATOM 927 CA PHE A 60 -6.431 4.125 -3.324 1.00 0.48 C ATOM 928 C PHE A 60 -6.276 3.068 -2.247 1.00 0.48 C ATOM 929 O PHE A 60 -5.586 2.068 -2.439 1.00 0.45 O ATOM 930 CB PHE A 60 -7.159 3.584 -4.579 1.00 0.50 C ATOM 931 CG PHE A 60 -8.094 2.403 -4.384 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.590 1.136 -4.155 1.00 0.44 C ATOM 933 CD2 PHE A 60 -9.470 2.547 -4.495 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.408 0.042 -4.038 1.00 0.47 C ATOM 935 CE2 PHE A 60 -10.306 1.445 -4.367 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.766 0.189 -4.139 1.00 0.54 C ATOM 0 H PHE A 60 -4.730 4.103 -4.523 1.00 0.48 H new ATOM 0 HA PHE A 60 -7.035 4.938 -2.922 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.734 4.401 -5.015 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -6.404 3.299 -5.311 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.522 1.004 -4.066 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.894 3.523 -4.682 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -7.982 -0.935 -3.866 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -11.376 1.567 -4.445 1.00 0.71 H new ATOM 0 HZ PHE A 60 -10.413 -0.670 -4.041 1.00 0.54 H new ATOM 946 N ARG A 61 -6.839 3.336 -1.094 1.00 0.60 N ATOM 947 CA ARG A 61 -6.962 2.325 -0.071 1.00 0.70 C ATOM 948 C ARG A 61 -8.439 2.097 0.131 1.00 0.69 C ATOM 949 O ARG A 61 -9.090 2.866 0.836 1.00 0.88 O ATOM 950 CB ARG A 61 -6.317 2.773 1.240 1.00 1.03 C ATOM 951 CG ARG A 61 -6.382 1.724 2.337 1.00 1.21 C ATOM 952 CD ARG A 61 -6.651 2.353 3.695 1.00 1.51 C ATOM 953 NE ARG A 61 -5.722 3.447 3.998 1.00 2.25 N ATOM 954 CZ ARG A 61 -5.809 4.225 5.081 1.00 2.70 C ATOM 955 NH1 ARG A 61 -6.754 4.004 5.987 1.00 2.72 N ATOM 956 NH2 ARG A 61 -4.940 5.215 5.263 1.00 3.56 N ATOM 0 H ARG A 61 -7.220 4.247 -0.840 1.00 0.60 H new ATOM 0 HA ARG A 61 -6.451 1.413 -0.378 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -5.274 3.028 1.054 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -6.810 3.681 1.587 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -7.167 1.004 2.107 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -5.443 1.172 2.370 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -7.673 2.730 3.722 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -6.573 1.589 4.468 1.00 1.51 H new ATOM 0 HE ARG A 61 -4.962 3.625 3.341 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -7.416 3.239 5.857 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -6.818 4.599 6.813 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -4.205 5.382 4.575 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -5.008 5.808 6.090 1.00 3.56 H new ATOM 970 N LEU A 62 -8.927 1.012 -0.463 1.00 0.78 N ATOM 971 CA LEU A 62 -10.370 0.770 -0.700 1.00 1.07 C ATOM 972 C LEU A 62 -11.155 2.048 -1.104 1.00 1.19 C ATOM 973 O LEU A 62 -12.373 1.999 -1.274 1.00 1.40 O ATOM 974 CB LEU A 62 -11.027 0.125 0.531 1.00 1.26 C ATOM 975 CG LEU A 62 -11.061 0.976 1.808 1.00 1.08 C ATOM 976 CD1 LEU A 62 -12.461 0.996 2.396 1.00 1.36 C ATOM 977 CD2 LEU A 62 -10.067 0.440 2.825 1.00 1.32 C ATOM 0 H LEU A 62 -8.332 0.257 -0.803 1.00 0.78 H new ATOM 0 HA LEU A 62 -10.419 0.085 -1.547 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -12.051 -0.143 0.271 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -10.501 -0.804 0.753 1.00 1.26 H new ATOM 0 HG LEU A 62 -10.780 1.998 1.552 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -12.467 1.604 3.301 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -13.155 1.420 1.670 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -12.768 -0.021 2.640 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -10.102 1.053 3.726 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -10.323 -0.589 3.076 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -9.062 0.471 2.403 1.00 1.32 H new ATOM 989 N ASP A 63 -10.435 3.161 -1.307 1.00 1.20 N ATOM 990 CA ASP A 63 -11.012 4.503 -1.444 1.00 1.33 C ATOM 991 C ASP A 63 -11.919 4.848 -0.241 1.00 1.52 C ATOM 992 O ASP A 63 -12.193 3.999 0.604 1.00 2.14 O ATOM 993 CB ASP A 63 -11.733 4.650 -2.790 1.00 1.34 C ATOM 994 CG ASP A 63 -12.334 6.029 -2.999 1.00 1.60 C ATOM 995 OD1 ASP A 63 -11.686 7.029 -2.632 1.00 1.69 O ATOM 996 OD2 ASP A 63 -13.462 6.116 -3.531 1.00 1.88 O ATOM 0 H ASP A 63 -9.418 3.152 -1.382 1.00 1.20 H new ATOM 0 HA ASP A 63 -10.201 5.231 -1.437 1.00 1.33 H new ATOM 0 HB2 ASP A 63 -11.030 4.441 -3.596 1.00 1.34 H new ATOM 0 HB3 ASP A 63 -12.524 3.902 -2.855 1.00 1.34 H new ATOM 1001 N GLU A 64 -12.307 6.121 -0.140 1.00 1.62 N ATOM 1002 CA GLU A 64 -13.125 6.648 0.971 1.00 1.93 C ATOM 1003 C GLU A 64 -12.271 6.821 2.229 1.00 1.82 C ATOM 1004 O GLU A 64 -12.388 7.824 2.934 1.00 2.06 O ATOM 1005 CB GLU A 64 -14.351 5.764 1.254 1.00 2.31 C ATOM 1006 CG GLU A 64 -15.273 6.308 2.339 1.00 2.80 C ATOM 1007 CD GLU A 64 -15.888 7.650 1.981 1.00 3.36 C ATOM 1008 OE1 GLU A 64 -16.966 7.673 1.348 1.00 3.80 O ATOM 1009 OE2 GLU A 64 -15.291 8.693 2.313 1.00 3.77 O ATOM 0 H GLU A 64 -12.063 6.829 -0.832 1.00 1.62 H new ATOM 0 HA GLU A 64 -13.501 7.625 0.668 1.00 1.93 H new ATOM 0 HB2 GLU A 64 -14.921 5.647 0.333 1.00 2.31 H new ATOM 0 HB3 GLU A 64 -14.010 4.771 1.546 1.00 2.31 H new ATOM 0 HG2 GLU A 64 -16.070 5.588 2.525 1.00 2.80 H new ATOM 0 HG3 GLU A 64 -14.711 6.409 3.268 1.00 2.80 H new ATOM 1016 N ALA A 65 -11.394 5.853 2.474 1.00 1.56 N ATOM 1017 CA ALA A 65 -10.428 5.925 3.564 1.00 1.58 C ATOM 1018 C ALA A 65 -9.621 7.215 3.497 1.00 1.62 C ATOM 1019 O ALA A 65 -9.304 7.830 4.512 1.00 1.76 O ATOM 1020 CB ALA A 65 -9.493 4.732 3.490 1.00 1.52 C ATOM 0 H ALA A 65 -11.333 4.997 1.923 1.00 1.56 H new ATOM 0 HA ALA A 65 -10.972 5.912 4.509 1.00 1.58 H new ATOM 0 HB1 ALA A 65 -8.770 4.785 4.304 1.00 1.52 H new ATOM 0 HB2 ALA A 65 -10.070 3.811 3.576 1.00 1.52 H new ATOM 0 HB3 ALA A 65 -8.966 4.742 2.536 1.00 1.52 H new ATOM 1026 N LEU A 66 -9.295 7.611 2.277 1.00 1.64 N ATOM 1027 CA LEU A 66 -8.521 8.814 2.033 1.00 1.88 C ATOM 1028 C LEU A 66 -9.449 9.975 1.722 1.00 2.10 C ATOM 1029 O LEU A 66 -9.102 11.138 1.926 1.00 2.36 O ATOM 1030 CB LEU A 66 -7.565 8.576 0.875 1.00 2.16 C ATOM 1031 CG LEU A 66 -6.760 7.288 0.997 1.00 1.52 C ATOM 1032 CD1 LEU A 66 -7.319 6.217 0.074 1.00 1.76 C ATOM 1033 CD2 LEU A 66 -5.297 7.559 0.716 1.00 1.84 C ATOM 0 H LEU A 66 -9.560 7.107 1.430 1.00 1.64 H new ATOM 0 HA LEU A 66 -7.945 9.061 2.925 1.00 1.88 H new ATOM 0 HB2 LEU A 66 -8.134 8.551 -0.054 1.00 2.16 H new ATOM 0 HB3 LEU A 66 -6.877 9.418 0.805 1.00 2.16 H new ATOM 0 HG LEU A 66 -6.842 6.914 2.018 1.00 1.52 H new ATOM 0 HD11 LEU A 66 -6.730 5.305 0.176 1.00 1.76 H new ATOM 0 HD12 LEU A 66 -8.356 6.011 0.341 1.00 1.76 H new ATOM 0 HD13 LEU A 66 -7.272 6.565 -0.958 1.00 1.76 H new ATOM 0 HD21 LEU A 66 -4.731 6.632 0.806 1.00 1.84 H new ATOM 0 HD22 LEU A 66 -5.188 7.954 -0.294 1.00 1.84 H new ATOM 0 HD23 LEU A 66 -4.917 8.287 1.433 1.00 1.84 H new ATOM 1045 N ARG A 67 -10.637 9.635 1.238 1.00 2.14 N ATOM 1046 CA ARG A 67 -11.652 10.616 0.889 1.00 2.52 C ATOM 1047 C ARG A 67 -12.064 11.409 2.129 1.00 2.72 C ATOM 1048 O ARG A 67 -12.029 12.641 2.136 1.00 3.05 O ATOM 1049 CB ARG A 67 -12.866 9.905 0.285 1.00 2.77 C ATOM 1050 CG ARG A 67 -13.900 10.835 -0.313 1.00 3.00 C ATOM 1051 CD ARG A 67 -15.188 10.098 -0.648 1.00 3.22 C ATOM 1052 NE ARG A 67 -14.979 8.976 -1.566 1.00 3.39 N ATOM 1053 CZ ARG A 67 -15.975 8.274 -2.113 1.00 3.94 C ATOM 1054 NH1 ARG A 67 -17.236 8.606 -1.869 1.00 4.45 N ATOM 1055 NH2 ARG A 67 -15.716 7.245 -2.905 1.00 4.37 N ATOM 0 H ARG A 67 -10.923 8.669 1.077 1.00 2.14 H new ATOM 0 HA ARG A 67 -11.244 11.310 0.154 1.00 2.52 H new ATOM 0 HB2 ARG A 67 -12.522 9.218 -0.488 1.00 2.77 H new ATOM 0 HB3 ARG A 67 -13.341 9.302 1.059 1.00 2.77 H new ATOM 0 HG2 ARG A 67 -14.113 11.642 0.388 1.00 3.00 H new ATOM 0 HG3 ARG A 67 -13.498 11.295 -1.216 1.00 3.00 H new ATOM 0 HD2 ARG A 67 -15.640 9.729 0.273 1.00 3.22 H new ATOM 0 HD3 ARG A 67 -15.896 10.797 -1.092 1.00 3.22 H new ATOM 0 HE ARG A 67 -14.021 8.717 -1.800 1.00 3.39 H new ATOM 0 HH11 ARG A 67 -17.446 9.399 -1.263 1.00 4.45 H new ATOM 0 HH12 ARG A 67 -17.995 8.069 -2.288 1.00 4.45 H new ATOM 0 HH21 ARG A 67 -14.750 6.983 -3.101 1.00 4.37 H new ATOM 0 HH22 ARG A 67 -16.483 6.714 -3.319 1.00 4.37 H new ATOM 1069 N LYS A 68 -12.453 10.694 3.172 1.00 2.79 N ATOM 1070 CA LYS A 68 -12.773 11.316 4.444 1.00 3.26 C ATOM 1071 C LYS A 68 -12.095 10.573 5.583 1.00 3.31 C ATOM 1072 O LYS A 68 -12.507 9.470 5.947 1.00 3.49 O ATOM 1073 CB LYS A 68 -14.283 11.340 4.690 1.00 3.73 C ATOM 1074 CG LYS A 68 -15.063 12.196 3.706 1.00 4.12 C ATOM 1075 CD LYS A 68 -16.514 12.343 4.136 1.00 4.65 C ATOM 1076 CE LYS A 68 -17.230 11.001 4.195 1.00 5.37 C ATOM 1077 NZ LYS A 68 -17.316 10.355 2.859 1.00 5.92 N ATOM 0 H LYS A 68 -12.555 9.679 3.161 1.00 2.79 H new ATOM 0 HA LYS A 68 -12.408 12.342 4.405 1.00 3.26 H new ATOM 0 HB2 LYS A 68 -14.663 10.319 4.646 1.00 3.73 H new ATOM 0 HB3 LYS A 68 -14.469 11.706 5.700 1.00 3.73 H new ATOM 0 HG2 LYS A 68 -14.602 13.181 3.631 1.00 4.12 H new ATOM 0 HG3 LYS A 68 -15.019 11.747 2.714 1.00 4.12 H new ATOM 0 HD2 LYS A 68 -16.555 12.819 5.116 1.00 4.65 H new ATOM 0 HD3 LYS A 68 -17.034 13.001 3.439 1.00 4.65 H new ATOM 0 HE2 LYS A 68 -16.704 10.340 4.884 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -18.234 11.143 4.594 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -17.925 9.514 2.919 1.00 5.92 H new ATOM 0 HZ2 LYS A 68 -17.718 11.026 2.174 1.00 5.92 H new ATOM 0 HZ3 LYS A 68 -16.365 10.072 2.548 1.00 5.92 H new ATOM 1091 N GLY A 69 -11.046 11.163 6.129 1.00 3.64 N ATOM 1092 CA GLY A 69 -10.404 10.580 7.287 1.00 4.05 C ATOM 1093 C GLY A 69 -8.958 10.210 7.037 1.00 4.58 C ATOM 1094 O GLY A 69 -8.395 9.374 7.743 1.00 5.06 O ATOM 0 H GLY A 69 -10.628 12.031 5.794 1.00 3.64 H new ATOM 0 HA2 GLY A 69 -10.455 11.285 8.117 1.00 4.05 H new ATOM 0 HA3 GLY A 69 -10.954 9.689 7.591 1.00 4.05 H new ATOM 1098 N HIS A 70 -8.350 10.824 6.037 1.00 4.87 N ATOM 1099 CA HIS A 70 -6.947 10.575 5.758 1.00 5.68 C ATOM 1100 C HIS A 70 -6.086 11.516 6.595 1.00 6.44 C ATOM 1101 O HIS A 70 -5.504 11.094 7.595 1.00 6.88 O ATOM 1102 CB HIS A 70 -6.645 10.736 4.263 1.00 5.88 C ATOM 1103 CG HIS A 70 -5.337 10.133 3.844 1.00 5.93 C ATOM 1104 ND1 HIS A 70 -4.599 10.599 2.781 1.00 6.60 N ATOM 1105 CD2 HIS A 70 -4.649 9.079 4.342 1.00 5.65 C ATOM 1106 CE1 HIS A 70 -3.512 9.863 2.644 1.00 6.67 C ATOM 1107 NE2 HIS A 70 -3.517 8.931 3.579 1.00 6.10 N ATOM 0 H HIS A 70 -8.800 11.492 5.411 1.00 4.87 H new ATOM 0 HA HIS A 70 -6.711 9.546 6.028 1.00 5.68 H new ATOM 0 HB2 HIS A 70 -7.448 10.276 3.687 1.00 5.88 H new ATOM 0 HB3 HIS A 70 -6.642 11.797 4.014 1.00 5.88 H new ATOM 0 HD2 HIS A 70 -4.937 8.467 5.184 1.00 5.65 H new ATOM 0 HE1 HIS A 70 -2.747 10.000 1.894 1.00 6.67 H new ATOM 0 HE2 HIS A 70 -2.799 8.219 3.713 1.00 6.10 H new ATOM 1116 N SER A 71 -6.021 12.791 6.186 1.00 6.86 N ATOM 1117 CA SER A 71 -5.294 13.820 6.938 1.00 7.78 C ATOM 1118 C SER A 71 -3.882 13.352 7.295 1.00 8.28 C ATOM 1119 O SER A 71 -3.369 13.626 8.382 1.00 8.52 O ATOM 1120 CB SER A 71 -6.081 14.175 8.203 1.00 8.22 C ATOM 1121 OG SER A 71 -7.392 14.611 7.875 1.00 8.32 O ATOM 0 H SER A 71 -6.466 13.134 5.335 1.00 6.86 H new ATOM 0 HA SER A 71 -5.195 14.707 6.312 1.00 7.78 H new ATOM 0 HB2 SER A 71 -6.135 13.306 8.859 1.00 8.22 H new ATOM 0 HB3 SER A 71 -5.559 14.958 8.754 1.00 8.22 H new ATOM 0 HG SER A 71 -7.879 14.831 8.697 1.00 8.32 H new ATOM 1127 N GLU A 72 -3.254 12.677 6.348 1.00 8.69 N ATOM 1128 CA GLU A 72 -1.983 12.014 6.582 1.00 9.41 C ATOM 1129 C GLU A 72 -0.830 13.009 6.518 1.00 10.13 C ATOM 1130 O GLU A 72 -0.876 13.978 5.759 1.00 10.75 O ATOM 1131 CB GLU A 72 -1.805 10.922 5.539 1.00 9.75 C ATOM 1132 CG GLU A 72 -0.714 9.922 5.853 1.00 9.88 C ATOM 1133 CD GLU A 72 -0.584 8.894 4.756 1.00 10.01 C ATOM 1134 OE1 GLU A 72 -1.298 7.878 4.816 1.00 10.45 O ATOM 1135 OE2 GLU A 72 0.271 9.083 3.858 1.00 9.88 O ATOM 0 H GLU A 72 -3.610 12.573 5.398 1.00 8.69 H new ATOM 0 HA GLU A 72 -1.981 11.575 7.580 1.00 9.41 H new ATOM 0 HB2 GLU A 72 -2.748 10.387 5.427 1.00 9.75 H new ATOM 0 HB3 GLU A 72 -1.587 11.388 4.578 1.00 9.75 H new ATOM 0 HG2 GLU A 72 0.235 10.443 5.981 1.00 9.88 H new ATOM 0 HG3 GLU A 72 -0.934 9.424 6.797 1.00 9.88 H new ATOM 1142 N GLY A 73 0.191 12.775 7.331 1.00 10.25 N ATOM 1143 CA GLY A 73 1.335 13.662 7.361 1.00 11.09 C ATOM 1144 C GLY A 73 1.106 14.844 8.280 1.00 11.37 C ATOM 1145 O GLY A 73 1.906 15.114 9.175 1.00 11.62 O ATOM 0 H GLY A 73 0.247 11.984 7.972 1.00 10.25 H new ATOM 0 HA2 GLY A 73 2.215 13.110 7.691 1.00 11.09 H new ATOM 0 HA3 GLY A 73 1.544 14.020 6.353 1.00 11.09 H new ATOM 1149 N GLY A 74 -0.001 15.534 8.068 1.00 11.55 N ATOM 1150 CA GLY A 74 -0.335 16.680 8.877 1.00 12.06 C ATOM 1151 C GLY A 74 -1.210 17.649 8.120 1.00 12.56 C ATOM 1152 O GLY A 74 -0.661 18.528 7.425 1.00 12.99 O ATOM 1153 OXT GLY A 74 -2.447 17.530 8.197 1.00 12.71 O ATOM 0 H GLY A 74 -0.681 15.316 7.340 1.00 11.55 H new ATOM 0 HA2 GLY A 74 -0.849 16.353 9.781 1.00 12.06 H new ATOM 0 HA3 GLY A 74 0.579 17.183 9.194 1.00 12.06 H new TER 1157 GLY A 74