USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1085 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 97 ASN : amide:sc= -0.563 X(o=-1.3,f=-1.1!) USER MOD Set 1.2: A 112 TYR OH : rot -173:sc= -0.743 USER MOD Set 2.1: A 67 CYS SG : rot -109:sc= -2.9! USER MOD Set 2.2: A 71 CYS SG : rot 87:sc= 0.674 USER MOD Set 2.3: A 98 SER OG : rot 68:sc= 2 USER MOD Set 3.1: A 52 THR OG1 : rot -8:sc= 0.62 USER MOD Set 3.2: A 87 GLN : amide:sc= -0.0386 K(o=0.58,f=-0.0073) USER MOD Set 4.1: A 22 ASN : amide:sc= -0.592 X(o=-5.2,f=-5.3) USER MOD Set 4.2: A 37 TYR OH : rot -140:sc= -4.6! USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.19 (180deg=0.962) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.46) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.03 (180deg=-0.253) USER MOD Single : A 18 LYS NZ :NH3+ -121:sc= 1.21 (180deg=-0.196) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= -0.0325 (180deg=-0.193) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= -0.0689 (180deg=-0.341) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0211 (180deg=-0.213) USER MOD Single : A 32 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -0.0957 (180deg=-0.421) USER MOD Single : A 36 HIS : no HE2:sc= 0.195 K(o=0.19,f=-6.4!) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.013 (180deg=-0.164) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0648) USER MOD Single : A 46 THR OG1 : rot -7:sc= 1.25 USER MOD Single : A 47 ASN : amide:sc= -2.1! K(o=-2.1!,f=-0.35) USER MOD Single : A 48 MET CE :methyl -110:sc= -1.91 (180deg=-6.41!) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.000367 USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00151 USER MOD Single : A 53 ASN : amide:sc= -1.97! K(o=-2!,f=-1.4) USER MOD Single : A 54 GLN : amide:sc= -10! C(o=-10!,f=-9.6!) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.3! USER MOD Single : A 61 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0833) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.467 K(o=-0.47,f=-2.7!) USER MOD Single : A 66 LYS NZ :NH3+ -147:sc= 1.26 (180deg=1.06) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.22) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -170:sc=-0.000214 (180deg=-0.0779) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.14) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -128:sc= 0.814 (180deg=-0.0961) USER MOD Single : A 110 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-2.4!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 127:sc= -1.41! USER MOD Single : A 119 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-3.4) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ -163:sc= -0.0867 (180deg=-0.435) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 CYS SG : rot 180:sc= -2.93! USER MOD Single : A 129 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-0.93) USER MOD Single : A 130 GLN : amide:sc= -0.0267 K(o=-0.027,f=-1) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 1.1 (180deg=1.1) USER MOD Single : A 138 GLN : amide:sc= -0.044 K(o=-0.044,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.382 -5.993 1.397 1.00 1.26 N ATOM 2 CA GLU A 9 24.816 -5.925 0.032 1.00 1.05 C ATOM 3 C GLU A 9 23.672 -4.916 -0.004 1.00 0.90 C ATOM 4 O GLU A 9 23.226 -4.459 1.051 1.00 0.98 O ATOM 5 CB GLU A 9 24.320 -7.307 -0.405 1.00 1.37 C ATOM 6 CG GLU A 9 23.976 -7.404 -1.877 1.00 2.20 C ATOM 7 CD GLU A 9 23.299 -8.707 -2.221 1.00 2.80 C ATOM 8 OE1 GLU A 9 22.062 -8.797 -2.085 1.00 3.20 O ATOM 9 OE2 GLU A 9 24.006 -9.647 -2.637 1.00 3.26 O ATOM 0 HA GLU A 9 25.594 -5.602 -0.659 1.00 1.05 H new ATOM 0 HB2 GLU A 9 25.086 -8.046 -0.173 1.00 1.37 H new ATOM 0 HB3 GLU A 9 23.438 -7.567 0.181 1.00 1.37 H new ATOM 0 HG2 GLU A 9 23.324 -6.575 -2.151 1.00 2.20 H new ATOM 0 HG3 GLU A 9 24.886 -7.303 -2.468 1.00 2.20 H new ATOM 18 N ASN A 10 23.193 -4.568 -1.194 1.00 0.79 N ATOM 19 CA ASN A 10 22.153 -3.551 -1.336 1.00 0.66 C ATOM 20 C ASN A 10 20.913 -3.882 -0.506 1.00 0.59 C ATOM 21 O ASN A 10 20.307 -2.986 0.066 1.00 0.53 O ATOM 22 CB ASN A 10 21.763 -3.357 -2.805 1.00 0.62 C ATOM 23 CG ASN A 10 22.920 -2.864 -3.651 1.00 1.14 C ATOM 24 OD1 ASN A 10 23.797 -2.144 -3.171 1.00 1.94 O ATOM 25 ND2 ASN A 10 22.932 -3.253 -4.915 1.00 1.45 N ATOM 0 H ASN A 10 23.507 -4.974 -2.075 1.00 0.79 H new ATOM 0 HA ASN A 10 22.573 -2.619 -0.958 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.398 -4.301 -3.209 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.941 -2.644 -2.868 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.688 -2.956 -5.533 1.00 1.45 H new ATOM 0 HD22 ASN A 10 22.186 -3.850 -5.272 1.00 1.45 H new ATOM 32 N LYS A 11 20.554 -5.164 -0.419 1.00 0.63 N ATOM 33 CA LYS A 11 19.386 -5.583 0.367 1.00 0.62 C ATOM 34 C LYS A 11 19.466 -5.069 1.809 1.00 0.62 C ATOM 35 O LYS A 11 18.463 -4.642 2.387 1.00 0.58 O ATOM 36 CB LYS A 11 19.240 -7.110 0.374 1.00 0.71 C ATOM 37 CG LYS A 11 18.998 -7.712 -1.002 1.00 0.79 C ATOM 38 CD LYS A 11 18.355 -9.091 -0.906 1.00 1.12 C ATOM 39 CE LYS A 11 19.289 -10.125 -0.293 1.00 1.50 C ATOM 40 NZ LYS A 11 20.337 -10.571 -1.248 1.00 2.19 N ATOM 0 H LYS A 11 21.050 -5.928 -0.879 1.00 0.63 H new ATOM 0 HA LYS A 11 18.509 -5.146 -0.111 1.00 0.62 H new ATOM 0 HB2 LYS A 11 20.143 -7.550 0.799 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.413 -7.383 1.030 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.355 -7.050 -1.582 1.00 0.79 H new ATOM 0 HG3 LYS A 11 19.944 -7.787 -1.538 1.00 0.79 H new ATOM 0 HD2 LYS A 11 17.447 -9.025 -0.306 1.00 1.12 H new ATOM 0 HD3 LYS A 11 18.056 -9.420 -1.901 1.00 1.12 H new ATOM 0 HE2 LYS A 11 19.763 -9.704 0.593 1.00 1.50 H new ATOM 0 HE3 LYS A 11 18.708 -10.987 0.035 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 20.886 -11.346 -0.824 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 19.888 -10.904 -2.125 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 20.971 -9.776 -1.464 1.00 2.19 H new ATOM 54 N LYS A 12 20.666 -5.100 2.376 1.00 0.70 N ATOM 55 CA LYS A 12 20.893 -4.603 3.727 1.00 0.74 C ATOM 56 C LYS A 12 20.689 -3.090 3.776 1.00 0.66 C ATOM 57 O LYS A 12 19.992 -2.568 4.653 1.00 0.63 O ATOM 58 CB LYS A 12 22.309 -4.968 4.181 1.00 0.90 C ATOM 59 CG LYS A 12 22.704 -4.394 5.532 1.00 1.54 C ATOM 60 CD LYS A 12 21.914 -5.014 6.670 1.00 2.02 C ATOM 61 CE LYS A 12 22.353 -4.446 8.008 1.00 2.38 C ATOM 62 NZ LYS A 12 21.662 -5.097 9.148 1.00 2.83 N ATOM 0 H LYS A 12 21.501 -5.466 1.918 1.00 0.70 H new ATOM 0 HA LYS A 12 20.175 -5.067 4.403 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.395 -6.054 4.222 1.00 0.90 H new ATOM 0 HB3 LYS A 12 23.019 -4.620 3.431 1.00 0.90 H new ATOM 0 HG2 LYS A 12 23.768 -4.559 5.698 1.00 1.54 H new ATOM 0 HG3 LYS A 12 22.546 -3.316 5.527 1.00 1.54 H new ATOM 0 HD2 LYS A 12 20.850 -4.828 6.523 1.00 2.02 H new ATOM 0 HD3 LYS A 12 22.052 -6.095 6.667 1.00 2.02 H new ATOM 0 HE2 LYS A 12 23.430 -4.572 8.118 1.00 2.38 H new ATOM 0 HE3 LYS A 12 22.154 -3.375 8.029 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 21.993 -4.677 10.040 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 20.636 -4.955 9.059 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 21.872 -6.116 9.146 1.00 2.83 H new ATOM 76 N GLN A 13 21.294 -2.387 2.825 1.00 0.64 N ATOM 77 CA GLN A 13 21.159 -0.950 2.731 1.00 0.59 C ATOM 78 C GLN A 13 19.715 -0.564 2.410 1.00 0.50 C ATOM 79 O GLN A 13 19.266 0.521 2.757 1.00 0.49 O ATOM 80 CB GLN A 13 22.090 -0.413 1.653 1.00 0.62 C ATOM 81 CG GLN A 13 22.391 1.055 1.824 1.00 0.90 C ATOM 82 CD GLN A 13 23.024 1.676 0.596 1.00 1.51 C ATOM 83 OE1 GLN A 13 23.731 1.011 -0.164 1.00 2.07 O ATOM 84 NE2 GLN A 13 22.766 2.957 0.390 1.00 2.26 N ATOM 0 H GLN A 13 21.887 -2.800 2.105 1.00 0.64 H new ATOM 0 HA GLN A 13 21.429 -0.513 3.692 1.00 0.59 H new ATOM 0 HB2 GLN A 13 23.023 -0.976 1.671 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.639 -0.576 0.674 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.467 1.585 2.057 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.058 1.187 2.676 1.00 0.90 H new ATOM 0 HE21 GLN A 13 22.175 3.470 1.045 1.00 2.26 H new ATOM 0 HE22 GLN A 13 23.158 3.432 -0.423 1.00 2.26 H new ATOM 93 N ALA A 14 19.000 -1.461 1.741 1.00 0.46 N ATOM 94 CA ALA A 14 17.605 -1.234 1.388 1.00 0.38 C ATOM 95 C ALA A 14 16.761 -1.046 2.634 1.00 0.39 C ATOM 96 O ALA A 14 15.842 -0.229 2.661 1.00 0.36 O ATOM 97 CB ALA A 14 17.073 -2.393 0.560 1.00 0.36 C ATOM 0 H ALA A 14 19.368 -2.360 1.430 1.00 0.46 H new ATOM 0 HA ALA A 14 17.546 -0.323 0.792 1.00 0.38 H new ATOM 0 HB1 ALA A 14 16.030 -2.209 0.304 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.660 -2.487 -0.354 1.00 0.36 H new ATOM 0 HB3 ALA A 14 17.148 -3.316 1.135 1.00 0.36 H new ATOM 103 N LEU A 15 17.078 -1.809 3.672 1.00 0.45 N ATOM 104 CA LEU A 15 16.380 -1.679 4.941 1.00 0.47 C ATOM 105 C LEU A 15 16.666 -0.302 5.527 1.00 0.49 C ATOM 106 O LEU A 15 15.778 0.354 6.074 1.00 0.49 O ATOM 107 CB LEU A 15 16.815 -2.799 5.898 1.00 0.54 C ATOM 108 CG LEU A 15 15.887 -3.079 7.092 1.00 1.13 C ATOM 109 CD1 LEU A 15 16.000 -1.999 8.156 1.00 1.98 C ATOM 110 CD2 LEU A 15 14.447 -3.211 6.625 1.00 1.31 C ATOM 0 H LEU A 15 17.810 -2.520 3.659 1.00 0.45 H new ATOM 0 HA LEU A 15 15.305 -1.775 4.788 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.918 -3.719 5.322 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.804 -2.553 6.285 1.00 0.54 H new ATOM 0 HG LEU A 15 16.203 -4.021 7.541 1.00 1.13 H new ATOM 0 HD11 LEU A 15 15.330 -2.232 8.983 1.00 1.98 H new ATOM 0 HD12 LEU A 15 17.026 -1.954 8.522 1.00 1.98 H new ATOM 0 HD13 LEU A 15 15.726 -1.035 7.727 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.803 -3.409 7.482 1.00 1.31 H new ATOM 0 HD22 LEU A 15 14.135 -2.285 6.143 1.00 1.31 H new ATOM 0 HD23 LEU A 15 14.369 -4.034 5.915 1.00 1.31 H new ATOM 122 N LYS A 16 17.910 0.136 5.384 1.00 0.51 N ATOM 123 CA LYS A 16 18.308 1.475 5.795 1.00 0.54 C ATOM 124 C LYS A 16 17.527 2.526 5.009 1.00 0.48 C ATOM 125 O LYS A 16 16.972 3.459 5.586 1.00 0.49 O ATOM 126 CB LYS A 16 19.811 1.669 5.577 1.00 0.62 C ATOM 127 CG LYS A 16 20.294 3.079 5.862 1.00 0.79 C ATOM 128 CD LYS A 16 21.743 3.263 5.452 1.00 1.64 C ATOM 129 CE LYS A 16 22.255 4.647 5.812 1.00 1.89 C ATOM 130 NZ LYS A 16 22.265 4.868 7.281 1.00 2.88 N ATOM 0 H LYS A 16 18.665 -0.421 4.984 1.00 0.51 H new ATOM 0 HA LYS A 16 18.086 1.593 6.856 1.00 0.54 H new ATOM 0 HB2 LYS A 16 20.354 0.973 6.216 1.00 0.62 H new ATOM 0 HB3 LYS A 16 20.055 1.413 4.546 1.00 0.62 H new ATOM 0 HG2 LYS A 16 19.669 3.794 5.326 1.00 0.79 H new ATOM 0 HG3 LYS A 16 20.185 3.294 6.925 1.00 0.79 H new ATOM 0 HD2 LYS A 16 22.359 2.508 5.941 1.00 1.64 H new ATOM 0 HD3 LYS A 16 21.840 3.107 4.378 1.00 1.64 H new ATOM 0 HE2 LYS A 16 23.263 4.775 5.419 1.00 1.89 H new ATOM 0 HE3 LYS A 16 21.629 5.401 5.335 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 22.859 5.692 7.504 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 21.295 5.041 7.613 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 22.648 4.026 7.756 1.00 2.88 H new ATOM 144 N GLU A 17 17.480 2.353 3.691 1.00 0.42 N ATOM 145 CA GLU A 17 16.777 3.280 2.813 1.00 0.38 C ATOM 146 C GLU A 17 15.292 3.364 3.165 1.00 0.35 C ATOM 147 O GLU A 17 14.686 4.432 3.069 1.00 0.34 O ATOM 148 CB GLU A 17 16.974 2.883 1.343 1.00 0.35 C ATOM 149 CG GLU A 17 18.383 3.132 0.829 1.00 0.39 C ATOM 150 CD GLU A 17 18.935 4.483 1.251 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.440 5.519 0.751 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.869 4.517 2.078 1.00 0.54 O ATOM 0 H GLU A 17 17.924 1.573 3.206 1.00 0.42 H new ATOM 0 HA GLU A 17 17.204 4.272 2.960 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.735 1.826 1.226 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.268 3.440 0.727 1.00 0.35 H new ATOM 0 HG2 GLU A 17 19.042 2.345 1.195 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.384 3.068 -0.259 1.00 0.39 H new ATOM 159 N LYS A 18 14.710 2.249 3.599 1.00 0.34 N ATOM 160 CA LYS A 18 13.310 2.237 4.014 1.00 0.34 C ATOM 161 C LYS A 18 13.109 3.142 5.231 1.00 0.40 C ATOM 162 O LYS A 18 12.161 3.921 5.291 1.00 0.41 O ATOM 163 CB LYS A 18 12.840 0.809 4.336 1.00 0.34 C ATOM 164 CG LYS A 18 11.335 0.706 4.551 1.00 0.33 C ATOM 165 CD LYS A 18 10.889 -0.692 4.972 1.00 0.36 C ATOM 166 CE LYS A 18 11.408 -1.089 6.345 1.00 0.50 C ATOM 167 NZ LYS A 18 10.793 -0.290 7.434 1.00 0.80 N ATOM 0 H LYS A 18 15.182 1.348 3.672 1.00 0.34 H new ATOM 0 HA LYS A 18 12.711 2.615 3.186 1.00 0.34 H new ATOM 0 HB2 LYS A 18 13.130 0.146 3.521 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.353 0.458 5.231 1.00 0.34 H new ATOM 0 HG2 LYS A 18 11.032 1.423 5.314 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.822 0.984 3.630 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.800 -0.735 4.974 1.00 0.36 H new ATOM 0 HD3 LYS A 18 11.235 -1.416 4.235 1.00 0.36 H new ATOM 0 HE2 LYS A 18 11.206 -2.147 6.515 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.490 -0.963 6.372 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 11.537 0.210 7.961 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 10.133 0.402 7.026 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 10.277 -0.922 8.079 1.00 0.80 H new ATOM 181 N GLU A 19 14.028 3.050 6.184 1.00 0.46 N ATOM 182 CA GLU A 19 13.964 3.844 7.409 1.00 0.52 C ATOM 183 C GLU A 19 14.316 5.295 7.136 1.00 0.50 C ATOM 184 O GLU A 19 13.720 6.200 7.709 1.00 0.53 O ATOM 185 CB GLU A 19 14.908 3.258 8.454 1.00 0.58 C ATOM 186 CG GLU A 19 14.599 1.807 8.803 1.00 0.63 C ATOM 187 CD GLU A 19 13.214 1.622 9.397 1.00 1.32 C ATOM 188 OE1 GLU A 19 12.231 1.594 8.625 1.00 2.32 O ATOM 189 OE2 GLU A 19 13.098 1.505 10.636 1.00 1.29 O ATOM 0 H GLU A 19 14.835 2.428 6.133 1.00 0.46 H new ATOM 0 HA GLU A 19 12.943 3.812 7.789 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.932 3.325 8.086 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.854 3.861 9.360 1.00 0.58 H new ATOM 0 HG2 GLU A 19 14.688 1.196 7.905 1.00 0.63 H new ATOM 0 HG3 GLU A 19 15.344 1.443 9.511 1.00 0.63 H new ATOM 196 N LEU A 20 15.279 5.512 6.257 1.00 0.47 N ATOM 197 CA LEU A 20 15.657 6.857 5.852 1.00 0.46 C ATOM 198 C LEU A 20 14.480 7.558 5.179 1.00 0.43 C ATOM 199 O LEU A 20 14.244 8.749 5.391 1.00 0.45 O ATOM 200 CB LEU A 20 16.854 6.799 4.901 1.00 0.45 C ATOM 201 CG LEU A 20 18.218 7.134 5.507 1.00 0.53 C ATOM 202 CD1 LEU A 20 18.231 8.559 6.023 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.578 6.157 6.616 1.00 0.60 C ATOM 0 H LEU A 20 15.816 4.771 5.808 1.00 0.47 H new ATOM 0 HA LEU A 20 15.938 7.426 6.738 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.905 5.796 4.476 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.668 7.486 4.075 1.00 0.45 H new ATOM 0 HG LEU A 20 18.970 7.042 4.724 1.00 0.53 H new ATOM 0 HD11 LEU A 20 19.208 8.782 6.451 1.00 0.58 H new ATOM 0 HD12 LEU A 20 18.030 9.246 5.201 1.00 0.58 H new ATOM 0 HD13 LEU A 20 17.464 8.676 6.789 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.552 6.418 7.029 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.825 6.206 7.403 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.615 5.145 6.212 1.00 0.60 H new ATOM 215 N GLY A 21 13.754 6.811 4.358 1.00 0.39 N ATOM 216 CA GLY A 21 12.542 7.324 3.750 1.00 0.37 C ATOM 217 C GLY A 21 11.456 7.546 4.778 1.00 0.40 C ATOM 218 O GLY A 21 10.871 8.620 4.842 1.00 0.41 O ATOM 0 H GLY A 21 13.985 5.851 4.101 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.759 8.263 3.240 1.00 0.37 H new ATOM 0 HA3 GLY A 21 12.189 6.624 2.993 1.00 0.37 H new ATOM 222 N ASN A 22 11.208 6.529 5.594 1.00 0.43 N ATOM 223 CA ASN A 22 10.216 6.607 6.670 1.00 0.47 C ATOM 224 C ASN A 22 10.483 7.792 7.591 1.00 0.53 C ATOM 225 O ASN A 22 9.559 8.445 8.074 1.00 0.56 O ATOM 226 CB ASN A 22 10.246 5.322 7.499 1.00 0.52 C ATOM 227 CG ASN A 22 9.154 5.266 8.550 1.00 0.59 C ATOM 228 OD1 ASN A 22 8.037 5.738 8.337 1.00 1.27 O ATOM 229 ND2 ASN A 22 9.474 4.694 9.698 1.00 1.23 N ATOM 0 H ASN A 22 11.684 5.629 5.533 1.00 0.43 H new ATOM 0 HA ASN A 22 9.238 6.737 6.208 1.00 0.47 H new ATOM 0 HB2 ASN A 22 10.145 4.465 6.833 1.00 0.52 H new ATOM 0 HB3 ASN A 22 11.217 5.234 7.987 1.00 0.52 H new ATOM 0 HD21 ASN A 22 8.784 4.632 10.447 1.00 1.23 H new ATOM 0 HD22 ASN A 22 10.411 4.315 9.835 1.00 1.23 H new ATOM 236 N ASP A 23 11.751 8.050 7.839 1.00 0.54 N ATOM 237 CA ASP A 23 12.167 9.153 8.688 1.00 0.59 C ATOM 238 C ASP A 23 11.747 10.484 8.076 1.00 0.58 C ATOM 239 O ASP A 23 11.096 11.299 8.725 1.00 0.62 O ATOM 240 CB ASP A 23 13.681 9.110 8.867 1.00 0.61 C ATOM 241 CG ASP A 23 14.165 10.084 9.923 1.00 0.74 C ATOM 242 OD1 ASP A 23 14.092 9.749 11.126 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.612 11.193 9.559 1.00 0.79 O ATOM 0 H ASP A 23 12.523 7.503 7.459 1.00 0.54 H new ATOM 0 HA ASP A 23 11.685 9.057 9.661 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.983 8.100 9.143 1.00 0.61 H new ATOM 0 HB3 ASP A 23 14.163 9.339 7.917 1.00 0.61 H new ATOM 248 N ALA A 24 12.102 10.683 6.812 1.00 0.53 N ATOM 249 CA ALA A 24 11.719 11.885 6.078 1.00 0.53 C ATOM 250 C ALA A 24 10.200 11.955 5.931 1.00 0.53 C ATOM 251 O ALA A 24 9.606 13.034 5.917 1.00 0.58 O ATOM 252 CB ALA A 24 12.396 11.889 4.717 1.00 0.49 C ATOM 0 H ALA A 24 12.659 10.022 6.270 1.00 0.53 H new ATOM 0 HA ALA A 24 12.044 12.765 6.633 1.00 0.53 H new ATOM 0 HB1 ALA A 24 12.109 12.787 4.170 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.478 11.875 4.849 1.00 0.49 H new ATOM 0 HB3 ALA A 24 12.087 11.008 4.155 1.00 0.49 H new ATOM 258 N TYR A 25 9.594 10.781 5.841 1.00 0.48 N ATOM 259 CA TYR A 25 8.144 10.620 5.796 1.00 0.49 C ATOM 260 C TYR A 25 7.502 11.243 7.035 1.00 0.59 C ATOM 261 O TYR A 25 6.390 11.774 6.986 1.00 0.63 O ATOM 262 CB TYR A 25 7.842 9.121 5.720 1.00 0.46 C ATOM 263 CG TYR A 25 6.390 8.741 5.580 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.608 8.550 6.704 1.00 0.64 C ATOM 265 CD2 TYR A 25 5.796 8.614 4.332 1.00 0.40 C ATOM 266 CE1 TYR A 25 4.269 8.238 6.598 1.00 0.68 C ATOM 267 CE2 TYR A 25 4.458 8.295 4.213 1.00 0.45 C ATOM 268 CZ TYR A 25 3.737 7.974 5.296 1.00 0.54 C ATOM 269 OH TYR A 25 2.361 7.801 5.231 1.00 0.63 O ATOM 0 H TYR A 25 10.102 9.898 5.796 1.00 0.48 H new ATOM 0 HA TYR A 25 7.730 11.127 4.925 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.388 8.704 4.874 1.00 0.46 H new ATOM 0 HB3 TYR A 25 8.235 8.646 6.619 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.054 8.647 7.683 1.00 0.64 H new ATOM 0 HD2 TYR A 25 6.388 8.767 3.442 1.00 0.40 H new ATOM 0 HE1 TYR A 25 3.639 8.194 7.474 1.00 0.68 H new ATOM 0 HE2 TYR A 25 3.989 8.304 3.240 1.00 0.45 H new ATOM 0 HH TYR A 25 2.097 7.628 4.303 1.00 0.63 H new ATOM 279 N LYS A 26 8.231 11.190 8.141 1.00 0.65 N ATOM 280 CA LYS A 26 7.761 11.719 9.412 1.00 0.77 C ATOM 281 C LYS A 26 8.047 13.213 9.537 1.00 0.81 C ATOM 282 O LYS A 26 7.571 13.874 10.460 1.00 0.94 O ATOM 283 CB LYS A 26 8.411 10.941 10.555 1.00 0.82 C ATOM 284 CG LYS A 26 7.962 9.494 10.603 1.00 0.86 C ATOM 285 CD LYS A 26 8.692 8.710 11.673 1.00 1.03 C ATOM 286 CE LYS A 26 8.288 7.248 11.642 1.00 0.90 C ATOM 287 NZ LYS A 26 6.838 7.064 11.915 1.00 1.62 N ATOM 0 H LYS A 26 9.164 10.779 8.182 1.00 0.65 H new ATOM 0 HA LYS A 26 6.679 11.596 9.463 1.00 0.77 H new ATOM 0 HB2 LYS A 26 9.495 10.978 10.445 1.00 0.82 H new ATOM 0 HB3 LYS A 26 8.170 11.424 11.502 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.889 9.453 10.792 1.00 0.86 H new ATOM 0 HG3 LYS A 26 8.133 9.029 9.632 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.768 8.797 11.523 1.00 1.03 H new ATOM 0 HD3 LYS A 26 8.471 9.132 12.653 1.00 1.03 H new ATOM 0 HE2 LYS A 26 8.529 6.826 10.666 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.869 6.696 12.381 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 6.642 6.057 12.086 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 6.570 7.616 12.755 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 6.286 7.390 11.096 1.00 1.62 H new ATOM 301 N LYS A 27 8.821 13.743 8.598 1.00 0.75 N ATOM 302 CA LYS A 27 9.144 15.165 8.579 1.00 0.80 C ATOM 303 C LYS A 27 8.392 15.870 7.460 1.00 0.79 C ATOM 304 O LYS A 27 8.753 16.977 7.062 1.00 0.84 O ATOM 305 CB LYS A 27 10.651 15.390 8.402 1.00 0.80 C ATOM 306 CG LYS A 27 11.456 15.266 9.686 1.00 1.16 C ATOM 307 CD LYS A 27 11.426 13.854 10.243 1.00 1.58 C ATOM 308 CE LYS A 27 12.190 13.753 11.548 1.00 1.93 C ATOM 309 NZ LYS A 27 11.622 14.649 12.589 1.00 2.31 N ATOM 0 H LYS A 27 9.238 13.207 7.837 1.00 0.75 H new ATOM 0 HA LYS A 27 8.839 15.583 9.538 1.00 0.80 H new ATOM 0 HB2 LYS A 27 11.032 14.670 7.677 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.812 16.382 7.980 1.00 0.80 H new ATOM 0 HG2 LYS A 27 12.489 15.559 9.496 1.00 1.16 H new ATOM 0 HG3 LYS A 27 11.060 15.958 10.430 1.00 1.16 H new ATOM 0 HD2 LYS A 27 10.392 13.546 10.401 1.00 1.58 H new ATOM 0 HD3 LYS A 27 11.856 13.166 9.515 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.168 12.723 11.903 1.00 1.93 H new ATOM 0 HE3 LYS A 27 13.236 14.010 11.378 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 11.980 14.366 13.524 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 11.904 15.631 12.393 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 10.584 14.578 12.579 1.00 2.31 H new ATOM 323 N LYS A 28 7.353 15.209 6.944 1.00 0.77 N ATOM 324 CA LYS A 28 6.560 15.730 5.827 1.00 0.80 C ATOM 325 C LYS A 28 7.432 15.990 4.605 1.00 0.71 C ATOM 326 O LYS A 28 7.062 16.751 3.709 1.00 0.75 O ATOM 327 CB LYS A 28 5.823 17.003 6.234 1.00 0.96 C ATOM 328 CG LYS A 28 4.926 16.810 7.443 1.00 1.07 C ATOM 329 CD LYS A 28 4.296 18.114 7.899 1.00 1.24 C ATOM 330 CE LYS A 28 3.268 18.634 6.903 1.00 1.77 C ATOM 331 NZ LYS A 28 2.106 17.713 6.763 1.00 2.39 N ATOM 0 H LYS A 28 7.038 14.301 7.287 1.00 0.77 H new ATOM 0 HA LYS A 28 5.823 14.972 5.562 1.00 0.80 H new ATOM 0 HB2 LYS A 28 6.552 17.784 6.450 1.00 0.96 H new ATOM 0 HB3 LYS A 28 5.222 17.352 5.395 1.00 0.96 H new ATOM 0 HG2 LYS A 28 4.141 16.093 7.201 1.00 1.07 H new ATOM 0 HG3 LYS A 28 5.507 16.383 8.261 1.00 1.07 H new ATOM 0 HD2 LYS A 28 3.819 17.966 8.868 1.00 1.24 H new ATOM 0 HD3 LYS A 28 5.075 18.863 8.039 1.00 1.24 H new ATOM 0 HE2 LYS A 28 2.916 19.614 7.225 1.00 1.77 H new ATOM 0 HE3 LYS A 28 3.742 18.769 5.931 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 1.326 18.208 6.285 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 2.386 16.884 6.201 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 1.793 17.403 7.705 1.00 2.39 H new ATOM 345 N ASP A 29 8.587 15.347 4.571 1.00 0.64 N ATOM 346 CA ASP A 29 9.480 15.444 3.436 1.00 0.59 C ATOM 347 C ASP A 29 9.211 14.266 2.522 1.00 0.50 C ATOM 348 O ASP A 29 10.037 13.368 2.380 1.00 0.47 O ATOM 349 CB ASP A 29 10.937 15.439 3.886 1.00 0.60 C ATOM 350 CG ASP A 29 11.846 16.122 2.886 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.637 15.942 1.668 1.00 1.62 O ATOM 352 OD2 ASP A 29 12.771 16.849 3.309 1.00 1.39 O ATOM 0 H ASP A 29 8.927 14.749 5.324 1.00 0.64 H new ATOM 0 HA ASP A 29 9.302 16.382 2.910 1.00 0.59 H new ATOM 0 HB2 ASP A 29 11.019 15.940 4.851 1.00 0.60 H new ATOM 0 HB3 ASP A 29 11.267 14.410 4.031 1.00 0.60 H new ATOM 357 N PHE A 30 8.036 14.273 1.914 1.00 0.49 N ATOM 358 CA PHE A 30 7.545 13.117 1.184 1.00 0.44 C ATOM 359 C PHE A 30 8.304 12.903 -0.119 1.00 0.42 C ATOM 360 O PHE A 30 8.288 11.811 -0.674 1.00 0.43 O ATOM 361 CB PHE A 30 6.037 13.240 0.963 1.00 0.45 C ATOM 362 CG PHE A 30 5.279 13.162 2.260 1.00 0.50 C ATOM 363 CD1 PHE A 30 5.084 11.951 2.906 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.734 14.305 2.819 1.00 0.64 C ATOM 365 CE1 PHE A 30 4.362 11.887 4.081 1.00 0.58 C ATOM 366 CE2 PHE A 30 4.015 14.246 3.994 1.00 0.71 C ATOM 367 CZ PHE A 30 3.928 13.001 4.682 1.00 0.66 C ATOM 0 H PHE A 30 7.402 15.072 1.912 1.00 0.49 H new ATOM 0 HA PHE A 30 7.726 12.227 1.786 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.817 14.186 0.469 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.701 12.446 0.296 1.00 0.45 H new ATOM 0 HD1 PHE A 30 5.501 11.048 2.486 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.874 15.257 2.328 1.00 0.64 H new ATOM 0 HE1 PHE A 30 4.145 10.925 4.521 1.00 0.58 H new ATOM 0 HE2 PHE A 30 3.527 15.126 4.385 1.00 0.71 H new ATOM 0 HZ PHE A 30 3.516 12.957 5.679 1.00 0.66 H new ATOM 377 N ASP A 31 9.000 13.925 -0.589 1.00 0.46 N ATOM 378 CA ASP A 31 9.871 13.757 -1.745 1.00 0.48 C ATOM 379 C ASP A 31 11.103 12.966 -1.344 1.00 0.44 C ATOM 380 O ASP A 31 11.483 12.007 -2.011 1.00 0.42 O ATOM 381 CB ASP A 31 10.294 15.101 -2.341 1.00 0.57 C ATOM 382 CG ASP A 31 9.153 15.817 -3.032 1.00 1.30 C ATOM 383 OD1 ASP A 31 8.788 15.421 -4.158 1.00 1.93 O ATOM 384 OD2 ASP A 31 8.614 16.783 -2.452 1.00 1.61 O ATOM 0 H ASP A 31 8.982 14.866 -0.197 1.00 0.46 H new ATOM 0 HA ASP A 31 9.311 13.217 -2.508 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.690 15.737 -1.549 1.00 0.57 H new ATOM 0 HB3 ASP A 31 11.102 14.940 -3.055 1.00 0.57 H new ATOM 389 N THR A 32 11.710 13.362 -0.234 1.00 0.45 N ATOM 390 CA THR A 32 12.880 12.674 0.292 1.00 0.45 C ATOM 391 C THR A 32 12.496 11.294 0.834 1.00 0.39 C ATOM 392 O THR A 32 13.257 10.329 0.714 1.00 0.38 O ATOM 393 CB THR A 32 13.534 13.519 1.402 1.00 0.50 C ATOM 394 OG1 THR A 32 13.888 14.808 0.882 1.00 0.57 O ATOM 395 CG2 THR A 32 14.767 12.845 1.972 1.00 0.52 C ATOM 0 H THR A 32 11.409 14.162 0.323 1.00 0.45 H new ATOM 0 HA THR A 32 13.596 12.538 -0.518 1.00 0.45 H new ATOM 0 HB THR A 32 12.809 13.627 2.209 1.00 0.50 H new ATOM 0 HG1 THR A 32 13.100 15.390 0.886 1.00 0.57 H new ATOM 0 HG21 THR A 32 15.198 13.474 2.751 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.491 11.879 2.396 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.500 12.697 1.179 1.00 0.52 H new ATOM 403 N ALA A 33 11.308 11.205 1.423 1.00 0.38 N ATOM 404 CA ALA A 33 10.782 9.939 1.914 1.00 0.36 C ATOM 405 C ALA A 33 10.638 8.947 0.775 1.00 0.30 C ATOM 406 O ALA A 33 11.211 7.857 0.803 1.00 0.28 O ATOM 407 CB ALA A 33 9.439 10.148 2.589 1.00 0.39 C ATOM 0 H ALA A 33 10.688 12.001 1.572 1.00 0.38 H new ATOM 0 HA ALA A 33 11.485 9.538 2.644 1.00 0.36 H new ATOM 0 HB1 ALA A 33 9.060 9.192 2.950 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.557 10.832 3.429 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.734 10.570 1.873 1.00 0.39 H new ATOM 413 N LEU A 34 9.890 9.357 -0.240 1.00 0.29 N ATOM 414 CA LEU A 34 9.655 8.539 -1.416 1.00 0.26 C ATOM 415 C LEU A 34 10.979 8.248 -2.118 1.00 0.26 C ATOM 416 O LEU A 34 11.162 7.191 -2.712 1.00 0.26 O ATOM 417 CB LEU A 34 8.692 9.274 -2.347 1.00 0.28 C ATOM 418 CG LEU A 34 7.933 8.424 -3.368 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.390 8.734 -4.780 1.00 0.81 C ATOM 420 CD2 LEU A 34 8.080 6.943 -3.078 1.00 0.53 C ATOM 0 H LEU A 34 9.430 10.267 -0.269 1.00 0.29 H new ATOM 0 HA LEU A 34 9.210 7.587 -1.127 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.961 9.800 -1.733 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.257 10.032 -2.889 1.00 0.28 H new ATOM 0 HG LEU A 34 6.877 8.680 -3.282 1.00 0.33 H new ATOM 0 HD11 LEU A 34 7.835 8.116 -5.486 1.00 0.81 H new ATOM 0 HD12 LEU A 34 8.209 9.786 -4.998 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.455 8.522 -4.872 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.528 6.370 -3.823 1.00 0.53 H new ATOM 0 HD22 LEU A 34 9.134 6.668 -3.116 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.684 6.725 -2.086 1.00 0.53 H new ATOM 432 N LYS A 35 11.903 9.192 -2.016 1.00 0.31 N ATOM 433 CA LYS A 35 13.213 9.065 -2.634 1.00 0.33 C ATOM 434 C LYS A 35 13.982 7.876 -2.055 1.00 0.29 C ATOM 435 O LYS A 35 14.494 7.046 -2.800 1.00 0.30 O ATOM 436 CB LYS A 35 14.007 10.354 -2.425 1.00 0.40 C ATOM 437 CG LYS A 35 14.874 10.745 -3.606 1.00 0.49 C ATOM 438 CD LYS A 35 14.041 11.174 -4.809 1.00 0.53 C ATOM 439 CE LYS A 35 13.325 12.499 -4.563 1.00 0.60 C ATOM 440 NZ LYS A 35 14.283 13.601 -4.289 1.00 1.41 N ATOM 0 H LYS A 35 11.766 10.064 -1.505 1.00 0.31 H new ATOM 0 HA LYS A 35 13.075 8.891 -3.701 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.312 11.166 -2.214 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.640 10.240 -1.545 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.537 11.560 -3.315 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.507 9.903 -3.885 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.686 11.267 -5.683 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.307 10.401 -5.036 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.719 12.752 -5.433 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.643 12.392 -3.720 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 13.804 14.516 -4.412 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.633 13.522 -3.313 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 15.083 13.538 -4.950 1.00 1.41 H new ATOM 454 N HIS A 36 14.059 7.786 -0.727 1.00 0.29 N ATOM 455 CA HIS A 36 14.761 6.668 -0.093 1.00 0.29 C ATOM 456 C HIS A 36 13.941 5.398 -0.195 1.00 0.25 C ATOM 457 O HIS A 36 14.485 4.309 -0.329 1.00 0.27 O ATOM 458 CB HIS A 36 15.062 6.924 1.379 1.00 0.38 C ATOM 459 CG HIS A 36 16.046 8.012 1.639 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.406 7.849 1.495 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.860 9.277 2.064 1.00 0.40 C ATOM 462 CE1 HIS A 36 18.018 8.972 1.823 1.00 0.47 C ATOM 463 NE2 HIS A 36 17.101 9.856 2.171 1.00 0.46 N ATOM 0 H HIS A 36 13.652 8.460 -0.079 1.00 0.29 H new ATOM 0 HA HIS A 36 15.705 6.561 -0.627 1.00 0.29 H new ATOM 0 HB2 HIS A 36 14.130 7.168 1.888 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.436 6.002 1.824 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.868 6.995 1.184 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.912 9.748 2.280 1.00 0.40 H new ATOM 0 HE1 HIS A 36 19.085 9.139 1.809 1.00 0.47 H new ATOM 472 N TYR A 37 12.630 5.542 -0.114 1.00 0.22 N ATOM 473 CA TYR A 37 11.735 4.406 -0.230 1.00 0.21 C ATOM 474 C TYR A 37 11.876 3.746 -1.601 1.00 0.21 C ATOM 475 O TYR A 37 11.953 2.520 -1.709 1.00 0.24 O ATOM 476 CB TYR A 37 10.296 4.851 0.007 1.00 0.22 C ATOM 477 CG TYR A 37 9.844 4.746 1.445 1.00 0.23 C ATOM 478 CD1 TYR A 37 10.119 3.614 2.196 1.00 0.33 C ATOM 479 CD2 TYR A 37 9.188 5.799 2.062 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.747 3.531 3.523 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.822 5.726 3.389 1.00 0.41 C ATOM 482 CZ TYR A 37 8.927 4.512 4.054 1.00 0.36 C ATOM 483 OH TYR A 37 8.756 4.535 5.443 1.00 0.48 O ATOM 0 H TYR A 37 12.162 6.436 0.032 1.00 0.22 H new ATOM 0 HA TYR A 37 12.004 3.670 0.528 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.189 5.885 -0.321 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.634 4.249 -0.615 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.633 2.783 1.736 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.960 6.690 1.495 1.00 0.37 H new ATOM 0 HE1 TYR A 37 10.091 2.712 4.138 1.00 0.40 H new ATOM 0 HE2 TYR A 37 8.458 6.602 3.905 1.00 0.41 H new ATOM 0 HH TYR A 37 7.821 4.739 5.654 1.00 0.48 H new ATOM 493 N ASP A 38 11.918 4.566 -2.642 1.00 0.25 N ATOM 494 CA ASP A 38 12.146 4.078 -3.998 1.00 0.31 C ATOM 495 C ASP A 38 13.563 3.553 -4.131 1.00 0.30 C ATOM 496 O ASP A 38 13.811 2.558 -4.812 1.00 0.32 O ATOM 497 CB ASP A 38 11.902 5.191 -5.009 1.00 0.42 C ATOM 498 CG ASP A 38 12.165 4.752 -6.436 1.00 0.78 C ATOM 499 OD1 ASP A 38 11.358 3.972 -6.985 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.180 5.186 -7.016 1.00 1.51 O ATOM 0 H ASP A 38 11.797 5.577 -2.574 1.00 0.25 H new ATOM 0 HA ASP A 38 11.448 3.265 -4.199 1.00 0.31 H new ATOM 0 HB2 ASP A 38 10.871 5.535 -4.923 1.00 0.42 H new ATOM 0 HB3 ASP A 38 12.542 6.040 -4.770 1.00 0.42 H new ATOM 505 N LYS A 39 14.483 4.230 -3.462 1.00 0.30 N ATOM 506 CA LYS A 39 15.873 3.799 -3.393 1.00 0.32 C ATOM 507 C LYS A 39 15.961 2.387 -2.821 1.00 0.29 C ATOM 508 O LYS A 39 16.661 1.536 -3.359 1.00 0.32 O ATOM 509 CB LYS A 39 16.684 4.767 -2.528 1.00 0.35 C ATOM 510 CG LYS A 39 18.173 4.476 -2.503 1.00 0.41 C ATOM 511 CD LYS A 39 18.778 4.569 -3.891 1.00 0.47 C ATOM 512 CE LYS A 39 20.281 4.381 -3.853 1.00 0.54 C ATOM 513 NZ LYS A 39 20.968 5.510 -3.172 1.00 1.25 N ATOM 0 H LYS A 39 14.289 5.092 -2.952 1.00 0.30 H new ATOM 0 HA LYS A 39 16.287 3.796 -4.401 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.529 5.782 -2.894 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.301 4.734 -1.508 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.672 5.182 -1.839 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.344 3.479 -2.096 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.331 3.812 -4.536 1.00 0.47 H new ATOM 0 HD3 LYS A 39 18.542 5.539 -4.328 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.517 3.450 -3.338 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.660 4.287 -4.871 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 21.992 5.448 -3.343 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.609 6.411 -3.546 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 20.785 5.462 -2.149 1.00 1.25 H new ATOM 527 N ALA A 40 15.227 2.142 -1.740 1.00 0.25 N ATOM 528 CA ALA A 40 15.191 0.828 -1.109 1.00 0.24 C ATOM 529 C ALA A 40 14.689 -0.229 -2.083 1.00 0.22 C ATOM 530 O ALA A 40 15.043 -1.395 -1.977 1.00 0.26 O ATOM 531 CB ALA A 40 14.319 0.856 0.142 1.00 0.22 C ATOM 0 H ALA A 40 14.645 2.842 -1.280 1.00 0.25 H new ATOM 0 HA ALA A 40 16.208 0.567 -0.816 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.305 -0.134 0.598 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.724 1.577 0.852 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.303 1.145 -0.129 1.00 0.22 H new ATOM 537 N LYS A 41 13.872 0.192 -3.038 1.00 0.23 N ATOM 538 CA LYS A 41 13.365 -0.708 -4.068 1.00 0.26 C ATOM 539 C LYS A 41 14.417 -0.938 -5.151 1.00 0.31 C ATOM 540 O LYS A 41 14.467 -2.001 -5.767 1.00 0.37 O ATOM 541 CB LYS A 41 12.107 -0.123 -4.686 1.00 0.29 C ATOM 542 CG LYS A 41 11.546 -0.909 -5.850 1.00 0.41 C ATOM 543 CD LYS A 41 10.324 -0.217 -6.422 1.00 0.78 C ATOM 544 CE LYS A 41 9.771 -0.963 -7.619 1.00 0.89 C ATOM 545 NZ LYS A 41 10.671 -0.869 -8.801 1.00 1.37 N ATOM 0 H LYS A 41 13.544 1.154 -3.122 1.00 0.23 H new ATOM 0 HA LYS A 41 13.131 -1.667 -3.606 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.341 -0.048 -3.914 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.322 0.892 -5.021 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.306 -1.015 -6.624 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.281 -1.915 -5.523 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.555 -0.140 -5.653 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.585 0.800 -6.715 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.625 -2.011 -7.357 1.00 0.89 H new ATOM 0 HE3 LYS A 41 8.792 -0.560 -7.876 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 10.196 -1.275 -9.632 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 10.899 0.129 -8.985 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.548 -1.395 -8.612 1.00 1.37 H new ATOM 559 N GLU A 42 15.239 0.072 -5.402 1.00 0.32 N ATOM 560 CA GLU A 42 16.348 -0.074 -6.334 1.00 0.38 C ATOM 561 C GLU A 42 17.403 -0.982 -5.717 1.00 0.40 C ATOM 562 O GLU A 42 18.128 -1.690 -6.416 1.00 0.50 O ATOM 563 CB GLU A 42 16.963 1.285 -6.678 1.00 0.43 C ATOM 564 CG GLU A 42 15.977 2.279 -7.273 1.00 1.11 C ATOM 565 CD GLU A 42 16.652 3.551 -7.748 1.00 1.81 C ATOM 566 OE1 GLU A 42 17.155 4.321 -6.902 1.00 2.78 O ATOM 567 OE2 GLU A 42 16.687 3.788 -8.975 1.00 2.03 O ATOM 0 H GLU A 42 15.160 0.995 -4.976 1.00 0.32 H new ATOM 0 HA GLU A 42 15.973 -0.515 -7.258 1.00 0.38 H new ATOM 0 HB2 GLU A 42 17.396 1.715 -5.775 1.00 0.43 H new ATOM 0 HB3 GLU A 42 17.781 1.134 -7.383 1.00 0.43 H new ATOM 0 HG2 GLU A 42 15.456 1.813 -8.110 1.00 1.11 H new ATOM 0 HG3 GLU A 42 15.222 2.528 -6.527 1.00 1.11 H new ATOM 574 N LEU A 43 17.470 -0.952 -4.393 1.00 0.36 N ATOM 575 CA LEU A 43 18.365 -1.816 -3.646 1.00 0.39 C ATOM 576 C LEU A 43 17.774 -3.208 -3.514 1.00 0.39 C ATOM 577 O LEU A 43 18.475 -4.202 -3.688 1.00 0.49 O ATOM 578 CB LEU A 43 18.664 -1.235 -2.267 1.00 0.39 C ATOM 579 CG LEU A 43 19.823 -0.246 -2.227 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.576 0.877 -3.193 1.00 0.42 C ATOM 581 CD2 LEU A 43 19.999 0.305 -0.837 1.00 0.45 C ATOM 0 H LEU A 43 16.907 -0.331 -3.812 1.00 0.36 H new ATOM 0 HA LEU A 43 19.303 -1.885 -4.197 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.768 -0.738 -1.896 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.881 -2.055 -1.582 1.00 0.39 H new ATOM 0 HG LEU A 43 20.735 -0.770 -2.513 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.410 1.578 -3.157 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.483 0.475 -4.202 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.655 1.394 -2.922 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.831 1.009 -0.827 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.087 0.817 -0.530 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.207 -0.512 -0.146 1.00 0.45 H new ATOM 593 N ASP A 44 16.483 -3.275 -3.209 1.00 0.32 N ATOM 594 CA ASP A 44 15.793 -4.550 -3.114 1.00 0.33 C ATOM 595 C ASP A 44 14.388 -4.461 -3.704 1.00 0.32 C ATOM 596 O ASP A 44 13.448 -4.022 -3.041 1.00 0.33 O ATOM 597 CB ASP A 44 15.698 -5.024 -1.671 1.00 0.40 C ATOM 598 CG ASP A 44 15.318 -6.489 -1.558 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.786 -7.058 -2.540 1.00 0.52 O ATOM 600 OD2 ASP A 44 15.543 -7.083 -0.482 1.00 1.11 O ATOM 0 H ASP A 44 15.896 -2.461 -3.024 1.00 0.32 H new ATOM 0 HA ASP A 44 16.378 -5.270 -3.686 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.656 -4.862 -1.176 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.960 -4.420 -1.143 1.00 0.40 H new ATOM 605 N PRO A 45 14.235 -4.878 -4.964 1.00 0.41 N ATOM 606 CA PRO A 45 12.939 -4.898 -5.641 1.00 0.49 C ATOM 607 C PRO A 45 12.068 -6.084 -5.229 1.00 0.47 C ATOM 608 O PRO A 45 10.876 -6.118 -5.533 1.00 0.59 O ATOM 609 CB PRO A 45 13.329 -5.019 -7.111 1.00 0.64 C ATOM 610 CG PRO A 45 14.605 -5.781 -7.082 1.00 0.63 C ATOM 611 CD PRO A 45 15.323 -5.330 -5.844 1.00 0.52 C ATOM 0 HA PRO A 45 12.342 -4.019 -5.400 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.564 -5.542 -7.685 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.459 -4.040 -7.572 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.419 -6.855 -7.057 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.200 -5.582 -7.973 1.00 0.63 H new ATOM 0 HD2 PRO A 45 15.894 -6.141 -5.393 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.027 -4.526 -6.058 1.00 0.52 H new ATOM 619 N THR A 46 12.659 -7.058 -4.544 1.00 0.39 N ATOM 620 CA THR A 46 11.922 -8.254 -4.159 1.00 0.40 C ATOM 621 C THR A 46 11.283 -8.083 -2.787 1.00 0.40 C ATOM 622 O THR A 46 10.401 -8.849 -2.395 1.00 0.42 O ATOM 623 CB THR A 46 12.811 -9.514 -4.165 1.00 0.42 C ATOM 624 OG1 THR A 46 13.888 -9.386 -3.227 1.00 0.45 O ATOM 625 CG2 THR A 46 13.373 -9.765 -5.555 1.00 0.46 C ATOM 0 H THR A 46 13.635 -7.043 -4.247 1.00 0.39 H new ATOM 0 HA THR A 46 11.140 -8.391 -4.905 1.00 0.40 H new ATOM 0 HB THR A 46 12.190 -10.360 -3.872 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.896 -8.477 -2.860 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.998 -10.658 -5.539 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.553 -9.908 -6.259 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.972 -8.909 -5.865 1.00 0.46 H new ATOM 633 N ASN A 47 11.726 -7.070 -2.059 1.00 0.52 N ATOM 634 CA ASN A 47 11.138 -6.762 -0.768 1.00 0.56 C ATOM 635 C ASN A 47 9.899 -5.908 -0.968 1.00 0.56 C ATOM 636 O ASN A 47 9.975 -4.677 -1.029 1.00 0.89 O ATOM 637 CB ASN A 47 12.145 -6.058 0.138 1.00 0.78 C ATOM 638 CG ASN A 47 11.680 -5.996 1.579 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.902 -6.921 2.357 1.00 2.13 O ATOM 640 ND2 ASN A 47 11.032 -4.905 1.945 1.00 1.47 N ATOM 0 H ASN A 47 12.487 -6.451 -2.339 1.00 0.52 H new ATOM 0 HA ASN A 47 10.853 -7.693 -0.278 1.00 0.56 H new ATOM 0 HB2 ASN A 47 13.101 -6.580 0.089 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.316 -5.046 -0.230 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.696 -4.809 2.903 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.867 -4.159 1.269 1.00 1.47 H new ATOM 647 N MET A 48 8.760 -6.588 -1.065 1.00 0.29 N ATOM 648 CA MET A 48 7.477 -5.959 -1.368 1.00 0.26 C ATOM 649 C MET A 48 7.186 -4.797 -0.423 1.00 0.24 C ATOM 650 O MET A 48 6.558 -3.809 -0.806 1.00 0.24 O ATOM 651 CB MET A 48 6.357 -7.003 -1.272 1.00 0.22 C ATOM 652 CG MET A 48 5.834 -7.250 0.141 1.00 0.19 C ATOM 653 SD MET A 48 4.445 -6.186 0.578 1.00 1.05 S ATOM 654 CE MET A 48 3.280 -6.612 -0.711 1.00 0.27 C ATOM 0 H MET A 48 8.700 -7.598 -0.935 1.00 0.29 H new ATOM 0 HA MET A 48 7.525 -5.561 -2.381 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.526 -6.684 -1.901 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.722 -7.946 -1.680 1.00 0.22 H new ATOM 0 HG2 MET A 48 5.528 -8.292 0.232 1.00 0.19 H new ATOM 0 HG3 MET A 48 6.643 -7.092 0.854 1.00 0.19 H new ATOM 0 HE1 MET A 48 3.172 -5.771 -1.396 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.644 -7.482 -1.258 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.313 -6.843 -0.265 1.00 0.27 H new ATOM 664 N THR A 49 7.672 -4.915 0.806 1.00 0.24 N ATOM 665 CA THR A 49 7.365 -3.950 1.839 1.00 0.26 C ATOM 666 C THR A 49 7.895 -2.562 1.485 1.00 0.28 C ATOM 667 O THR A 49 7.255 -1.552 1.788 1.00 0.39 O ATOM 668 CB THR A 49 7.932 -4.404 3.196 1.00 0.29 C ATOM 669 OG1 THR A 49 7.423 -5.704 3.528 1.00 0.71 O ATOM 670 CG2 THR A 49 7.563 -3.423 4.289 1.00 0.64 C ATOM 0 H THR A 49 8.282 -5.675 1.107 1.00 0.24 H new ATOM 0 HA THR A 49 6.279 -3.888 1.914 1.00 0.26 H new ATOM 0 HB THR A 49 9.018 -4.445 3.116 1.00 0.29 H new ATOM 0 HG1 THR A 49 7.789 -5.988 4.392 1.00 0.71 H new ATOM 0 HG21 THR A 49 7.975 -3.765 5.239 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.971 -2.441 4.049 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.478 -3.356 4.367 1.00 0.64 H new ATOM 678 N TYR A 50 9.037 -2.513 0.803 1.00 0.23 N ATOM 679 CA TYR A 50 9.620 -1.237 0.411 1.00 0.23 C ATOM 680 C TYR A 50 8.670 -0.516 -0.521 1.00 0.26 C ATOM 681 O TYR A 50 8.370 0.660 -0.340 1.00 0.42 O ATOM 682 CB TYR A 50 10.976 -1.424 -0.281 1.00 0.21 C ATOM 683 CG TYR A 50 12.036 -2.023 0.609 1.00 0.22 C ATOM 684 CD1 TYR A 50 12.009 -1.823 1.982 1.00 0.28 C ATOM 685 CD2 TYR A 50 13.060 -2.790 0.079 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.969 -2.378 2.801 1.00 0.35 C ATOM 687 CE2 TYR A 50 14.026 -3.344 0.895 1.00 0.31 C ATOM 688 CZ TYR A 50 13.974 -3.138 2.253 1.00 0.34 C ATOM 689 OH TYR A 50 14.925 -3.710 3.066 1.00 0.44 O ATOM 0 H TYR A 50 9.570 -3.333 0.514 1.00 0.23 H new ATOM 0 HA TYR A 50 9.783 -0.647 1.313 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.843 -2.064 -1.153 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.324 -0.457 -0.645 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.223 -1.223 2.416 1.00 0.28 H new ATOM 0 HD2 TYR A 50 13.103 -2.957 -0.987 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.931 -2.216 3.868 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.820 -3.938 0.467 1.00 0.31 H new ATOM 0 HH TYR A 50 15.562 -4.215 2.519 1.00 0.44 H new ATOM 699 N ILE A 51 8.163 -1.267 -1.483 1.00 0.18 N ATOM 700 CA ILE A 51 7.285 -0.738 -2.506 1.00 0.19 C ATOM 701 C ILE A 51 5.977 -0.215 -1.903 1.00 0.19 C ATOM 702 O ILE A 51 5.519 0.877 -2.247 1.00 0.22 O ATOM 703 CB ILE A 51 6.977 -1.826 -3.551 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.281 -2.367 -4.153 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.068 -1.276 -4.639 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.099 -3.624 -4.975 1.00 0.33 C ATOM 0 H ILE A 51 8.351 -2.265 -1.575 1.00 0.18 H new ATOM 0 HA ILE A 51 7.796 0.096 -2.987 1.00 0.19 H new ATOM 0 HB ILE A 51 6.458 -2.648 -3.058 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.728 -1.596 -4.780 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.986 -2.570 -3.347 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.860 -2.058 -5.369 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.132 -0.937 -4.194 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.559 -0.438 -5.134 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.064 -3.945 -5.367 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.681 -4.412 -4.348 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.420 -3.422 -5.803 1.00 0.33 H new ATOM 718 N THR A 52 5.389 -0.983 -0.990 1.00 0.20 N ATOM 719 CA THR A 52 4.138 -0.580 -0.349 1.00 0.24 C ATOM 720 C THR A 52 4.334 0.664 0.513 1.00 0.24 C ATOM 721 O THR A 52 3.394 1.423 0.756 1.00 0.27 O ATOM 722 CB THR A 52 3.553 -1.711 0.522 1.00 0.27 C ATOM 723 OG1 THR A 52 4.496 -2.123 1.522 1.00 0.28 O ATOM 724 CG2 THR A 52 3.166 -2.904 -0.326 1.00 0.26 C ATOM 0 H THR A 52 5.755 -1.883 -0.678 1.00 0.20 H new ATOM 0 HA THR A 52 3.436 -0.355 -1.152 1.00 0.24 H new ATOM 0 HB THR A 52 2.661 -1.320 1.011 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.357 -1.684 1.360 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.757 -3.687 0.313 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.416 -2.603 -1.057 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.047 -3.283 -0.845 1.00 0.26 H new ATOM 732 N ASN A 53 5.562 0.872 0.968 1.00 0.25 N ATOM 733 CA ASN A 53 5.886 2.036 1.774 1.00 0.27 C ATOM 734 C ASN A 53 6.067 3.269 0.898 1.00 0.24 C ATOM 735 O ASN A 53 5.722 4.379 1.301 1.00 0.27 O ATOM 736 CB ASN A 53 7.143 1.788 2.601 1.00 0.34 C ATOM 737 CG ASN A 53 6.868 1.117 3.936 1.00 0.81 C ATOM 738 OD1 ASN A 53 7.694 0.360 4.442 1.00 1.59 O ATOM 739 ND2 ASN A 53 5.723 1.412 4.533 1.00 1.42 N ATOM 0 H ASN A 53 6.349 0.248 0.791 1.00 0.25 H new ATOM 0 HA ASN A 53 5.053 2.215 2.454 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.830 1.167 2.026 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.645 2.739 2.778 1.00 0.34 H new ATOM 0 HD21 ASN A 53 5.503 1.007 5.443 1.00 1.42 H new ATOM 0 HD22 ASN A 53 5.061 2.044 4.083 1.00 1.42 H new ATOM 746 N GLN A 54 6.607 3.069 -0.302 1.00 0.23 N ATOM 747 CA GLN A 54 6.708 4.149 -1.281 1.00 0.25 C ATOM 748 C GLN A 54 5.315 4.635 -1.617 1.00 0.25 C ATOM 749 O GLN A 54 5.046 5.833 -1.697 1.00 0.28 O ATOM 750 CB GLN A 54 7.338 3.666 -2.584 1.00 0.27 C ATOM 751 CG GLN A 54 8.466 2.682 -2.419 1.00 0.40 C ATOM 752 CD GLN A 54 8.966 2.182 -3.746 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.223 2.097 -4.721 1.00 1.27 O ATOM 754 NE2 GLN A 54 10.231 1.852 -3.795 1.00 1.34 N ATOM 0 H GLN A 54 6.980 2.174 -0.619 1.00 0.23 H new ATOM 0 HA GLN A 54 7.325 4.935 -0.846 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.562 3.207 -3.197 1.00 0.27 H new ATOM 0 HB3 GLN A 54 7.708 4.531 -3.134 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.285 3.154 -1.876 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.128 1.839 -1.816 1.00 0.40 H new ATOM 0 HE21 GLN A 54 10.813 1.938 -2.962 1.00 1.34 H new ATOM 0 HE22 GLN A 54 10.635 1.509 -4.666 1.00 1.34 H new ATOM 763 N ALA A 55 4.443 3.662 -1.823 1.00 0.24 N ATOM 764 CA ALA A 55 3.057 3.907 -2.153 1.00 0.25 C ATOM 765 C ALA A 55 2.375 4.740 -1.071 1.00 0.26 C ATOM 766 O ALA A 55 1.564 5.616 -1.367 1.00 0.30 O ATOM 767 CB ALA A 55 2.355 2.576 -2.343 1.00 0.24 C ATOM 0 H ALA A 55 4.684 2.673 -1.764 1.00 0.24 H new ATOM 0 HA ALA A 55 3.001 4.479 -3.079 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.308 2.749 -2.592 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.834 2.024 -3.152 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.417 1.997 -1.422 1.00 0.24 H new ATOM 773 N ALA A 56 2.734 4.474 0.182 1.00 0.26 N ATOM 774 CA ALA A 56 2.217 5.240 1.310 1.00 0.27 C ATOM 775 C ALA A 56 2.585 6.712 1.175 1.00 0.26 C ATOM 776 O ALA A 56 1.825 7.593 1.580 1.00 0.30 O ATOM 777 CB ALA A 56 2.749 4.687 2.623 1.00 0.29 C ATOM 0 H ALA A 56 3.383 3.731 0.441 1.00 0.26 H new ATOM 0 HA ALA A 56 1.131 5.151 1.309 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.351 5.272 3.452 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.440 3.647 2.732 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.837 4.744 2.628 1.00 0.29 H new ATOM 783 N VAL A 57 3.754 6.972 0.595 1.00 0.26 N ATOM 784 CA VAL A 57 4.191 8.337 0.356 1.00 0.27 C ATOM 785 C VAL A 57 3.296 9.004 -0.666 1.00 0.26 C ATOM 786 O VAL A 57 2.873 10.136 -0.477 1.00 0.30 O ATOM 787 CB VAL A 57 5.635 8.426 -0.158 1.00 0.28 C ATOM 788 CG1 VAL A 57 6.017 9.876 -0.346 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.600 7.735 0.781 1.00 0.30 C ATOM 0 H VAL A 57 4.411 6.256 0.284 1.00 0.26 H new ATOM 0 HA VAL A 57 4.136 8.840 1.321 1.00 0.27 H new ATOM 0 HB VAL A 57 5.693 7.912 -1.118 1.00 0.28 H new ATOM 0 HG11 VAL A 57 7.042 9.938 -0.711 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.346 10.338 -1.070 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.939 10.399 0.607 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.613 7.817 0.387 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.553 8.207 1.763 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.330 6.683 0.871 1.00 0.30 H new ATOM 799 N TYR A 58 3.017 8.297 -1.751 1.00 0.25 N ATOM 800 CA TYR A 58 2.144 8.817 -2.792 1.00 0.27 C ATOM 801 C TYR A 58 0.765 9.120 -2.224 1.00 0.28 C ATOM 802 O TYR A 58 0.144 10.112 -2.585 1.00 0.29 O ATOM 803 CB TYR A 58 2.035 7.831 -3.946 1.00 0.27 C ATOM 804 CG TYR A 58 3.263 7.772 -4.828 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.505 8.750 -5.781 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.189 6.745 -4.697 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.631 8.708 -6.576 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.319 6.696 -5.490 1.00 0.30 C ATOM 809 CZ TYR A 58 5.503 7.645 -6.469 1.00 0.33 C ATOM 810 OH TYR A 58 6.660 7.642 -7.217 1.00 0.37 O ATOM 0 H TYR A 58 3.382 7.362 -1.933 1.00 0.25 H new ATOM 0 HA TYR A 58 2.577 9.742 -3.171 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.843 6.837 -3.543 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.174 8.099 -4.558 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.799 9.559 -5.903 1.00 0.35 H new ATOM 0 HD2 TYR A 58 4.023 5.971 -3.962 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.829 9.504 -7.279 1.00 0.38 H new ATOM 0 HE2 TYR A 58 6.053 5.918 -5.342 1.00 0.30 H new ATOM 0 HH TYR A 58 7.169 6.826 -7.029 1.00 0.37 H new ATOM 820 N PHE A 59 0.313 8.266 -1.315 1.00 0.30 N ATOM 821 CA PHE A 59 -0.954 8.466 -0.621 1.00 0.32 C ATOM 822 C PHE A 59 -0.945 9.800 0.130 1.00 0.35 C ATOM 823 O PHE A 59 -1.917 10.554 0.098 1.00 0.42 O ATOM 824 CB PHE A 59 -1.180 7.308 0.342 1.00 0.33 C ATOM 825 CG PHE A 59 -2.587 7.193 0.853 1.00 0.35 C ATOM 826 CD1 PHE A 59 -2.975 7.875 1.994 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.520 6.413 0.192 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.267 7.781 2.468 1.00 0.56 C ATOM 829 CE2 PHE A 59 -4.815 6.313 0.661 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.188 6.965 1.794 1.00 0.47 C ATOM 0 H PHE A 59 0.810 7.420 -1.039 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.768 8.495 -1.346 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -0.911 6.378 -0.158 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.506 7.420 1.191 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.257 8.488 2.519 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.232 5.877 -0.700 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.566 8.330 3.349 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.536 5.713 0.125 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.193 6.855 2.175 1.00 0.47 H new ATOM 840 N GLU A 60 0.169 10.080 0.793 1.00 0.34 N ATOM 841 CA GLU A 60 0.364 11.352 1.484 1.00 0.37 C ATOM 842 C GLU A 60 0.533 12.487 0.485 1.00 0.35 C ATOM 843 O GLU A 60 0.071 13.607 0.701 1.00 0.41 O ATOM 844 CB GLU A 60 1.589 11.268 2.382 1.00 0.39 C ATOM 845 CG GLU A 60 1.390 10.363 3.579 1.00 0.44 C ATOM 846 CD GLU A 60 0.229 10.799 4.444 1.00 0.91 C ATOM 847 OE1 GLU A 60 0.407 11.733 5.253 1.00 1.42 O ATOM 848 OE2 GLU A 60 -0.864 10.212 4.319 1.00 1.07 O ATOM 0 H GLU A 60 0.959 9.439 0.868 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.518 11.555 2.092 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.435 10.906 1.798 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.846 12.269 2.730 1.00 0.39 H new ATOM 0 HG2 GLU A 60 1.221 9.343 3.235 1.00 0.44 H new ATOM 0 HG3 GLU A 60 2.301 10.351 4.177 1.00 0.44 H new ATOM 855 N LYS A 61 1.199 12.169 -0.610 1.00 0.32 N ATOM 856 CA LYS A 61 1.499 13.119 -1.665 1.00 0.33 C ATOM 857 C LYS A 61 0.244 13.543 -2.428 1.00 0.35 C ATOM 858 O LYS A 61 0.263 14.530 -3.165 1.00 0.40 O ATOM 859 CB LYS A 61 2.507 12.486 -2.616 1.00 0.33 C ATOM 860 CG LYS A 61 3.929 12.964 -2.392 1.00 0.48 C ATOM 861 CD LYS A 61 4.959 11.938 -2.842 1.00 0.49 C ATOM 862 CE LYS A 61 4.717 11.444 -4.259 1.00 0.36 C ATOM 863 NZ LYS A 61 4.616 12.560 -5.239 1.00 1.10 N ATOM 0 H LYS A 61 1.552 11.230 -0.794 1.00 0.32 H new ATOM 0 HA LYS A 61 1.915 14.020 -1.215 1.00 0.33 H new ATOM 0 HB2 LYS A 61 2.473 11.403 -2.501 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.215 12.707 -3.643 1.00 0.33 H new ATOM 0 HG2 LYS A 61 4.087 13.896 -2.934 1.00 0.48 H new ATOM 0 HG3 LYS A 61 4.075 13.182 -1.334 1.00 0.48 H new ATOM 0 HD2 LYS A 61 5.954 12.378 -2.780 1.00 0.49 H new ATOM 0 HD3 LYS A 61 4.943 11.089 -2.158 1.00 0.49 H new ATOM 0 HE2 LYS A 61 5.529 10.779 -4.553 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.799 10.857 -4.285 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 4.890 12.219 -6.183 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 3.637 12.909 -5.268 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 5.251 13.332 -4.952 1.00 1.10 H new ATOM 877 N GLY A 62 -0.839 12.790 -2.260 1.00 0.34 N ATOM 878 CA GLY A 62 -2.069 13.094 -2.961 1.00 0.36 C ATOM 879 C GLY A 62 -2.222 12.269 -4.224 1.00 0.33 C ATOM 880 O GLY A 62 -3.205 12.410 -4.955 1.00 0.35 O ATOM 0 H GLY A 62 -0.884 11.974 -1.650 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -2.917 12.909 -2.302 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.089 14.154 -3.216 1.00 0.36 H new ATOM 884 N ASP A 63 -1.253 11.400 -4.471 1.00 0.31 N ATOM 885 CA ASP A 63 -1.264 10.544 -5.650 1.00 0.30 C ATOM 886 C ASP A 63 -1.827 9.178 -5.284 1.00 0.27 C ATOM 887 O ASP A 63 -1.080 8.212 -5.098 1.00 0.32 O ATOM 888 CB ASP A 63 0.150 10.380 -6.216 1.00 0.32 C ATOM 889 CG ASP A 63 0.145 10.030 -7.690 1.00 0.84 C ATOM 890 OD1 ASP A 63 -0.549 9.071 -8.083 1.00 1.26 O ATOM 891 OD2 ASP A 63 0.845 10.718 -8.465 1.00 1.26 O ATOM 0 H ASP A 63 -0.443 11.268 -3.866 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.891 11.010 -6.410 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.708 11.305 -6.067 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.672 9.600 -5.662 1.00 0.32 H new ATOM 896 N TYR A 64 -3.144 9.102 -5.171 1.00 0.27 N ATOM 897 CA TYR A 64 -3.804 7.871 -4.764 1.00 0.28 C ATOM 898 C TYR A 64 -3.711 6.829 -5.865 1.00 0.29 C ATOM 899 O TYR A 64 -3.698 5.630 -5.597 1.00 0.34 O ATOM 900 CB TYR A 64 -5.264 8.146 -4.395 1.00 0.29 C ATOM 901 CG TYR A 64 -5.396 9.173 -3.298 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.140 8.841 -1.975 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.811 10.468 -3.582 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.284 9.771 -0.966 1.00 0.36 C ATOM 905 CE2 TYR A 64 -5.964 11.401 -2.580 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.580 11.076 -1.284 1.00 0.38 C ATOM 907 OH TYR A 64 -5.856 11.977 -0.270 1.00 0.43 O ATOM 0 H TYR A 64 -3.778 9.880 -5.356 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.297 7.479 -3.882 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.800 8.491 -5.279 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.737 7.217 -4.078 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.823 7.838 -1.731 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.017 10.748 -4.605 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.165 9.476 0.066 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.378 12.374 -2.799 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.045 12.857 -0.657 1.00 0.43 H new ATOM 917 N ASN A 65 -3.616 7.301 -7.101 1.00 0.31 N ATOM 918 CA ASN A 65 -3.456 6.424 -8.250 1.00 0.37 C ATOM 919 C ASN A 65 -2.152 5.644 -8.127 1.00 0.33 C ATOM 920 O ASN A 65 -2.139 4.420 -8.239 1.00 0.34 O ATOM 921 CB ASN A 65 -3.476 7.243 -9.544 1.00 0.47 C ATOM 922 CG ASN A 65 -3.466 6.394 -10.809 1.00 1.17 C ATOM 923 OD1 ASN A 65 -2.913 5.299 -10.848 1.00 1.66 O ATOM 924 ND2 ASN A 65 -4.094 6.898 -11.858 1.00 2.18 N ATOM 0 H ASN A 65 -3.647 8.294 -7.333 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.284 5.716 -8.279 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -4.364 7.875 -9.549 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -2.612 7.907 -9.556 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -4.129 6.374 -12.732 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -4.544 7.811 -11.793 1.00 2.18 H new ATOM 931 N LYS A 66 -1.059 6.351 -7.866 1.00 0.34 N ATOM 932 CA LYS A 66 0.238 5.709 -7.736 1.00 0.32 C ATOM 933 C LYS A 66 0.290 4.838 -6.493 1.00 0.31 C ATOM 934 O LYS A 66 0.903 3.770 -6.499 1.00 0.32 O ATOM 935 CB LYS A 66 1.354 6.728 -7.631 1.00 0.29 C ATOM 936 CG LYS A 66 2.721 6.111 -7.826 1.00 0.40 C ATOM 937 CD LYS A 66 2.940 5.662 -9.251 1.00 0.63 C ATOM 938 CE LYS A 66 4.340 5.113 -9.432 1.00 0.42 C ATOM 939 NZ LYS A 66 4.591 4.702 -10.836 1.00 0.68 N ATOM 0 H LYS A 66 -1.047 7.363 -7.741 1.00 0.34 H new ATOM 0 HA LYS A 66 0.374 5.102 -8.631 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.201 7.508 -8.377 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.312 7.209 -6.654 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.488 6.835 -7.552 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.833 5.259 -7.156 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.208 4.898 -9.513 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.783 6.500 -9.930 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.068 5.869 -9.138 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.484 4.258 -8.771 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.234 3.885 -10.849 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 3.691 4.441 -11.288 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 5.024 5.491 -11.357 1.00 0.68 H new ATOM 953 N CYS A 67 -0.329 5.317 -5.423 1.00 0.31 N ATOM 954 CA CYS A 67 -0.334 4.597 -4.162 1.00 0.32 C ATOM 955 C CYS A 67 -0.859 3.180 -4.357 1.00 0.36 C ATOM 956 O CYS A 67 -0.222 2.207 -3.956 1.00 0.39 O ATOM 957 CB CYS A 67 -1.178 5.339 -3.128 1.00 0.33 C ATOM 958 SG CYS A 67 -1.435 4.423 -1.593 1.00 1.29 S ATOM 0 H CYS A 67 -0.834 6.203 -5.405 1.00 0.31 H new ATOM 0 HA CYS A 67 0.691 4.538 -3.796 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.697 6.289 -2.896 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.148 5.572 -3.566 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.675 4.039 -1.519 1.00 1.29 H new ATOM 964 N ARG A 68 -2.009 3.062 -4.999 1.00 0.38 N ATOM 965 CA ARG A 68 -2.570 1.756 -5.280 1.00 0.45 C ATOM 966 C ARG A 68 -1.769 1.046 -6.367 1.00 0.42 C ATOM 967 O ARG A 68 -1.634 -0.174 -6.339 1.00 0.48 O ATOM 968 CB ARG A 68 -4.046 1.863 -5.666 1.00 0.60 C ATOM 969 CG ARG A 68 -4.357 2.921 -6.708 1.00 1.00 C ATOM 970 CD ARG A 68 -5.832 2.904 -7.053 1.00 1.21 C ATOM 971 NE ARG A 68 -6.235 3.986 -7.949 1.00 1.92 N ATOM 972 CZ ARG A 68 -6.111 3.951 -9.275 1.00 2.48 C ATOM 973 NH1 ARG A 68 -5.492 2.935 -9.872 1.00 2.64 N ATOM 974 NH2 ARG A 68 -6.616 4.941 -10.001 1.00 3.39 N ATOM 0 H ARG A 68 -2.567 3.848 -5.332 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.508 1.159 -4.370 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.380 0.895 -6.040 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -4.627 2.075 -4.769 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.076 3.905 -6.332 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -3.765 2.742 -7.605 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -6.077 1.949 -7.517 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -6.413 2.970 -6.133 1.00 1.21 H new ATOM 0 HE ARG A 68 -6.638 4.824 -7.531 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -5.107 2.173 -9.314 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -5.403 2.918 -10.888 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -7.093 5.718 -9.543 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -6.527 4.925 -11.017 1.00 3.39 H new ATOM 988 N GLU A 69 -1.216 1.826 -7.296 1.00 0.38 N ATOM 989 CA GLU A 69 -0.410 1.289 -8.391 1.00 0.37 C ATOM 990 C GLU A 69 0.759 0.463 -7.862 1.00 0.31 C ATOM 991 O GLU A 69 1.002 -0.660 -8.311 1.00 0.34 O ATOM 992 CB GLU A 69 0.121 2.428 -9.278 1.00 0.38 C ATOM 993 CG GLU A 69 0.898 1.931 -10.488 1.00 0.67 C ATOM 994 CD GLU A 69 1.227 3.028 -11.477 1.00 1.20 C ATOM 995 OE1 GLU A 69 0.323 3.456 -12.220 1.00 1.19 O ATOM 996 OE2 GLU A 69 2.393 3.476 -11.509 1.00 2.08 O ATOM 0 H GLU A 69 -1.313 2.841 -7.311 1.00 0.38 H new ATOM 0 HA GLU A 69 -1.052 0.639 -8.986 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.717 3.037 -9.617 1.00 0.38 H new ATOM 0 HB3 GLU A 69 0.764 3.075 -8.682 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.824 1.465 -10.151 1.00 0.67 H new ATOM 0 HG3 GLU A 69 0.318 1.158 -10.992 1.00 0.67 H new ATOM 1003 N LEU A 70 1.472 1.024 -6.900 1.00 0.24 N ATOM 1004 CA LEU A 70 2.659 0.383 -6.361 1.00 0.21 C ATOM 1005 C LEU A 70 2.313 -0.734 -5.382 1.00 0.22 C ATOM 1006 O LEU A 70 3.033 -1.722 -5.296 1.00 0.23 O ATOM 1007 CB LEU A 70 3.552 1.411 -5.672 1.00 0.20 C ATOM 1008 CG LEU A 70 4.266 2.399 -6.596 1.00 0.21 C ATOM 1009 CD1 LEU A 70 5.087 3.367 -5.771 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.153 1.663 -7.591 1.00 0.24 C ATOM 0 H LEU A 70 1.249 1.924 -6.476 1.00 0.24 H new ATOM 0 HA LEU A 70 3.193 -0.062 -7.201 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.944 1.977 -4.966 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.304 0.879 -5.090 1.00 0.20 H new ATOM 0 HG LEU A 70 3.518 2.956 -7.160 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.594 4.069 -6.432 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.432 3.915 -5.094 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.827 2.815 -5.192 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.651 2.385 -8.238 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.901 1.083 -7.051 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.542 0.994 -8.197 1.00 0.24 H new ATOM 1022 N CYS A 71 1.220 -0.585 -4.647 1.00 0.24 N ATOM 1023 CA CYS A 71 0.844 -1.587 -3.653 1.00 0.25 C ATOM 1024 C CYS A 71 0.561 -2.940 -4.300 1.00 0.24 C ATOM 1025 O CYS A 71 1.060 -3.961 -3.833 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.351 -1.119 -2.831 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.003 0.283 -1.746 1.00 1.10 S ATOM 0 H CYS A 71 0.583 0.209 -4.716 1.00 0.24 H new ATOM 0 HA CYS A 71 1.692 -1.714 -2.980 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.160 -0.847 -3.509 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.709 -1.952 -2.226 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.164 1.392 -2.405 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.217 -2.956 -5.377 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.480 -4.205 -6.088 1.00 0.26 C ATOM 1035 C GLU A 72 0.798 -4.725 -6.739 1.00 0.23 C ATOM 1036 O GLU A 72 1.021 -5.925 -6.786 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.592 -4.036 -7.126 1.00 0.34 C ATOM 1038 CG GLU A 72 -1.543 -2.723 -7.881 1.00 0.87 C ATOM 1039 CD GLU A 72 -2.493 -2.691 -9.055 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -3.700 -2.442 -8.843 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -2.041 -2.904 -10.198 1.00 1.68 O ATOM 0 H GLU A 72 -0.671 -2.133 -5.773 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.823 -4.940 -5.360 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.533 -4.856 -7.842 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -2.557 -4.118 -6.625 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -1.786 -1.907 -7.200 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -0.527 -2.550 -8.236 1.00 0.87 H new ATOM 1048 N LYS A 73 1.642 -3.811 -7.212 1.00 0.23 N ATOM 1049 CA LYS A 73 2.960 -4.172 -7.735 1.00 0.23 C ATOM 1050 C LYS A 73 3.753 -4.913 -6.665 1.00 0.20 C ATOM 1051 O LYS A 73 4.313 -5.978 -6.917 1.00 0.21 O ATOM 1052 CB LYS A 73 3.721 -2.913 -8.182 1.00 0.27 C ATOM 1053 CG LYS A 73 5.228 -3.104 -8.367 1.00 0.33 C ATOM 1054 CD LYS A 73 5.612 -3.594 -9.761 1.00 0.57 C ATOM 1055 CE LYS A 73 5.104 -4.996 -10.053 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.679 -5.538 -11.313 1.00 1.23 N ATOM 0 H LYS A 73 1.437 -2.812 -7.244 1.00 0.23 H new ATOM 0 HA LYS A 73 2.831 -4.823 -8.599 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.295 -2.564 -9.123 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.557 -2.126 -7.446 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.733 -2.158 -8.171 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.590 -3.818 -7.627 1.00 0.33 H new ATOM 0 HD2 LYS A 73 5.213 -2.905 -10.506 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.697 -3.578 -9.861 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.359 -5.656 -9.223 1.00 0.60 H new ATOM 0 HE3 LYS A 73 4.017 -4.981 -10.126 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 5.310 -6.496 -11.479 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 5.415 -4.922 -12.108 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 6.715 -5.576 -11.234 1.00 1.23 H new ATOM 1070 N ALA A 74 3.782 -4.338 -5.470 1.00 0.19 N ATOM 1071 CA ALA A 74 4.444 -4.952 -4.332 1.00 0.17 C ATOM 1072 C ALA A 74 3.824 -6.298 -4.022 1.00 0.16 C ATOM 1073 O ALA A 74 4.525 -7.251 -3.710 1.00 0.16 O ATOM 1074 CB ALA A 74 4.360 -4.043 -3.120 1.00 0.18 C ATOM 0 H ALA A 74 3.349 -3.437 -5.265 1.00 0.19 H new ATOM 0 HA ALA A 74 5.494 -5.103 -4.583 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.860 -4.516 -2.275 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.845 -3.093 -3.343 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.314 -3.866 -2.870 1.00 0.18 H new ATOM 1080 N ILE A 75 2.507 -6.375 -4.114 1.00 0.16 N ATOM 1081 CA ILE A 75 1.808 -7.625 -3.875 1.00 0.16 C ATOM 1082 C ILE A 75 2.182 -8.661 -4.918 1.00 0.17 C ATOM 1083 O ILE A 75 2.370 -9.822 -4.587 1.00 0.18 O ATOM 1084 CB ILE A 75 0.284 -7.446 -3.865 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.128 -6.553 -2.702 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.406 -8.800 -3.769 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.619 -6.356 -2.597 1.00 0.23 C ATOM 0 H ILE A 75 1.902 -5.589 -4.352 1.00 0.16 H new ATOM 0 HA ILE A 75 2.117 -7.969 -2.888 1.00 0.16 H new ATOM 0 HB ILE A 75 -0.022 -6.970 -4.796 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.240 -6.987 -1.772 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.353 -5.581 -2.812 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.487 -8.658 -3.763 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.125 -9.413 -4.626 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.100 -9.300 -2.850 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.842 -5.710 -1.748 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -1.990 -5.894 -3.512 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.105 -7.322 -2.456 1.00 0.23 H new ATOM 1099 N GLU A 76 2.296 -8.244 -6.170 1.00 0.18 N ATOM 1100 CA GLU A 76 2.710 -9.157 -7.227 1.00 0.21 C ATOM 1101 C GLU A 76 4.113 -9.681 -6.939 1.00 0.20 C ATOM 1102 O GLU A 76 4.430 -10.839 -7.207 1.00 0.24 O ATOM 1103 CB GLU A 76 2.683 -8.462 -8.590 1.00 0.24 C ATOM 1104 CG GLU A 76 1.318 -7.907 -8.971 1.00 0.77 C ATOM 1105 CD GLU A 76 0.235 -8.964 -8.981 1.00 1.47 C ATOM 1106 OE1 GLU A 76 0.034 -9.606 -10.035 1.00 2.35 O ATOM 1107 OE2 GLU A 76 -0.423 -9.162 -7.940 1.00 1.62 O ATOM 0 H GLU A 76 2.110 -7.290 -6.478 1.00 0.18 H new ATOM 0 HA GLU A 76 2.010 -9.992 -7.254 1.00 0.21 H new ATOM 0 HB2 GLU A 76 3.408 -7.648 -8.586 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.003 -9.170 -9.355 1.00 0.24 H new ATOM 0 HG2 GLU A 76 1.043 -7.119 -8.270 1.00 0.77 H new ATOM 0 HG3 GLU A 76 1.380 -7.448 -9.958 1.00 0.77 H new ATOM 1114 N VAL A 77 4.934 -8.812 -6.374 1.00 0.21 N ATOM 1115 CA VAL A 77 6.292 -9.153 -5.974 1.00 0.22 C ATOM 1116 C VAL A 77 6.295 -10.068 -4.745 1.00 0.21 C ATOM 1117 O VAL A 77 7.035 -11.051 -4.684 1.00 0.24 O ATOM 1118 CB VAL A 77 7.085 -7.861 -5.673 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.420 -8.163 -5.021 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.286 -7.054 -6.947 1.00 0.25 C ATOM 0 H VAL A 77 4.677 -7.844 -6.178 1.00 0.21 H new ATOM 0 HA VAL A 77 6.767 -9.691 -6.795 1.00 0.22 H new ATOM 0 HB VAL A 77 6.500 -7.270 -4.968 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.948 -7.230 -4.825 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.255 -8.691 -4.082 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.018 -8.785 -5.687 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.846 -6.147 -6.719 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.841 -7.650 -7.672 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.316 -6.786 -7.365 1.00 0.25 H new ATOM 1130 N GLY A 78 5.454 -9.749 -3.774 1.00 0.19 N ATOM 1131 CA GLY A 78 5.361 -10.558 -2.577 1.00 0.21 C ATOM 1132 C GLY A 78 4.717 -11.897 -2.853 1.00 0.21 C ATOM 1133 O GLY A 78 5.086 -12.906 -2.267 1.00 0.27 O ATOM 0 H GLY A 78 4.832 -8.941 -3.794 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.358 -10.712 -2.164 1.00 0.21 H new ATOM 0 HA3 GLY A 78 4.783 -10.025 -1.822 1.00 0.21 H new ATOM 1137 N ARG A 79 3.756 -11.901 -3.757 1.00 0.21 N ATOM 1138 CA ARG A 79 3.112 -13.126 -4.199 1.00 0.28 C ATOM 1139 C ARG A 79 4.139 -13.987 -4.920 1.00 0.28 C ATOM 1140 O ARG A 79 4.198 -15.205 -4.743 1.00 0.33 O ATOM 1141 CB ARG A 79 1.954 -12.788 -5.141 1.00 0.39 C ATOM 1142 CG ARG A 79 0.999 -13.939 -5.373 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.066 -13.981 -4.296 1.00 0.89 C ATOM 1144 NE ARG A 79 -0.918 -15.162 -4.412 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.048 -15.330 -3.729 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -2.442 -14.399 -2.869 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -2.779 -16.424 -3.907 1.00 2.63 N ATOM 0 H ARG A 79 3.399 -11.057 -4.206 1.00 0.21 H new ATOM 0 HA ARG A 79 2.717 -13.670 -3.341 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.399 -11.944 -4.731 1.00 0.39 H new ATOM 0 HB3 ARG A 79 2.360 -12.466 -6.100 1.00 0.39 H new ATOM 0 HG2 ARG A 79 0.529 -13.836 -6.351 1.00 0.81 H new ATOM 0 HG3 ARG A 79 1.551 -14.879 -5.382 1.00 0.81 H new ATOM 0 HD2 ARG A 79 0.410 -13.973 -3.315 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.681 -13.083 -4.359 1.00 0.89 H new ATOM 0 HE ARG A 79 -0.630 -15.901 -5.054 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -1.880 -13.559 -2.734 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -3.307 -14.524 -2.343 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -2.475 -17.138 -4.569 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -3.644 -16.550 -3.382 1.00 2.63 H new ATOM 1161 N GLU A 80 4.960 -13.311 -5.714 1.00 0.27 N ATOM 1162 CA GLU A 80 6.060 -13.925 -6.440 1.00 0.32 C ATOM 1163 C GLU A 80 6.998 -14.688 -5.508 1.00 0.31 C ATOM 1164 O GLU A 80 7.263 -15.874 -5.707 1.00 0.37 O ATOM 1165 CB GLU A 80 6.844 -12.821 -7.161 1.00 0.36 C ATOM 1166 CG GLU A 80 8.276 -13.189 -7.500 1.00 0.57 C ATOM 1167 CD GLU A 80 8.980 -12.101 -8.279 1.00 1.18 C ATOM 1168 OE1 GLU A 80 8.802 -12.038 -9.517 1.00 1.22 O ATOM 1169 OE2 GLU A 80 9.719 -11.307 -7.666 1.00 1.96 O ATOM 0 H GLU A 80 4.878 -12.307 -5.873 1.00 0.27 H new ATOM 0 HA GLU A 80 5.649 -14.640 -7.153 1.00 0.32 H new ATOM 0 HB2 GLU A 80 6.321 -12.562 -8.081 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.849 -11.928 -6.536 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.825 -13.387 -6.580 1.00 0.57 H new ATOM 0 HG3 GLU A 80 8.284 -14.111 -8.081 1.00 0.57 H new ATOM 1176 N ASN A 81 7.476 -14.000 -4.487 1.00 0.29 N ATOM 1177 CA ASN A 81 8.550 -14.516 -3.650 1.00 0.35 C ATOM 1178 C ASN A 81 8.016 -15.093 -2.337 1.00 0.35 C ATOM 1179 O ASN A 81 8.777 -15.509 -1.464 1.00 0.49 O ATOM 1180 CB ASN A 81 9.557 -13.382 -3.411 1.00 0.40 C ATOM 1181 CG ASN A 81 10.789 -13.795 -2.620 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.760 -14.296 -3.183 1.00 1.35 O ATOM 1183 ND2 ASN A 81 10.774 -13.557 -1.317 1.00 1.13 N ATOM 0 H ASN A 81 7.137 -13.077 -4.214 1.00 0.29 H new ATOM 0 HA ASN A 81 9.047 -15.343 -4.157 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.875 -12.985 -4.375 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.055 -12.572 -2.882 1.00 0.40 H new ATOM 0 HD21 ASN A 81 11.587 -13.791 -0.746 1.00 1.13 H new ATOM 0 HD22 ASN A 81 9.950 -13.140 -0.884 1.00 1.13 H new ATOM 1190 N ARG A 82 6.690 -15.142 -2.225 1.00 0.32 N ATOM 1191 CA ARG A 82 6.014 -15.670 -1.038 1.00 0.37 C ATOM 1192 C ARG A 82 6.352 -14.844 0.199 1.00 0.32 C ATOM 1193 O ARG A 82 6.717 -15.378 1.248 1.00 0.38 O ATOM 1194 CB ARG A 82 6.366 -17.144 -0.811 1.00 0.47 C ATOM 1195 CG ARG A 82 5.895 -18.064 -1.924 1.00 1.04 C ATOM 1196 CD ARG A 82 4.381 -18.027 -2.075 1.00 1.99 C ATOM 1197 NE ARG A 82 3.697 -18.329 -0.818 1.00 2.83 N ATOM 1198 CZ ARG A 82 2.384 -18.186 -0.624 1.00 3.77 C ATOM 1199 NH1 ARG A 82 1.598 -17.782 -1.617 1.00 4.01 N ATOM 1200 NH2 ARG A 82 1.857 -18.455 0.562 1.00 4.67 N ATOM 0 H ARG A 82 6.053 -14.818 -2.953 1.00 0.32 H new ATOM 0 HA ARG A 82 4.940 -15.600 -1.213 1.00 0.37 H new ATOM 0 HB2 ARG A 82 7.447 -17.238 -0.707 1.00 0.47 H new ATOM 0 HB3 ARG A 82 5.926 -17.472 0.130 1.00 0.47 H new ATOM 0 HG2 ARG A 82 6.363 -17.769 -2.863 1.00 1.04 H new ATOM 0 HG3 ARG A 82 6.216 -19.084 -1.714 1.00 1.04 H new ATOM 0 HD2 ARG A 82 4.076 -17.041 -2.426 1.00 1.99 H new ATOM 0 HD3 ARG A 82 4.075 -18.745 -2.836 1.00 1.99 H new ATOM 0 HE ARG A 82 4.260 -18.671 -0.039 1.00 2.83 H new ATOM 0 HH11 ARG A 82 1.997 -17.579 -2.533 1.00 4.01 H new ATOM 0 HH12 ARG A 82 0.595 -17.675 -1.463 1.00 4.01 H new ATOM 0 HH21 ARG A 82 2.455 -18.771 1.326 1.00 4.67 H new ATOM 0 HH22 ARG A 82 0.854 -18.346 0.711 1.00 4.67 H new ATOM 1214 N GLU A 83 6.215 -13.537 0.057 1.00 0.27 N ATOM 1215 CA GLU A 83 6.473 -12.603 1.139 1.00 0.27 C ATOM 1216 C GLU A 83 5.254 -12.520 2.059 1.00 0.25 C ATOM 1217 O GLU A 83 4.181 -13.015 1.706 1.00 0.25 O ATOM 1218 CB GLU A 83 6.818 -11.224 0.554 1.00 0.28 C ATOM 1219 CG GLU A 83 7.180 -10.171 1.591 1.00 0.43 C ATOM 1220 CD GLU A 83 8.367 -10.564 2.444 1.00 0.94 C ATOM 1221 OE1 GLU A 83 8.225 -11.474 3.285 1.00 1.60 O ATOM 1222 OE2 GLU A 83 9.450 -9.973 2.271 1.00 1.15 O ATOM 0 H GLU A 83 5.921 -13.093 -0.813 1.00 0.27 H new ATOM 0 HA GLU A 83 7.320 -12.951 1.730 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.652 -11.336 -0.138 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.968 -10.867 -0.027 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.399 -9.231 1.085 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.319 -9.993 2.236 1.00 0.43 H new ATOM 1229 N ASP A 84 5.444 -11.922 3.235 1.00 0.26 N ATOM 1230 CA ASP A 84 4.384 -11.747 4.234 1.00 0.26 C ATOM 1231 C ASP A 84 3.057 -11.337 3.593 1.00 0.25 C ATOM 1232 O ASP A 84 2.905 -10.212 3.115 1.00 0.26 O ATOM 1233 CB ASP A 84 4.808 -10.696 5.264 1.00 0.29 C ATOM 1234 CG ASP A 84 3.862 -10.625 6.447 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.821 -11.588 7.244 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.156 -9.614 6.588 1.00 0.68 O ATOM 0 H ASP A 84 6.345 -11.541 3.526 1.00 0.26 H new ATOM 0 HA ASP A 84 4.232 -12.708 4.726 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.812 -10.926 5.620 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.856 -9.719 4.783 1.00 0.29 H new ATOM 1241 N TYR A 85 2.100 -12.261 3.585 1.00 0.26 N ATOM 1242 CA TYR A 85 0.800 -12.015 2.968 1.00 0.26 C ATOM 1243 C TYR A 85 -0.021 -11.060 3.822 1.00 0.27 C ATOM 1244 O TYR A 85 -0.958 -10.424 3.345 1.00 0.26 O ATOM 1245 CB TYR A 85 0.034 -13.326 2.762 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.299 -14.047 4.052 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.333 -13.605 4.868 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.424 -15.159 4.457 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.636 -14.246 6.049 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.126 -15.811 5.638 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.905 -15.349 6.431 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.205 -15.987 7.613 1.00 0.44 O ATOM 0 H TYR A 85 2.201 -13.188 3.999 1.00 0.26 H new ATOM 0 HA TYR A 85 0.971 -11.560 1.993 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.891 -13.115 2.225 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.627 -13.987 2.129 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.910 -12.742 4.571 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.233 -15.521 3.839 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.442 -13.886 6.672 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.696 -16.677 5.939 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.599 -16.747 7.738 1.00 0.44 H new ATOM 1262 N ARG A 86 0.327 -10.984 5.099 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.328 -10.067 6.013 1.00 0.33 C ATOM 1264 C ARG A 86 -0.045 -8.643 5.563 1.00 0.32 C ATOM 1265 O ARG A 86 -0.943 -7.803 5.488 1.00 0.32 O ATOM 1266 CB ARG A 86 0.172 -10.295 7.424 1.00 0.40 C ATOM 1267 CG ARG A 86 0.088 -11.742 7.854 1.00 0.44 C ATOM 1268 CD ARG A 86 0.572 -11.900 9.270 1.00 0.55 C ATOM 1269 NE ARG A 86 1.995 -11.581 9.394 1.00 1.57 N ATOM 1270 CZ ARG A 86 2.598 -11.293 10.545 1.00 1.98 C ATOM 1271 NH1 ARG A 86 1.909 -11.275 11.677 1.00 1.57 N ATOM 1272 NH2 ARG A 86 3.894 -11.020 10.561 1.00 3.04 N ATOM 0 H ARG A 86 1.062 -11.550 5.524 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.404 -10.239 6.006 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.207 -9.960 7.495 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.410 -9.683 8.113 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -0.941 -12.092 7.774 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.688 -12.361 7.187 1.00 0.44 H new ATOM 0 HD2 ARG A 86 -0.005 -11.249 9.927 1.00 0.55 H new ATOM 0 HD3 ARG A 86 0.398 -12.924 9.602 1.00 0.55 H new ATOM 0 HE ARG A 86 2.560 -11.579 8.545 1.00 1.57 H new ATOM 0 HH11 ARG A 86 0.910 -11.483 11.670 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.377 -11.054 12.556 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.428 -11.031 9.692 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.358 -10.799 11.442 1.00 3.04 H new ATOM 1286 N GLN A 87 1.222 -8.410 5.254 1.00 0.33 N ATOM 1287 CA GLN A 87 1.690 -7.176 4.643 1.00 0.33 C ATOM 1288 C GLN A 87 0.971 -6.935 3.316 1.00 0.28 C ATOM 1289 O GLN A 87 0.575 -5.814 3.005 1.00 0.28 O ATOM 1290 CB GLN A 87 3.200 -7.297 4.421 1.00 0.39 C ATOM 1291 CG GLN A 87 3.879 -6.045 3.910 1.00 0.49 C ATOM 1292 CD GLN A 87 3.808 -4.891 4.892 1.00 0.57 C ATOM 1293 OE1 GLN A 87 3.789 -5.092 6.109 1.00 1.14 O ATOM 1294 NE2 GLN A 87 3.768 -3.672 4.374 1.00 1.46 N ATOM 0 H GLN A 87 1.967 -9.086 5.424 1.00 0.33 H new ATOM 0 HA GLN A 87 1.477 -6.329 5.295 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.667 -7.586 5.362 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.383 -8.105 3.713 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.924 -6.267 3.694 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.416 -5.745 2.970 1.00 0.49 H new ATOM 0 HE21 GLN A 87 3.786 -3.547 3.362 1.00 1.46 H new ATOM 0 HE22 GLN A 87 3.720 -2.859 4.987 1.00 1.46 H new ATOM 1303 N ILE A 88 0.804 -8.009 2.549 1.00 0.25 N ATOM 1304 CA ILE A 88 0.059 -7.967 1.293 1.00 0.22 C ATOM 1305 C ILE A 88 -1.375 -7.493 1.513 1.00 0.20 C ATOM 1306 O ILE A 88 -1.902 -6.701 0.735 1.00 0.20 O ATOM 1307 CB ILE A 88 0.065 -9.350 0.600 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.365 -9.523 -0.168 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.130 -9.525 -0.320 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.543 -10.883 -0.790 1.00 0.23 C ATOM 0 H ILE A 88 1.179 -8.929 2.779 1.00 0.25 H new ATOM 0 HA ILE A 88 0.558 -7.250 0.642 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.010 -10.120 1.368 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.412 -8.769 -0.953 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.200 -9.333 0.507 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.089 -10.509 -0.787 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.050 -9.436 0.258 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.111 -8.756 -1.092 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.496 -10.920 -1.318 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.531 -11.644 -0.010 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.731 -11.071 -1.493 1.00 0.23 H new ATOM 1322 N ALA A 89 -2.000 -7.970 2.576 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.349 -7.547 2.909 1.00 0.21 C ATOM 1324 C ALA A 89 -3.374 -6.066 3.252 1.00 0.22 C ATOM 1325 O ALA A 89 -4.319 -5.354 2.915 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.892 -8.365 4.060 1.00 0.24 C ATOM 0 H ALA A 89 -1.596 -8.649 3.222 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.985 -7.710 2.039 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.904 -8.034 4.296 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.910 -9.418 3.781 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.254 -8.232 4.934 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.326 -5.599 3.915 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.210 -4.185 4.240 1.00 0.27 C ATOM 1334 C LYS A 90 -2.023 -3.386 2.960 1.00 0.24 C ATOM 1335 O LYS A 90 -2.516 -2.265 2.833 1.00 0.26 O ATOM 1336 CB LYS A 90 -1.047 -3.937 5.204 1.00 0.33 C ATOM 1337 CG LYS A 90 -1.068 -4.838 6.432 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.413 -4.807 7.147 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.684 -3.455 7.796 1.00 0.67 C ATOM 1340 NZ LYS A 90 -1.789 -3.208 8.957 1.00 1.26 N ATOM 0 H LYS A 90 -1.548 -6.175 4.237 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.125 -3.861 4.736 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.107 -4.085 4.672 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -1.070 -2.896 5.527 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.841 -5.861 6.133 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.284 -4.526 7.122 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.207 -5.033 6.435 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.436 -5.586 7.909 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -2.548 -2.664 7.058 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -3.723 -3.411 8.123 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -2.113 -2.364 9.472 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -1.810 -4.031 9.593 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -0.817 -3.056 8.620 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.317 -3.986 2.008 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.184 -3.418 0.679 1.00 0.22 C ATOM 1356 C ALA A 91 -2.545 -3.337 0.006 1.00 0.19 C ATOM 1357 O ALA A 91 -2.900 -2.309 -0.554 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.214 -4.237 -0.163 1.00 0.22 C ATOM 0 H ALA A 91 -0.827 -4.871 2.137 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.781 -2.409 0.771 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.129 -3.794 -1.155 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.765 -4.246 0.315 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.583 -5.259 -0.253 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.313 -4.421 0.088 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.665 -4.450 -0.461 1.00 0.16 C ATOM 1366 C TYR A 92 -5.532 -3.370 0.150 1.00 0.16 C ATOM 1367 O TYR A 92 -6.257 -2.672 -0.556 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.333 -5.800 -0.223 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.986 -6.852 -1.244 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.390 -6.725 -2.559 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.241 -7.966 -0.888 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -5.070 -7.682 -3.497 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.910 -8.931 -1.819 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.364 -8.795 -3.128 1.00 0.21 C ATOM 1375 OH TYR A 92 -4.002 -9.747 -4.056 1.00 0.24 O ATOM 0 H TYR A 92 -3.021 -5.292 0.530 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.568 -4.276 -1.533 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -5.051 -6.163 0.765 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.414 -5.661 -0.215 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.966 -5.861 -2.857 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -3.914 -8.081 0.135 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.377 -7.554 -4.525 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.307 -9.780 -1.535 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.505 -10.465 -3.611 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.453 -3.239 1.463 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.242 -2.249 2.166 1.00 0.21 C ATOM 1387 C ALA A 93 -5.848 -0.848 1.730 1.00 0.23 C ATOM 1388 O ALA A 93 -6.690 0.036 1.627 1.00 0.26 O ATOM 1389 CB ALA A 93 -6.084 -2.407 3.670 1.00 0.25 C ATOM 0 H ALA A 93 -4.851 -3.806 2.061 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.291 -2.405 1.916 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.685 -1.654 4.180 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.418 -3.401 3.969 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -5.036 -2.280 3.941 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.565 -0.661 1.458 1.00 0.24 N ATOM 1396 CA ARG A 94 -4.058 0.622 1.000 1.00 0.27 C ATOM 1397 C ARG A 94 -4.468 0.869 -0.449 1.00 0.24 C ATOM 1398 O ARG A 94 -4.805 1.992 -0.818 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.539 0.670 1.158 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.923 2.020 0.836 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.525 2.132 1.422 1.00 0.53 C ATOM 1402 NE ARG A 94 -0.555 1.988 2.876 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.456 1.538 3.615 1.00 0.69 C ATOM 1404 NH1 ARG A 94 1.613 1.202 3.056 1.00 1.50 N ATOM 1405 NH2 ARG A 94 0.302 1.425 4.925 1.00 0.88 N ATOM 0 H ARG A 94 -3.853 -1.386 1.547 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.491 1.414 1.610 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.283 0.401 2.183 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.093 -0.084 0.510 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -1.881 2.156 -0.245 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.553 2.816 1.233 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.117 1.365 0.990 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.092 3.096 1.157 1.00 0.53 H new ATOM 0 HE ARG A 94 -1.413 2.252 3.360 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.736 1.287 2.047 1.00 1.50 H new ATOM 0 HH12 ARG A 94 2.379 0.859 3.636 1.00 1.50 H new ATOM 0 HH21 ARG A 94 -0.585 1.682 5.358 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.070 1.081 5.501 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.450 -0.185 -1.261 1.00 0.21 N ATOM 1420 CA ILE A 95 -4.951 -0.107 -2.629 1.00 0.21 C ATOM 1421 C ILE A 95 -6.409 0.322 -2.610 1.00 0.20 C ATOM 1422 O ILE A 95 -6.791 1.310 -3.239 1.00 0.24 O ATOM 1423 CB ILE A 95 -4.846 -1.465 -3.365 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.397 -1.911 -3.447 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.426 -1.368 -4.766 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.220 -3.292 -4.031 1.00 0.22 C ATOM 0 H ILE A 95 -4.094 -1.103 -0.995 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.337 0.620 -3.161 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.418 -2.199 -2.797 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -2.840 -1.196 -4.052 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -2.962 -1.890 -2.448 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.341 -2.334 -5.263 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.476 -1.082 -4.706 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -4.878 -0.618 -5.336 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.159 -3.542 -4.058 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.749 -4.018 -3.414 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.624 -3.314 -5.043 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.203 -0.423 -1.851 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.607 -0.127 -1.726 1.00 0.18 C ATOM 1440 C GLY A 96 -8.852 1.243 -1.139 1.00 0.20 C ATOM 1441 O GLY A 96 -9.756 1.947 -1.569 1.00 0.23 O ATOM 0 H GLY A 96 -6.890 -1.234 -1.317 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.078 -0.190 -2.707 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.081 -0.880 -1.096 1.00 0.18 H new ATOM 1445 N ASN A 97 -8.034 1.634 -0.170 1.00 0.20 N ATOM 1446 CA ASN A 97 -8.219 2.914 0.499 1.00 0.25 C ATOM 1447 C ASN A 97 -7.834 4.070 -0.418 1.00 0.25 C ATOM 1448 O ASN A 97 -8.360 5.171 -0.292 1.00 0.27 O ATOM 1449 CB ASN A 97 -7.426 2.975 1.804 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.931 4.061 2.736 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -7.433 5.184 2.739 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -8.940 3.732 3.530 1.00 1.64 N ATOM 0 H ASN A 97 -7.242 1.087 0.168 1.00 0.20 H new ATOM 0 HA ASN A 97 -9.277 3.010 0.743 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -7.486 2.010 2.308 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.374 3.153 1.579 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -9.329 4.422 4.172 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -9.327 2.789 3.499 1.00 1.64 H new ATOM 1459 N SER A 98 -6.928 3.817 -1.351 1.00 0.26 N ATOM 1460 CA SER A 98 -6.584 4.812 -2.358 1.00 0.29 C ATOM 1461 C SER A 98 -7.795 5.070 -3.253 1.00 0.29 C ATOM 1462 O SER A 98 -8.148 6.217 -3.530 1.00 0.32 O ATOM 1463 CB SER A 98 -5.398 4.329 -3.185 1.00 0.32 C ATOM 1464 OG SER A 98 -4.284 4.050 -2.355 1.00 0.94 O ATOM 0 H SER A 98 -6.420 2.936 -1.432 1.00 0.26 H new ATOM 0 HA SER A 98 -6.303 5.744 -1.868 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.677 3.433 -3.740 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.128 5.088 -3.920 1.00 0.32 H new ATOM 0 HG SER A 98 -4.481 3.271 -1.794 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.434 3.983 -3.676 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.702 4.056 -4.390 1.00 0.29 C ATOM 1472 C TYR A 99 -10.746 4.749 -3.515 1.00 0.28 C ATOM 1473 O TYR A 99 -11.493 5.608 -3.971 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.186 2.647 -4.735 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.405 1.959 -5.832 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.442 2.428 -7.135 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.660 0.816 -5.572 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.762 1.787 -8.149 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -7.970 0.171 -6.579 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.024 0.657 -7.865 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.338 0.012 -8.868 1.00 0.43 O ATOM 0 H TYR A 99 -8.089 3.034 -3.534 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.560 4.625 -5.309 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.141 2.032 -3.836 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.233 2.700 -5.033 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.016 3.315 -7.361 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.620 0.425 -4.566 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.807 2.167 -9.159 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.390 -0.712 -6.358 1.00 0.32 H new ATOM 0 HH TYR A 99 -6.870 -0.765 -8.497 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.766 4.354 -2.249 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.668 4.905 -1.240 1.00 0.27 C ATOM 1493 C PHE A 100 -11.568 6.431 -1.189 1.00 0.32 C ATOM 1494 O PHE A 100 -12.580 7.130 -1.183 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.289 4.287 0.108 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.214 4.557 1.260 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.449 3.932 1.342 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.872 5.481 2.228 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.317 4.219 2.378 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.740 5.778 3.261 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.884 4.967 3.443 1.00 0.37 C ATOM 0 H PHE A 100 -10.146 3.630 -1.886 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.702 4.664 -1.488 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.214 3.207 -0.022 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.296 4.645 0.379 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.735 3.213 0.588 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.914 5.977 2.177 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.334 3.855 2.349 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.548 6.614 3.917 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.401 4.938 4.391 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.341 6.940 -1.177 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.115 8.381 -1.150 1.00 0.38 C ATOM 1513 C LYS A 101 -10.528 9.022 -2.470 1.00 0.41 C ATOM 1514 O LYS A 101 -11.013 10.152 -2.494 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.639 8.703 -0.886 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.068 8.076 0.376 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.839 8.481 1.623 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.675 9.961 1.925 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.422 10.367 3.143 1.00 0.74 N ATOM 0 H LYS A 101 -9.490 6.378 -1.186 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.724 8.786 -0.342 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.050 8.369 -1.740 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.523 9.785 -0.822 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.084 6.990 0.279 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.024 8.371 0.485 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -9.896 8.251 1.489 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.491 7.895 2.473 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.617 10.189 2.056 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -9.024 10.545 1.074 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.283 11.384 3.313 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.435 10.174 3.010 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -9.072 9.828 3.961 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.349 8.291 -3.562 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.564 8.848 -4.887 1.00 0.40 C ATOM 1535 C GLU A 102 -12.017 8.656 -5.338 1.00 0.39 C ATOM 1536 O GLU A 102 -12.369 8.953 -6.487 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.585 8.223 -5.880 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.088 6.981 -6.585 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.089 6.471 -7.606 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.077 7.002 -8.740 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.306 5.561 -7.282 1.00 0.45 O ATOM 0 H GLU A 102 -10.056 7.314 -3.555 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.378 9.921 -4.849 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.328 8.969 -6.632 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.665 7.974 -5.351 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.287 6.201 -5.850 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.034 7.202 -7.080 1.00 0.38 H new ATOM 1548 N GLU A 103 -12.843 8.146 -4.416 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.282 7.945 -4.633 1.00 0.35 C ATOM 1550 C GLU A 103 -14.543 6.710 -5.508 1.00 0.35 C ATOM 1551 O GLU A 103 -15.661 6.475 -5.974 1.00 0.45 O ATOM 1552 CB GLU A 103 -14.920 9.198 -5.249 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.435 9.232 -5.166 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.028 10.336 -6.008 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.312 10.088 -7.198 1.00 1.47 O ATOM 1556 OE2 GLU A 103 -17.202 11.459 -5.493 1.00 1.31 O ATOM 0 H GLU A 103 -12.529 7.858 -3.489 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.746 7.769 -3.663 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.520 10.079 -4.747 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.623 9.265 -6.296 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -16.837 8.273 -5.493 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -16.737 9.367 -4.128 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.508 5.914 -5.709 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.600 4.694 -6.483 1.00 0.31 C ATOM 1565 C LYS A 104 -13.966 3.527 -5.566 1.00 0.28 C ATOM 1566 O LYS A 104 -13.243 2.537 -5.477 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.251 4.452 -7.161 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.369 3.885 -8.547 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.247 4.356 -9.460 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.521 4.002 -10.914 1.00 1.11 C ATOM 1571 NZ LYS A 104 -11.563 2.532 -11.143 1.00 1.89 N ATOM 0 H LYS A 104 -12.576 6.099 -5.337 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.377 4.781 -7.243 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.703 5.393 -7.208 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -11.662 3.770 -6.547 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -12.359 2.796 -8.494 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -13.329 4.174 -8.975 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -11.128 5.435 -9.364 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -10.307 3.903 -9.146 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -12.471 4.442 -11.219 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -10.749 4.443 -11.544 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -11.735 2.342 -12.151 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -10.655 2.111 -10.862 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -12.328 2.114 -10.576 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.104 3.653 -4.893 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.487 2.715 -3.834 1.00 0.25 C ATOM 1587 C TYR A 105 -15.735 1.301 -4.351 1.00 0.26 C ATOM 1588 O TYR A 105 -15.477 0.336 -3.635 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.706 3.224 -3.057 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.469 4.576 -2.436 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.619 4.730 -1.351 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.122 5.698 -2.924 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.425 5.971 -0.772 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.938 6.936 -2.351 1.00 0.39 C ATOM 1595 CZ TYR A 105 -15.979 7.067 -1.310 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.905 8.307 -0.698 1.00 0.46 O ATOM 0 H TYR A 105 -15.782 4.397 -5.060 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.635 2.659 -3.156 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.563 3.281 -3.728 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.960 2.508 -2.275 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.102 3.870 -0.953 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.787 5.599 -3.769 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.823 6.058 0.120 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.510 7.789 -2.685 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.369 8.972 -1.249 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.214 1.166 -5.584 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.409 -0.160 -6.172 1.00 0.35 C ATOM 1608 C LYS A 106 -15.079 -0.893 -6.260 1.00 0.31 C ATOM 1609 O LYS A 106 -15.002 -2.108 -6.064 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.036 -0.068 -7.564 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.482 0.392 -7.561 1.00 0.56 C ATOM 1612 CD LYS A 106 -19.090 0.314 -8.951 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.565 0.671 -8.931 1.00 0.94 C ATOM 1614 NZ LYS A 106 -20.790 2.080 -8.525 1.00 1.57 N ATOM 0 H LYS A 106 -16.472 1.945 -6.190 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.091 -0.713 -5.526 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.448 0.620 -8.171 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -16.977 -1.045 -8.043 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.061 -0.225 -6.874 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.539 1.417 -7.194 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -18.559 0.991 -9.620 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -18.963 -0.693 -9.349 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -20.991 0.506 -9.921 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -21.089 0.007 -8.243 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -21.481 2.111 -7.749 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -19.892 2.497 -8.206 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.154 2.621 -9.335 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.034 -0.135 -6.540 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.690 -0.677 -6.633 1.00 0.29 C ATOM 1630 C ASP A 107 -12.080 -0.808 -5.245 1.00 0.23 C ATOM 1631 O ASP A 107 -11.246 -1.684 -4.998 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.828 0.225 -7.510 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.213 0.159 -8.972 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -11.774 -0.782 -9.665 1.00 0.67 O ATOM 1635 OD2 ASP A 107 -12.968 1.039 -9.436 1.00 0.64 O ATOM 0 H ASP A 107 -14.092 0.869 -6.709 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.736 -1.668 -7.085 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.915 1.254 -7.162 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.782 -0.061 -7.401 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.508 0.069 -4.344 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.079 0.021 -2.953 1.00 0.18 C ATOM 1642 C ALA A 108 -12.478 -1.310 -2.335 1.00 0.16 C ATOM 1643 O ALA A 108 -11.626 -2.080 -1.891 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.683 1.182 -2.162 1.00 0.18 C ATOM 0 H ALA A 108 -13.157 0.827 -4.555 1.00 0.22 H new ATOM 0 HA ALA A 108 -10.994 0.116 -2.917 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.350 1.128 -1.125 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.359 2.127 -2.598 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.771 1.120 -2.198 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.779 -1.581 -2.348 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.334 -2.820 -1.809 1.00 0.18 C ATOM 1652 C ILE A 109 -13.711 -4.040 -2.484 1.00 0.19 C ATOM 1653 O ILE A 109 -13.505 -5.075 -1.845 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.869 -2.838 -1.994 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.493 -1.712 -1.180 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.461 -4.172 -1.576 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.642 -1.022 -1.870 1.00 0.51 C ATOM 0 H ILE A 109 -14.480 -0.948 -2.733 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.100 -2.863 -0.745 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.089 -2.693 -3.052 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.842 -2.115 -0.229 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.724 -0.974 -0.950 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.541 -4.151 -1.719 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -16.030 -4.968 -2.184 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.237 -4.356 -0.525 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -18.032 -0.233 -1.227 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.295 -0.587 -2.808 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.431 -1.746 -2.075 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.397 -3.902 -3.768 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.755 -4.973 -4.519 1.00 0.23 C ATOM 1671 C HIS A 110 -11.487 -5.438 -3.813 1.00 0.20 C ATOM 1672 O HIS A 110 -11.378 -6.595 -3.411 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.416 -4.507 -5.942 1.00 0.27 C ATOM 1674 CG HIS A 110 -11.782 -5.570 -6.792 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.502 -6.423 -7.595 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.484 -5.919 -6.952 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -11.676 -7.250 -8.207 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.443 -6.964 -7.839 1.00 0.40 N ATOM 0 H HIS A 110 -13.577 -3.057 -4.310 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.452 -5.809 -4.578 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.328 -4.162 -6.428 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.743 -3.652 -5.884 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.516 -6.417 -7.701 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.635 -5.458 -6.469 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -11.963 -8.031 -8.895 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.540 -4.527 -3.647 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.254 -4.870 -3.057 1.00 0.17 C ATOM 1689 C PHE A 111 -9.354 -5.002 -1.543 1.00 0.16 C ATOM 1690 O PHE A 111 -8.509 -5.639 -0.919 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.193 -3.849 -3.450 1.00 0.17 C ATOM 1692 CG PHE A 111 -7.824 -3.922 -4.905 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -6.928 -4.878 -5.361 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.374 -3.040 -5.819 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.587 -4.948 -6.695 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.035 -3.107 -7.156 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.141 -4.060 -7.594 1.00 0.32 C ATOM 0 H PHE A 111 -10.637 -3.547 -3.912 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.954 -5.842 -3.450 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.557 -2.847 -3.222 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.300 -4.009 -2.845 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.492 -5.576 -4.662 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.076 -2.291 -5.483 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -5.887 -5.697 -7.036 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -8.471 -2.412 -7.859 1.00 0.31 H new ATOM 0 HZ PHE A 111 -6.874 -4.112 -8.639 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.386 -4.410 -0.956 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.659 -4.621 0.458 1.00 0.17 C ATOM 1709 C TYR A 112 -10.907 -6.097 0.725 1.00 0.20 C ATOM 1710 O TYR A 112 -10.230 -6.708 1.544 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.869 -3.814 0.929 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.608 -2.342 1.165 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.341 -1.905 1.524 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.609 -1.388 1.006 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -10.077 -0.572 1.722 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.350 -0.048 1.199 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.175 0.358 1.638 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.823 1.690 1.745 1.00 0.32 O ATOM 0 H TYR A 112 -11.040 -3.788 -1.431 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.785 -4.281 1.014 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.662 -3.912 0.188 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.241 -4.254 1.854 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.548 -2.627 1.650 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.604 -1.703 0.727 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -9.075 -0.230 1.935 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.120 0.679 0.988 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.633 2.240 1.789 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.870 -6.667 0.009 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.209 -8.082 0.149 1.00 0.28 C ATOM 1730 C ASN A 113 -11.010 -8.963 -0.202 1.00 0.27 C ATOM 1731 O ASN A 113 -10.881 -10.087 0.281 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.397 -8.416 -0.754 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.979 -9.785 -0.479 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.579 -10.780 -1.081 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.940 -9.837 0.429 1.00 1.23 N ATOM 0 H ASN A 113 -12.434 -6.168 -0.679 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.480 -8.278 1.186 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.173 -7.663 -0.618 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.081 -8.364 -1.796 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.381 -10.729 0.654 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -15.240 -8.985 0.904 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.131 -8.426 -1.037 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.884 -9.090 -1.399 1.00 0.24 C ATOM 1744 C LYS A 114 -7.914 -9.105 -0.220 1.00 0.21 C ATOM 1745 O LYS A 114 -7.085 -10.003 -0.092 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.257 -8.370 -2.569 1.00 0.26 C ATOM 1747 CG LYS A 114 -9.033 -8.513 -3.848 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.259 -9.371 -4.810 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.922 -9.426 -6.159 1.00 0.48 C ATOM 1750 NZ LYS A 114 -10.138 -10.286 -6.147 1.00 1.25 N ATOM 0 H LYS A 114 -10.261 -7.518 -1.483 1.00 0.25 H new ATOM 0 HA LYS A 114 -9.103 -10.122 -1.674 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.164 -7.311 -2.326 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.247 -8.752 -2.721 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -10.007 -8.960 -3.647 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.217 -7.532 -4.286 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.248 -8.978 -4.917 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.168 -10.380 -4.407 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.194 -8.418 -6.471 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.215 -9.808 -6.895 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -10.565 -10.297 -7.095 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -9.875 -11.255 -5.874 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -10.824 -9.908 -5.463 1.00 1.25 H new ATOM 1764 N SER A 115 -8.013 -8.095 0.632 1.00 0.20 N ATOM 1765 CA SER A 115 -7.241 -8.063 1.861 1.00 0.21 C ATOM 1766 C SER A 115 -7.796 -9.102 2.822 1.00 0.25 C ATOM 1767 O SER A 115 -7.045 -9.831 3.467 1.00 0.28 O ATOM 1768 CB SER A 115 -7.294 -6.675 2.496 1.00 0.23 C ATOM 1769 OG SER A 115 -6.503 -6.610 3.663 1.00 1.04 O ATOM 0 H SER A 115 -8.621 -7.288 0.493 1.00 0.20 H new ATOM 0 HA SER A 115 -6.199 -8.290 1.636 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.947 -5.932 1.778 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.326 -6.425 2.740 1.00 0.23 H new ATOM 0 HG SER A 115 -5.887 -5.851 3.599 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.128 -9.178 2.886 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.805 -10.224 3.648 1.00 0.31 C ATOM 1777 C LEU A 116 -9.414 -11.599 3.102 1.00 0.33 C ATOM 1778 O LEU A 116 -9.479 -12.606 3.805 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.339 -10.066 3.582 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.975 -8.975 4.466 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.397 -8.999 5.864 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.824 -7.592 3.861 1.00 0.35 C ATOM 0 H LEU A 116 -9.757 -8.526 2.418 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.495 -10.134 4.689 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.613 -9.864 2.547 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.789 -11.022 3.850 1.00 0.34 H new ATOM 0 HG LEU A 116 -13.040 -9.199 4.523 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.865 -8.219 6.464 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.587 -9.971 6.320 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.322 -8.825 5.816 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.287 -6.855 4.518 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.766 -7.360 3.744 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.311 -7.566 2.886 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.009 -11.614 1.835 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.613 -12.835 1.147 1.00 0.33 C ATOM 1796 C ALA A 117 -7.233 -13.315 1.597 1.00 0.33 C ATOM 1797 O ALA A 117 -6.967 -14.517 1.623 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.633 -12.601 -0.360 1.00 0.32 C ATOM 0 H ALA A 117 -8.947 -10.776 1.257 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.327 -13.618 1.403 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.336 -13.515 -0.874 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.639 -12.320 -0.671 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.938 -11.801 -0.613 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.358 -12.382 1.952 1.00 0.29 N ATOM 1805 CA GLU A 118 -5.005 -12.737 2.372 1.00 0.30 C ATOM 1806 C GLU A 118 -4.863 -12.732 3.891 1.00 0.32 C ATOM 1807 O GLU A 118 -4.378 -13.696 4.480 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.981 -11.783 1.758 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.805 -11.957 0.258 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.526 -13.394 -0.133 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.500 -13.952 0.313 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.337 -13.985 -0.874 1.00 0.53 O ATOM 0 H GLU A 118 -6.557 -11.382 1.958 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.815 -13.749 2.016 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.286 -10.757 1.962 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -3.019 -11.933 2.247 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.705 -11.614 -0.252 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -2.985 -11.326 -0.084 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.301 -11.657 4.521 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.161 -11.508 5.960 1.00 0.36 C ATOM 1821 C HIS A 119 -6.396 -10.816 6.526 1.00 0.37 C ATOM 1822 O HIS A 119 -6.502 -9.588 6.526 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.858 -10.741 6.266 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.674 -10.265 7.678 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.858 -9.200 8.009 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.162 -10.729 8.845 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.853 -9.044 9.318 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.634 -9.959 9.847 1.00 0.50 N ATOM 0 H HIS A 119 -5.758 -10.872 4.058 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.090 -12.483 6.443 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -3.016 -11.384 6.011 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.809 -9.875 5.606 1.00 0.35 H new ATOM 0 HD2 HIS A 119 -4.845 -11.557 8.968 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.301 -8.292 9.863 1.00 0.48 H new ATOM 0 HE2 HIS A 119 -3.817 -10.077 10.843 1.00 0.50 H new ATOM 1837 N ARG A 120 -7.319 -11.632 7.020 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.597 -11.155 7.525 1.00 0.43 C ATOM 1839 C ARG A 120 -8.406 -10.309 8.776 1.00 0.46 C ATOM 1840 O ARG A 120 -8.019 -10.811 9.832 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.514 -12.343 7.819 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.906 -11.958 8.293 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.790 -13.184 8.445 1.00 0.62 C ATOM 1844 NE ARG A 120 -11.885 -13.947 7.199 1.00 1.38 N ATOM 1845 CZ ARG A 120 -11.500 -15.217 7.066 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -10.980 -15.878 8.097 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -11.632 -15.820 5.893 1.00 2.87 N ATOM 0 H ARG A 120 -7.201 -12.643 7.081 1.00 0.41 H new ATOM 0 HA ARG A 120 -9.059 -10.528 6.763 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.605 -12.948 6.917 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -9.045 -12.970 8.578 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.837 -11.435 9.247 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.357 -11.266 7.582 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -11.391 -13.823 9.233 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -12.787 -12.876 8.759 1.00 0.62 H new ATOM 0 HE ARG A 120 -12.270 -13.477 6.380 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -10.873 -15.414 8.999 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -10.688 -16.849 7.986 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -12.026 -15.313 5.100 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -11.340 -16.791 5.783 1.00 2.87 H new ATOM 1861 N THR A 121 -8.661 -9.020 8.634 1.00 0.45 N ATOM 1862 CA THR A 121 -8.560 -8.088 9.738 1.00 0.50 C ATOM 1863 C THR A 121 -9.736 -7.121 9.729 1.00 0.49 C ATOM 1864 O THR A 121 -10.258 -6.761 8.668 1.00 0.47 O ATOM 1865 CB THR A 121 -7.236 -7.306 9.690 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.905 -6.959 8.339 1.00 0.52 O ATOM 1867 CG2 THR A 121 -6.112 -8.107 10.315 1.00 0.62 C ATOM 0 H THR A 121 -8.943 -8.593 7.752 1.00 0.45 H new ATOM 0 HA THR A 121 -8.581 -8.666 10.662 1.00 0.50 H new ATOM 0 HB THR A 121 -7.365 -6.389 10.265 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.061 -6.461 8.327 1.00 0.52 H new ATOM 0 HG21 THR A 121 -5.187 -7.533 10.269 1.00 0.62 H new ATOM 0 HG22 THR A 121 -6.354 -8.322 11.356 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.986 -9.043 9.771 1.00 0.62 H new ATOM 1875 N PRO A 122 -10.167 -6.706 10.931 1.00 0.56 N ATOM 1876 CA PRO A 122 -11.389 -5.933 11.125 1.00 0.56 C ATOM 1877 C PRO A 122 -11.346 -4.562 10.469 1.00 0.51 C ATOM 1878 O PRO A 122 -12.387 -4.003 10.143 1.00 0.50 O ATOM 1879 CB PRO A 122 -11.501 -5.785 12.641 1.00 0.65 C ATOM 1880 CG PRO A 122 -10.528 -6.732 13.231 1.00 0.76 C ATOM 1881 CD PRO A 122 -9.482 -6.968 12.204 1.00 0.69 C ATOM 0 HA PRO A 122 -12.240 -6.436 10.665 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -11.281 -4.762 12.948 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -12.513 -6.009 12.979 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -10.091 -6.320 14.141 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -11.017 -7.666 13.507 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -8.630 -6.303 12.343 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -9.101 -7.988 12.250 1.00 0.69 H new ATOM 1889 N ASP A 123 -10.145 -4.028 10.277 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.978 -2.707 9.674 1.00 0.48 C ATOM 1891 C ASP A 123 -10.470 -2.707 8.241 1.00 0.40 C ATOM 1892 O ASP A 123 -11.270 -1.857 7.853 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.512 -2.274 9.689 1.00 0.55 C ATOM 1894 CG ASP A 123 -7.853 -2.435 11.041 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -8.039 -1.559 11.911 1.00 2.06 O ATOM 1896 OD2 ASP A 123 -7.132 -3.439 11.236 1.00 2.20 O ATOM 0 H ASP A 123 -9.271 -4.489 10.530 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.566 -2.005 10.266 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.961 -2.858 8.952 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -8.446 -1.230 9.383 1.00 0.55 H new ATOM 1901 N VAL A 124 -10.004 -3.666 7.455 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.373 -3.709 6.052 1.00 0.29 C ATOM 1903 C VAL A 124 -11.814 -4.159 5.910 1.00 0.28 C ATOM 1904 O VAL A 124 -12.513 -3.738 4.998 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.489 -4.645 5.217 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.560 -4.245 3.754 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -8.051 -4.655 5.708 1.00 0.31 C ATOM 0 H VAL A 124 -9.380 -4.413 7.760 1.00 0.35 H new ATOM 0 HA VAL A 124 -10.234 -2.697 5.672 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.868 -5.661 5.330 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.931 -4.911 3.164 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.591 -4.317 3.407 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.209 -3.219 3.640 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.460 -5.330 5.089 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.638 -3.648 5.644 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -8.023 -4.993 6.744 1.00 0.31 H new ATOM 1917 N LEU A 125 -12.248 -5.021 6.817 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.635 -5.455 6.852 1.00 0.38 C ATOM 1919 C LEU A 125 -14.526 -4.246 7.111 1.00 0.38 C ATOM 1920 O LEU A 125 -15.518 -4.025 6.418 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.817 -6.523 7.936 1.00 0.45 C ATOM 1922 CG LEU A 125 -15.166 -7.245 7.938 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -15.012 -8.640 8.521 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -16.195 -6.463 8.739 1.00 0.54 C ATOM 0 H LEU A 125 -11.658 -5.434 7.539 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.916 -5.897 5.896 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -13.028 -7.267 7.823 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.676 -6.054 8.910 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.513 -7.322 6.908 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.978 -9.145 8.517 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -14.303 -9.209 7.920 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.644 -8.568 9.544 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -17.146 -6.995 8.727 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.851 -6.358 9.768 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.326 -5.475 8.297 1.00 0.54 H new ATOM 1936 N LYS A 126 -14.134 -3.459 8.104 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.792 -2.200 8.415 1.00 0.42 C ATOM 1938 C LYS A 126 -14.799 -1.285 7.199 1.00 0.39 C ATOM 1939 O LYS A 126 -15.831 -0.732 6.830 1.00 0.43 O ATOM 1940 CB LYS A 126 -14.072 -1.522 9.582 1.00 0.48 C ATOM 1941 CG LYS A 126 -14.451 -0.067 9.786 1.00 0.58 C ATOM 1942 CD LYS A 126 -13.820 0.502 11.045 1.00 0.72 C ATOM 1943 CE LYS A 126 -14.424 -0.117 12.297 1.00 1.37 C ATOM 1944 NZ LYS A 126 -15.895 0.089 12.369 1.00 2.04 N ATOM 0 H LYS A 126 -13.349 -3.677 8.717 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.826 -2.401 8.696 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -14.288 -2.074 10.497 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.996 -1.586 9.417 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -14.133 0.517 8.923 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -15.536 0.022 9.849 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.745 0.320 11.029 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -13.960 1.583 11.068 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -14.207 -1.185 12.314 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -13.954 0.318 13.179 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -16.222 -0.081 13.341 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -16.123 1.066 12.093 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -16.370 -0.573 11.723 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.638 -1.143 6.579 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.491 -0.311 5.394 1.00 0.31 C ATOM 1960 C LYS A 127 -14.341 -0.819 4.247 1.00 0.27 C ATOM 1961 O LYS A 127 -14.905 -0.035 3.485 1.00 0.27 O ATOM 1962 CB LYS A 127 -12.032 -0.268 4.962 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.348 1.047 5.290 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.413 1.375 6.773 1.00 0.55 C ATOM 1965 CE LYS A 127 -11.177 2.858 7.014 1.00 0.82 C ATOM 1966 NZ LYS A 127 -11.190 3.194 8.460 1.00 1.48 N ATOM 0 H LYS A 127 -12.776 -1.598 6.880 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.830 0.692 5.653 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.492 -1.081 5.447 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.973 -0.442 3.888 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.305 1.000 4.976 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.817 1.850 4.721 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.387 1.089 7.170 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.666 0.792 7.311 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -10.219 3.148 6.583 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.945 3.436 6.500 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -11.026 4.214 8.581 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -12.113 2.942 8.867 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -10.440 2.662 8.947 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.424 -2.130 4.127 1.00 0.27 N ATOM 1981 CA CYS A 128 -15.165 -2.748 3.050 1.00 0.26 C ATOM 1982 C CYS A 128 -16.655 -2.460 3.205 1.00 0.29 C ATOM 1983 O CYS A 128 -17.366 -2.238 2.223 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.901 -4.260 3.029 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.682 -5.145 1.661 1.00 0.91 S ATOM 0 H CYS A 128 -13.983 -2.790 4.768 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.832 -2.328 2.101 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.825 -4.426 2.984 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.251 -4.689 3.968 1.00 0.26 H new ATOM 0 HG CYS A 128 -15.392 -6.410 1.740 1.00 0.91 H new ATOM 1991 N GLN A 129 -17.119 -2.458 4.449 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.497 -2.096 4.744 1.00 0.36 C ATOM 1993 C GLN A 129 -18.681 -0.594 4.571 1.00 0.32 C ATOM 1994 O GLN A 129 -19.679 -0.137 4.010 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.864 -2.499 6.170 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.713 -3.987 6.438 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.922 -4.335 7.897 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.654 -3.526 8.788 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -19.398 -5.542 8.154 1.00 1.10 N ATOM 0 H GLN A 129 -16.561 -2.703 5.267 1.00 0.32 H new ATOM 0 HA GLN A 129 -19.153 -2.626 4.053 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -18.235 -1.947 6.868 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.895 -2.205 6.368 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.430 -4.538 5.830 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.719 -4.310 6.129 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -19.607 -6.182 7.387 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -19.556 -5.833 9.119 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.692 0.158 5.049 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.701 1.614 4.973 1.00 0.30 C ATOM 2010 C GLN A 130 -17.870 2.072 3.530 1.00 0.26 C ATOM 2011 O GLN A 130 -18.800 2.802 3.210 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.395 2.182 5.536 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.472 3.649 5.928 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.319 3.880 7.167 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -17.418 3.013 8.040 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -17.916 5.055 7.264 1.00 1.65 N ATOM 0 H GLN A 130 -16.862 -0.227 5.500 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.540 1.981 5.565 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.105 1.599 6.410 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.607 2.057 4.793 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.465 4.027 6.105 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.886 4.222 5.098 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -17.809 5.744 6.520 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -18.484 5.272 8.083 1.00 1.65 H new ATOM 2025 N ALA A 131 -16.978 1.620 2.660 1.00 0.23 N ATOM 2026 CA ALA A 131 -16.999 2.031 1.263 1.00 0.21 C ATOM 2027 C ALA A 131 -18.294 1.637 0.580 1.00 0.23 C ATOM 2028 O ALA A 131 -18.786 2.362 -0.281 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.820 1.446 0.511 1.00 0.20 C ATOM 0 H ALA A 131 -16.230 0.968 2.897 1.00 0.23 H new ATOM 0 HA ALA A 131 -16.926 3.118 1.248 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.857 1.767 -0.530 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.891 1.792 0.965 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.863 0.358 0.557 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.849 0.497 0.964 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.070 0.023 0.343 1.00 0.35 C ATOM 2037 C GLU A 132 -21.236 0.933 0.704 1.00 0.35 C ATOM 2038 O GLU A 132 -21.987 1.365 -0.167 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.374 -1.409 0.752 1.00 0.48 C ATOM 2040 CG GLU A 132 -21.337 -2.097 -0.190 1.00 1.02 C ATOM 2041 CD GLU A 132 -22.009 -3.303 0.423 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -21.309 -4.289 0.733 1.00 1.41 O ATOM 2043 OE2 GLU A 132 -23.246 -3.270 0.598 1.00 2.04 O ATOM 0 H GLU A 132 -18.476 -0.109 1.695 1.00 0.26 H new ATOM 0 HA GLU A 132 -19.927 0.043 -0.737 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -19.444 -1.976 0.791 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -20.792 -1.413 1.759 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -22.100 -1.384 -0.504 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.800 -2.405 -1.087 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.369 1.245 1.990 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.442 2.121 2.448 1.00 0.36 C ATOM 2052 C LYS A 133 -22.204 3.552 1.967 1.00 0.37 C ATOM 2053 O LYS A 133 -23.149 4.302 1.727 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.581 2.064 3.977 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.347 2.523 4.738 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.443 2.208 6.225 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.608 2.932 6.885 1.00 1.04 C ATOM 2058 NZ LYS A 133 -22.730 2.594 8.329 1.00 1.90 N ATOM 0 H LYS A 133 -20.752 0.907 2.728 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.381 1.771 2.018 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.428 2.682 4.276 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.814 1.040 4.270 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.464 2.039 4.321 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.216 3.597 4.603 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.560 1.133 6.361 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.513 2.493 6.717 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.475 4.008 6.775 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -23.534 2.671 6.372 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -23.535 3.108 8.739 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -22.883 1.571 8.434 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -21.857 2.866 8.824 1.00 1.90 H new ATOM 2072 N ILE A 134 -20.937 3.920 1.818 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.575 5.219 1.262 1.00 0.34 C ATOM 2074 C ILE A 134 -20.946 5.298 -0.215 1.00 0.39 C ATOM 2075 O ILE A 134 -21.446 6.315 -0.690 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.068 5.507 1.412 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.702 5.741 2.868 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -18.671 6.709 0.597 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.225 5.966 3.091 1.00 0.33 C ATOM 0 H ILE A 134 -20.141 3.336 2.075 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.133 5.967 1.825 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.528 4.633 1.047 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.253 6.606 3.238 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.023 4.882 3.457 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.604 6.894 0.718 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -18.891 6.524 -0.455 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.231 7.580 0.937 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.038 6.126 4.153 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.669 5.092 2.752 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -16.902 6.842 2.529 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.696 4.215 -0.937 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.023 4.144 -2.353 1.00 0.48 C ATOM 2093 C LEU A 135 -22.529 4.297 -2.554 1.00 0.58 C ATOM 2094 O LEU A 135 -22.980 4.841 -3.561 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.535 2.819 -2.946 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.681 2.688 -4.461 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.658 3.541 -5.192 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.569 1.231 -4.878 1.00 1.37 C ATOM 0 H LEU A 135 -20.265 3.370 -0.563 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.519 4.960 -2.871 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.484 2.689 -2.686 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -21.084 2.004 -2.473 1.00 0.51 H new ATOM 0 HG LEU A 135 -21.670 3.054 -4.738 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -19.789 3.425 -6.268 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -19.796 4.588 -4.921 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -18.653 3.223 -4.913 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.675 1.153 -5.960 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -19.596 0.841 -4.580 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -21.356 0.652 -4.394 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.299 3.832 -1.574 1.00 0.58 N ATOM 2111 CA LYS A 136 -24.749 3.982 -1.599 1.00 0.72 C ATOM 2112 C LYS A 136 -25.128 5.456 -1.477 1.00 0.77 C ATOM 2113 O LYS A 136 -26.126 5.901 -2.039 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.397 3.178 -0.473 1.00 0.79 C ATOM 2115 CG LYS A 136 -24.940 1.731 -0.423 1.00 1.26 C ATOM 2116 CD LYS A 136 -25.648 0.948 0.671 1.00 1.73 C ATOM 2117 CE LYS A 136 -24.984 -0.400 0.912 1.00 2.54 C ATOM 2118 NZ LYS A 136 -24.893 -1.215 -0.329 1.00 3.36 N ATOM 0 H LYS A 136 -22.941 3.347 -0.751 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.117 3.598 -2.551 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -25.171 3.655 0.480 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -26.480 3.205 -0.594 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -25.128 1.258 -1.387 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -23.864 1.696 -0.255 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -25.644 1.527 1.595 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -26.691 0.796 0.394 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -23.983 -0.243 1.315 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -25.548 -0.951 1.665 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -24.434 -2.123 -0.115 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -25.849 -1.389 -0.701 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -24.333 -0.703 -1.040 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.315 6.210 -0.742 1.00 0.70 N ATOM 2133 CA GLU A 137 -24.492 7.655 -0.644 1.00 0.82 C ATOM 2134 C GLU A 137 -24.187 8.300 -1.990 1.00 0.87 C ATOM 2135 O GLU A 137 -24.802 9.295 -2.378 1.00 1.03 O ATOM 2136 CB GLU A 137 -23.556 8.257 0.410 1.00 0.82 C ATOM 2137 CG GLU A 137 -23.650 7.613 1.781 1.00 1.02 C ATOM 2138 CD GLU A 137 -22.785 8.323 2.804 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -21.577 8.010 2.883 1.00 2.28 O ATOM 2140 OE2 GLU A 137 -23.305 9.193 3.540 1.00 2.01 O ATOM 0 H GLU A 137 -23.528 5.844 -0.206 1.00 0.70 H new ATOM 0 HA GLU A 137 -25.524 7.848 -0.353 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -22.529 8.175 0.054 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -23.776 9.320 0.507 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -24.687 7.622 2.115 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -23.346 6.568 1.712 1.00 1.02 H new ATOM 2147 N GLN A 138 -23.229 7.712 -2.696 1.00 0.80 N ATOM 2148 CA GLN A 138 -22.751 8.252 -3.959 1.00 0.89 C ATOM 2149 C GLN A 138 -23.804 8.127 -5.055 1.00 1.04 C ATOM 2150 O GLN A 138 -24.055 9.076 -5.799 1.00 1.19 O ATOM 2151 CB GLN A 138 -21.470 7.537 -4.380 1.00 0.87 C ATOM 2152 CG GLN A 138 -20.333 7.740 -3.400 1.00 0.80 C ATOM 2153 CD GLN A 138 -19.833 9.168 -3.366 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -19.907 9.890 -4.360 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -19.324 9.590 -2.222 1.00 1.60 N ATOM 0 H GLN A 138 -22.764 6.851 -2.409 1.00 0.80 H new ATOM 0 HA GLN A 138 -22.544 9.312 -3.814 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -21.671 6.470 -4.480 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -21.165 7.897 -5.363 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -20.664 7.452 -2.402 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -19.509 7.078 -3.665 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -19.280 8.961 -1.420 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -18.975 10.545 -2.141 1.00 1.60 H new ATOM 2164 N GLU A 139 -24.420 6.958 -5.153 1.00 1.14 N ATOM 2165 CA GLU A 139 -25.436 6.719 -6.168 1.00 1.35 C ATOM 2166 C GLU A 139 -26.804 6.476 -5.529 1.00 1.86 C ATOM 2167 O GLU A 139 -27.422 7.460 -5.071 1.00 2.30 O ATOM 2168 CB GLU A 139 -25.028 5.545 -7.064 1.00 1.47 C ATOM 2169 CG GLU A 139 -24.545 4.322 -6.299 1.00 1.46 C ATOM 2170 CD GLU A 139 -24.224 3.159 -7.208 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -25.165 2.523 -7.729 1.00 1.94 O ATOM 2172 OE2 GLU A 139 -23.029 2.866 -7.407 1.00 2.99 O ATOM 2173 OXT GLU A 139 -27.264 5.315 -5.491 1.00 2.51 O ATOM 0 H GLU A 139 -24.235 6.161 -4.543 1.00 1.14 H new ATOM 0 HA GLU A 139 -25.518 7.611 -6.789 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -25.879 5.261 -7.683 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -24.238 5.874 -7.739 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -23.657 4.585 -5.724 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -25.310 4.019 -5.584 1.00 1.46 H new TER 2180 GLU A 139