USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1106 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 121 LYS NZ :NH3+ 149:sc= 0.0321 (180deg=0) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 44 SER OG : rot 9:sc= 0.244 USER MOD Set 2.2: A 59 HIS : no HD1:sc= -2.23! C(o=-2!,f=-2.8!) USER MOD Set 2.3: A 67 SER OG : rot 99:sc=-0.00394 USER MOD Set 3.1: A 29 ASN : amide:sc= -5.58! C(o=-9.3!,f=-19!) USER MOD Set 3.2: A 90 ASN : amide:sc= -3.74! C(o=-9.3!,f=-20!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -140:sc= -0.737 (180deg=-2.8!) USER MOD Single : A 10 GLN : amide:sc= -0.592 K(o=-0.59,f=-1.6) USER MOD Single : A 11 LYS NZ :NH3+ -119:sc= -0.305 (180deg=-1.77!) USER MOD Single : A 13 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.6!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -1.46! X(o=-1.5!,f=-1.3) USER MOD Single : A 17 GLN : amide:sc= -2.4 X(o=-2.4,f=-2.7!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0189) USER MOD Single : A 46 ASN : amide:sc= -2.27! K(o=-2.3!,f=-1.1) USER MOD Single : A 61 ASN : amide:sc= -0.0182 K(o=-0.018,f=-0.92) USER MOD Single : A 65 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-6.2!) USER MOD Single : A 70 LYS NZ :NH3+ -150:sc= -0.122 (180deg=-1.02) USER MOD Single : A 71 SER OG : rot -150:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0762 X(o=-0.076,f=-0.39) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 79:sc= 0.288 USER MOD Single : A 85 MET CE :methyl -155:sc= -0.161 (180deg=-0.63) USER MOD Single : A 86 GLN : amide:sc= -10.7! C(o=-11!,f=-12!) USER MOD Single : A 88 MET CE :methyl 177:sc= -0.0444 (180deg=-0.05) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 150:sc= -0.0136 USER MOD Single : A 100 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.042) USER MOD Single : A 104 ASN : amide:sc= -1.86 X(o=-1.9,f=-1.6) USER MOD Single : A 109 GLN : amide:sc= -3.94! C(o=-3.9!,f=-3.6!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.46!) USER MOD Single : A 124 LYS NZ :NH3+ 170:sc=-0.000648 (180deg=-0.0843) USER MOD Single : A 125 LYS NZ :NH3+ 175:sc= 0.372 (180deg=0.351) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.0038 X(o=-0.0038,f=-0.0038) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= -0.0942 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.909 -19.032 -5.610 1.00 0.00 N ATOM 2 CA GLY A 1 -8.288 -19.228 -5.202 1.00 0.00 C ATOM 3 C GLY A 1 -9.275 -18.776 -6.259 1.00 0.00 C ATOM 4 O GLY A 1 -9.232 -19.241 -7.398 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.274 -19.356 -4.853 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.722 -19.577 -6.476 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.741 -18.022 -5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.452 -20.283 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.472 -18.679 -4.279 1.00 0.00 H new ATOM 8 N SER A 2 -10.170 -17.868 -5.882 1.00 0.00 N ATOM 9 CA SER A 2 -11.176 -17.357 -6.805 1.00 0.00 C ATOM 10 C SER A 2 -11.923 -16.175 -6.194 1.00 0.00 C ATOM 11 O SER A 2 -12.126 -16.114 -4.982 1.00 0.00 O ATOM 12 CB SER A 2 -12.166 -18.463 -7.177 1.00 0.00 C ATOM 13 OG SER A 2 -13.055 -18.032 -8.193 1.00 0.00 O ATOM 0 H SER A 2 -10.219 -17.471 -4.944 1.00 0.00 H new ATOM 0 HA SER A 2 -10.667 -17.016 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.621 -19.344 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.733 -18.759 -6.295 1.00 0.00 H new ATOM 0 HG SER A 2 -13.676 -18.757 -8.414 1.00 0.00 H new ATOM 19 N SER A 3 -12.330 -15.238 -7.044 1.00 0.00 N ATOM 20 CA SER A 3 -13.051 -14.055 -6.589 1.00 0.00 C ATOM 21 C SER A 3 -14.446 -13.999 -7.204 1.00 0.00 C ATOM 22 O SER A 3 -14.613 -14.184 -8.409 1.00 0.00 O ATOM 23 CB SER A 3 -12.272 -12.787 -6.947 1.00 0.00 C ATOM 24 OG SER A 3 -12.689 -11.691 -6.152 1.00 0.00 O ATOM 0 H SER A 3 -12.173 -15.275 -8.051 1.00 0.00 H new ATOM 0 HA SER A 3 -13.153 -14.116 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.205 -12.959 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.418 -12.552 -8.001 1.00 0.00 H new ATOM 0 HG SER A 3 -12.175 -10.894 -6.399 1.00 0.00 H new ATOM 30 N GLY A 4 -15.446 -13.742 -6.366 1.00 0.00 N ATOM 31 CA GLY A 4 -16.814 -13.666 -6.844 1.00 0.00 C ATOM 32 C GLY A 4 -17.725 -14.662 -6.154 1.00 0.00 C ATOM 33 O GLY A 4 -18.102 -15.678 -6.739 1.00 0.00 O ATOM 0 H GLY A 4 -15.333 -13.585 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.196 -12.658 -6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.831 -13.847 -7.919 1.00 0.00 H new ATOM 37 N SER A 5 -18.080 -14.371 -4.907 1.00 0.00 N ATOM 38 CA SER A 5 -18.948 -15.251 -4.134 1.00 0.00 C ATOM 39 C SER A 5 -20.150 -14.486 -3.588 1.00 0.00 C ATOM 40 O SER A 5 -20.059 -13.295 -3.292 1.00 0.00 O ATOM 41 CB SER A 5 -18.169 -15.889 -2.982 1.00 0.00 C ATOM 42 OG SER A 5 -18.885 -16.977 -2.423 1.00 0.00 O ATOM 0 H SER A 5 -17.780 -13.532 -4.410 1.00 0.00 H new ATOM 0 HA SER A 5 -19.310 -16.037 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.199 -16.234 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.976 -15.142 -2.212 1.00 0.00 H new ATOM 0 HG SER A 5 -18.365 -17.369 -1.690 1.00 0.00 H new ATOM 48 N SER A 6 -21.276 -15.181 -3.457 1.00 0.00 N ATOM 49 CA SER A 6 -22.498 -14.567 -2.950 1.00 0.00 C ATOM 50 C SER A 6 -22.219 -13.769 -1.680 1.00 0.00 C ATOM 51 O SER A 6 -22.243 -14.311 -0.576 1.00 0.00 O ATOM 52 CB SER A 6 -23.554 -15.638 -2.672 1.00 0.00 C ATOM 53 OG SER A 6 -24.150 -16.092 -3.875 1.00 0.00 O ATOM 0 H SER A 6 -21.367 -16.169 -3.695 1.00 0.00 H new ATOM 0 HA SER A 6 -22.875 -13.884 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.096 -16.478 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.322 -15.233 -2.012 1.00 0.00 H new ATOM 0 HG SER A 6 -24.820 -16.777 -3.670 1.00 0.00 H new ATOM 59 N GLY A 7 -21.953 -12.477 -1.847 1.00 0.00 N ATOM 60 CA GLY A 7 -21.673 -11.625 -0.706 1.00 0.00 C ATOM 61 C GLY A 7 -22.213 -10.220 -0.886 1.00 0.00 C ATOM 62 O GLY A 7 -22.938 -9.711 -0.031 1.00 0.00 O ATOM 0 H GLY A 7 -21.926 -12.006 -2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.110 -12.067 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.596 -11.579 -0.546 1.00 0.00 H new ATOM 66 N LYS A 8 -21.859 -9.589 -2.001 1.00 0.00 N ATOM 67 CA LYS A 8 -22.312 -8.234 -2.291 1.00 0.00 C ATOM 68 C LYS A 8 -22.213 -7.350 -1.052 1.00 0.00 C ATOM 69 O LYS A 8 -23.101 -6.542 -0.782 1.00 0.00 O ATOM 70 CB LYS A 8 -23.754 -8.255 -2.802 1.00 0.00 C ATOM 71 CG LYS A 8 -24.146 -7.004 -3.569 1.00 0.00 C ATOM 72 CD LYS A 8 -25.299 -7.272 -4.522 1.00 0.00 C ATOM 73 CE LYS A 8 -26.627 -7.344 -3.783 1.00 0.00 C ATOM 74 NZ LYS A 8 -26.753 -8.598 -2.990 1.00 0.00 N ATOM 0 H LYS A 8 -21.259 -9.995 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 8 -21.665 -7.819 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -23.890 -9.124 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -24.429 -8.378 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -24.428 -6.219 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -23.287 -6.636 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -25.342 -6.484 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -25.125 -8.209 -5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -26.721 -6.484 -3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -27.446 -7.284 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -27.724 -8.963 -3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -26.086 -9.308 -3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -26.538 -8.401 -1.992 1.00 0.00 H new ATOM 88 N ALA A 9 -21.127 -7.509 -0.302 1.00 0.00 N ATOM 89 CA ALA A 9 -20.911 -6.723 0.906 1.00 0.00 C ATOM 90 C ALA A 9 -19.824 -5.675 0.693 1.00 0.00 C ATOM 91 O ALA A 9 -19.017 -5.415 1.585 1.00 0.00 O ATOM 92 CB ALA A 9 -20.549 -7.633 2.070 1.00 0.00 C ATOM 0 H ALA A 9 -20.383 -8.175 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 9 -21.839 -6.202 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.390 -7.032 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -21.360 -8.339 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -19.636 -8.180 1.834 1.00 0.00 H new ATOM 98 N GLN A 10 -19.808 -5.079 -0.495 1.00 0.00 N ATOM 99 CA GLN A 10 -18.818 -4.060 -0.825 1.00 0.00 C ATOM 100 C GLN A 10 -18.909 -2.881 0.138 1.00 0.00 C ATOM 101 O GLN A 10 -17.965 -2.593 0.874 1.00 0.00 O ATOM 102 CB GLN A 10 -19.013 -3.576 -2.263 1.00 0.00 C ATOM 103 CG GLN A 10 -18.349 -4.467 -3.300 1.00 0.00 C ATOM 104 CD GLN A 10 -18.646 -5.938 -3.082 1.00 0.00 C ATOM 105 OE1 GLN A 10 -19.707 -6.433 -3.464 1.00 0.00 O ATOM 106 NE2 GLN A 10 -17.707 -6.646 -2.464 1.00 0.00 N ATOM 0 H GLN A 10 -20.469 -5.284 -1.245 1.00 0.00 H new ATOM 0 HA GLN A 10 -17.828 -4.507 -0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -20.080 -3.518 -2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.614 -2.566 -2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -18.688 -4.175 -4.294 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -17.271 -4.310 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.843 -6.195 -2.164 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.850 -7.641 -2.289 1.00 0.00 H new ATOM 115 N LYS A 11 -20.050 -2.201 0.128 1.00 0.00 N ATOM 116 CA LYS A 11 -20.265 -1.053 1.000 1.00 0.00 C ATOM 117 C LYS A 11 -19.934 -1.400 2.448 1.00 0.00 C ATOM 118 O LYS A 11 -19.378 -0.582 3.182 1.00 0.00 O ATOM 119 CB LYS A 11 -21.715 -0.574 0.898 1.00 0.00 C ATOM 120 CG LYS A 11 -21.951 0.417 -0.228 1.00 0.00 C ATOM 121 CD LYS A 11 -21.343 1.774 0.087 1.00 0.00 C ATOM 122 CE LYS A 11 -22.256 2.599 0.981 1.00 0.00 C ATOM 123 NZ LYS A 11 -21.980 2.361 2.425 1.00 0.00 N ATOM 0 H LYS A 11 -20.841 -2.426 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.600 -0.252 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -22.364 -1.437 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -22.004 -0.113 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -21.520 0.030 -1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -23.022 0.528 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -20.379 1.637 0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -21.155 2.314 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -22.125 3.657 0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -23.296 2.353 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.831 1.975 2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.197 1.683 2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.719 3.258 2.881 1.00 0.00 H new ATOM 137 N LEU A 12 -20.277 -2.618 2.853 1.00 0.00 N ATOM 138 CA LEU A 12 -20.014 -3.075 4.213 1.00 0.00 C ATOM 139 C LEU A 12 -18.566 -3.530 4.365 1.00 0.00 C ATOM 140 O LEU A 12 -18.295 -4.603 4.902 1.00 0.00 O ATOM 141 CB LEU A 12 -20.961 -4.218 4.580 1.00 0.00 C ATOM 142 CG LEU A 12 -21.151 -4.479 6.075 1.00 0.00 C ATOM 143 CD1 LEU A 12 -22.205 -3.546 6.650 1.00 0.00 C ATOM 144 CD2 LEU A 12 -21.533 -5.932 6.319 1.00 0.00 C ATOM 0 H LEU A 12 -20.738 -3.307 2.259 1.00 0.00 H new ATOM 0 HA LEU A 12 -20.185 -2.238 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.937 -4.010 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -20.591 -5.132 4.116 1.00 0.00 H new ATOM 0 HG LEU A 12 -20.206 -4.283 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -22.327 -3.746 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -21.891 -2.512 6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -23.154 -3.710 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -21.664 -6.099 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -22.465 -6.155 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.744 -6.584 5.944 1.00 0.00 H new ATOM 156 N ASN A 13 -17.639 -2.705 3.889 1.00 0.00 N ATOM 157 CA ASN A 13 -16.218 -3.022 3.973 1.00 0.00 C ATOM 158 C ASN A 13 -15.491 -2.029 4.874 1.00 0.00 C ATOM 159 O ASN A 13 -14.356 -1.642 4.599 1.00 0.00 O ATOM 160 CB ASN A 13 -15.589 -3.016 2.578 1.00 0.00 C ATOM 161 CG ASN A 13 -15.803 -4.325 1.842 1.00 0.00 C ATOM 162 OD1 ASN A 13 -15.868 -5.391 2.454 1.00 0.00 O ATOM 163 ND2 ASN A 13 -15.913 -4.249 0.520 1.00 0.00 N ATOM 0 H ASN A 13 -17.846 -1.812 3.441 1.00 0.00 H new ATOM 0 HA ASN A 13 -16.119 -4.018 4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.015 -2.200 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.520 -2.822 2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.058 -5.096 -0.029 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.853 -3.343 0.054 1.00 0.00 H new ATOM 170 N GLU A 14 -16.154 -1.622 5.952 1.00 0.00 N ATOM 171 CA GLU A 14 -15.571 -0.674 6.894 1.00 0.00 C ATOM 172 C GLU A 14 -14.611 -1.377 7.850 1.00 0.00 C ATOM 173 O GLU A 14 -14.628 -1.129 9.055 1.00 0.00 O ATOM 174 CB GLU A 14 -16.672 0.033 7.688 1.00 0.00 C ATOM 175 CG GLU A 14 -17.573 -0.917 8.458 1.00 0.00 C ATOM 176 CD GLU A 14 -18.424 -0.205 9.492 1.00 0.00 C ATOM 177 OE1 GLU A 14 -17.924 0.757 10.111 1.00 0.00 O ATOM 178 OE2 GLU A 14 -19.589 -0.612 9.682 1.00 0.00 O ATOM 0 H GLU A 14 -17.094 -1.934 6.194 1.00 0.00 H new ATOM 0 HA GLU A 14 -15.011 0.067 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -16.212 0.731 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -17.281 0.623 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.222 -1.443 7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.961 -1.671 8.953 1.00 0.00 H new ATOM 185 N GLN A 15 -13.777 -2.254 7.302 1.00 0.00 N ATOM 186 CA GLN A 15 -12.811 -2.994 8.106 1.00 0.00 C ATOM 187 C GLN A 15 -11.431 -2.971 7.457 1.00 0.00 C ATOM 188 O GLN A 15 -11.197 -3.637 6.448 1.00 0.00 O ATOM 189 CB GLN A 15 -13.274 -4.440 8.295 1.00 0.00 C ATOM 190 CG GLN A 15 -12.290 -5.297 9.075 1.00 0.00 C ATOM 191 CD GLN A 15 -12.470 -5.173 10.575 1.00 0.00 C ATOM 192 OE1 GLN A 15 -12.019 -4.205 11.188 1.00 0.00 O ATOM 193 NE2 GLN A 15 -13.131 -6.156 11.175 1.00 0.00 N ATOM 0 H GLN A 15 -13.750 -2.470 6.305 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.742 -2.511 9.081 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.233 -4.441 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.439 -4.891 7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.412 -6.340 8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.273 -5.008 8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.487 -6.939 10.628 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.282 -6.128 12.183 1.00 0.00 H new ATOM 202 N HIS A 16 -10.521 -2.199 8.042 1.00 0.00 N ATOM 203 CA HIS A 16 -9.163 -2.088 7.521 1.00 0.00 C ATOM 204 C HIS A 16 -8.416 -3.410 7.668 1.00 0.00 C ATOM 205 O HIS A 16 -7.948 -3.982 6.684 1.00 0.00 O ATOM 206 CB HIS A 16 -8.405 -0.976 8.246 1.00 0.00 C ATOM 207 CG HIS A 16 -9.289 0.124 8.747 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.525 1.282 8.036 1.00 0.00 N ATOM 209 CD2 HIS A 16 -9.997 0.238 9.894 1.00 0.00 C ATOM 210 CE1 HIS A 16 -10.339 2.061 8.725 1.00 0.00 C ATOM 211 NE2 HIS A 16 -10.641 1.450 9.857 1.00 0.00 N ATOM 0 H HIS A 16 -10.699 -1.641 8.877 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.225 -1.842 6.461 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.862 -1.407 9.088 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.662 -0.554 7.570 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.046 -0.489 10.691 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.697 3.032 8.416 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.253 1.819 10.585 1.00 0.00 H new ATOM 219 N GLN A 17 -8.307 -3.889 8.903 1.00 0.00 N ATOM 220 CA GLN A 17 -7.615 -5.142 9.178 1.00 0.00 C ATOM 221 C GLN A 17 -7.796 -6.128 8.028 1.00 0.00 C ATOM 222 O GLN A 17 -6.824 -6.687 7.518 1.00 0.00 O ATOM 223 CB GLN A 17 -8.130 -5.759 10.480 1.00 0.00 C ATOM 224 CG GLN A 17 -8.043 -4.822 11.674 1.00 0.00 C ATOM 225 CD GLN A 17 -6.620 -4.401 11.983 1.00 0.00 C ATOM 226 OE1 GLN A 17 -6.022 -4.860 12.956 1.00 0.00 O ATOM 227 NE2 GLN A 17 -6.069 -3.523 11.153 1.00 0.00 N ATOM 0 H GLN A 17 -8.689 -3.428 9.729 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.552 -4.925 9.283 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.168 -6.063 10.342 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.559 -6.662 10.695 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.646 -3.935 11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.471 -5.313 12.548 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.602 -3.169 10.359 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.113 -3.203 11.310 1.00 0.00 H new ATOM 236 N LEU A 18 -9.044 -6.336 7.625 1.00 0.00 N ATOM 237 CA LEU A 18 -9.353 -7.255 6.535 1.00 0.00 C ATOM 238 C LEU A 18 -8.681 -6.809 5.240 1.00 0.00 C ATOM 239 O LEU A 18 -7.946 -7.574 4.615 1.00 0.00 O ATOM 240 CB LEU A 18 -10.866 -7.346 6.332 1.00 0.00 C ATOM 241 CG LEU A 18 -11.340 -8.305 5.239 1.00 0.00 C ATOM 242 CD1 LEU A 18 -10.956 -9.736 5.581 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.845 -8.187 5.042 1.00 0.00 C ATOM 0 H LEU A 18 -9.859 -5.881 8.036 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.968 -8.239 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.321 -7.648 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.242 -6.349 6.101 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.849 -8.032 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.302 -10.404 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.872 -9.810 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.419 -10.021 6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.165 -8.876 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.354 -8.433 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.095 -7.167 4.750 1.00 0.00 H new ATOM 255 N ILE A 19 -8.936 -5.566 4.845 1.00 0.00 N ATOM 256 CA ILE A 19 -8.353 -5.017 3.627 1.00 0.00 C ATOM 257 C ILE A 19 -6.878 -5.387 3.509 1.00 0.00 C ATOM 258 O ILE A 19 -6.465 -6.040 2.550 1.00 0.00 O ATOM 259 CB ILE A 19 -8.492 -3.484 3.577 1.00 0.00 C ATOM 260 CG1 ILE A 19 -9.968 -3.083 3.615 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.820 -2.932 2.329 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.194 -1.648 4.038 1.00 0.00 C ATOM 0 H ILE A 19 -9.542 -4.920 5.351 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.902 -5.450 2.791 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.997 -3.060 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.403 -3.235 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.498 -3.743 4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.927 -1.847 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.762 -3.192 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.290 -3.360 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.263 -1.434 4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.789 -1.496 5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.693 -0.979 3.338 1.00 0.00 H new ATOM 274 N LEU A 20 -6.088 -4.966 4.491 1.00 0.00 N ATOM 275 CA LEU A 20 -4.658 -5.254 4.499 1.00 0.00 C ATOM 276 C LEU A 20 -4.396 -6.719 4.167 1.00 0.00 C ATOM 277 O LEU A 20 -3.544 -7.035 3.336 1.00 0.00 O ATOM 278 CB LEU A 20 -4.057 -4.913 5.863 1.00 0.00 C ATOM 279 CG LEU A 20 -4.134 -3.444 6.283 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.187 -3.324 7.798 1.00 0.00 C ATOM 281 CD2 LEU A 20 -2.950 -2.668 5.725 1.00 0.00 C ATOM 0 H LEU A 20 -6.414 -4.424 5.292 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.184 -4.637 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.561 -5.513 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.010 -5.215 5.862 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.049 -3.016 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.241 -2.272 8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.067 -3.846 8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.290 -3.768 8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.021 -1.625 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.023 -3.097 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.957 -2.726 4.637 1.00 0.00 H new ATOM 293 N SER A 21 -5.135 -7.610 4.819 1.00 0.00 N ATOM 294 CA SER A 21 -4.981 -9.043 4.594 1.00 0.00 C ATOM 295 C SER A 21 -5.311 -9.404 3.149 1.00 0.00 C ATOM 296 O SER A 21 -4.638 -10.232 2.535 1.00 0.00 O ATOM 297 CB SER A 21 -5.883 -9.830 5.547 1.00 0.00 C ATOM 298 OG SER A 21 -5.956 -11.194 5.170 1.00 0.00 O ATOM 0 H SER A 21 -5.847 -7.365 5.508 1.00 0.00 H new ATOM 0 HA SER A 21 -3.941 -9.307 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.500 -9.751 6.564 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.883 -9.396 5.548 1.00 0.00 H new ATOM 0 HG SER A 21 -6.537 -11.676 5.795 1.00 0.00 H new ATOM 304 N LYS A 22 -6.352 -8.778 2.612 1.00 0.00 N ATOM 305 CA LYS A 22 -6.773 -9.031 1.239 1.00 0.00 C ATOM 306 C LYS A 22 -5.659 -8.684 0.256 1.00 0.00 C ATOM 307 O LYS A 22 -5.490 -9.350 -0.766 1.00 0.00 O ATOM 308 CB LYS A 22 -8.028 -8.219 0.911 1.00 0.00 C ATOM 309 CG LYS A 22 -9.321 -8.915 1.298 1.00 0.00 C ATOM 310 CD LYS A 22 -10.532 -8.216 0.702 1.00 0.00 C ATOM 311 CE LYS A 22 -11.818 -8.963 1.015 1.00 0.00 C ATOM 312 NZ LYS A 22 -12.977 -8.414 0.259 1.00 0.00 N ATOM 0 H LYS A 22 -6.921 -8.091 3.107 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.000 -10.093 1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.974 -7.259 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.045 -8.008 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.294 -9.950 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.411 -8.938 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.596 -7.200 1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.411 -8.135 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.693 -10.018 0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.021 -8.904 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.835 -8.951 0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.112 -7.414 0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.795 -8.494 -0.762 1.00 0.00 H new ATOM 326 N LEU A 23 -4.902 -7.640 0.572 1.00 0.00 N ATOM 327 CA LEU A 23 -3.802 -7.205 -0.282 1.00 0.00 C ATOM 328 C LEU A 23 -2.674 -8.232 -0.282 1.00 0.00 C ATOM 329 O LEU A 23 -2.145 -8.590 -1.335 1.00 0.00 O ATOM 330 CB LEU A 23 -3.273 -5.848 0.184 1.00 0.00 C ATOM 331 CG LEU A 23 -4.324 -4.764 0.424 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.712 -3.579 1.154 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.942 -4.320 -0.894 1.00 0.00 C ATOM 0 H LEU A 23 -5.029 -7.078 1.414 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.181 -7.109 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.715 -5.996 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.565 -5.482 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.113 -5.182 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.475 -2.818 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.318 -3.908 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.903 -3.160 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.688 -3.548 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.164 -3.921 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.417 -5.173 -1.378 1.00 0.00 H new ATOM 345 N LEU A 24 -2.311 -8.703 0.906 1.00 0.00 N ATOM 346 CA LEU A 24 -1.246 -9.691 1.045 1.00 0.00 C ATOM 347 C LEU A 24 -1.532 -10.923 0.192 1.00 0.00 C ATOM 348 O LEU A 24 -0.629 -11.480 -0.433 1.00 0.00 O ATOM 349 CB LEU A 24 -1.088 -10.097 2.511 1.00 0.00 C ATOM 350 CG LEU A 24 -0.552 -9.018 3.452 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.803 -9.403 4.902 1.00 0.00 C ATOM 352 CD2 LEU A 24 0.932 -8.786 3.209 1.00 0.00 C ATOM 0 H LEU A 24 -2.738 -8.417 1.787 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.317 -9.239 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.058 -10.426 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.420 -10.957 2.559 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.082 -8.088 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.415 -8.624 5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.874 -9.517 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.300 -10.345 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.296 -8.015 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.479 -9.712 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.086 -8.465 2.179 1.00 0.00 H new ATOM 364 N ARG A 25 -2.793 -11.340 0.169 1.00 0.00 N ATOM 365 CA ARG A 25 -3.198 -12.505 -0.609 1.00 0.00 C ATOM 366 C ARG A 25 -2.669 -12.417 -2.037 1.00 0.00 C ATOM 367 O ARG A 25 -2.346 -13.432 -2.653 1.00 0.00 O ATOM 368 CB ARG A 25 -4.723 -12.629 -0.625 1.00 0.00 C ATOM 369 CG ARG A 25 -5.306 -13.158 0.675 1.00 0.00 C ATOM 370 CD ARG A 25 -6.820 -13.277 0.599 1.00 0.00 C ATOM 371 NE ARG A 25 -7.240 -14.362 -0.284 1.00 0.00 N ATOM 372 CZ ARG A 25 -8.440 -14.929 -0.232 1.00 0.00 C ATOM 373 NH1 ARG A 25 -9.334 -14.517 0.656 1.00 0.00 N ATOM 374 NH2 ARG A 25 -8.747 -15.911 -1.070 1.00 0.00 N ATOM 0 H ARG A 25 -3.552 -10.889 0.680 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.773 -13.391 -0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.156 -11.651 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.017 -13.290 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.874 -14.134 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.033 -12.493 1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.221 -13.447 1.598 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.240 -12.336 0.243 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.575 -14.703 -0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.101 -13.763 1.302 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.255 -14.954 0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.061 -16.231 -1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.669 -16.346 -1.030 1.00 0.00 H new ATOM 388 N GLU A 26 -2.583 -11.196 -2.556 1.00 0.00 N ATOM 389 CA GLU A 26 -2.094 -10.977 -3.913 1.00 0.00 C ATOM 390 C GLU A 26 -0.637 -11.409 -4.042 1.00 0.00 C ATOM 391 O GLU A 26 0.206 -11.039 -3.225 1.00 0.00 O ATOM 392 CB GLU A 26 -2.236 -9.503 -4.297 1.00 0.00 C ATOM 393 CG GLU A 26 -3.677 -9.020 -4.337 1.00 0.00 C ATOM 394 CD GLU A 26 -4.471 -9.646 -5.467 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.003 -9.591 -6.623 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.561 -10.191 -5.194 1.00 0.00 O ATOM 0 H GLU A 26 -2.845 -10.345 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.696 -11.582 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.678 -8.895 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.782 -9.346 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.160 -9.251 -3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.690 -7.936 -4.446 1.00 0.00 H new ATOM 403 N GLU A 27 -0.348 -12.195 -5.074 1.00 0.00 N ATOM 404 CA GLU A 27 1.007 -12.679 -5.310 1.00 0.00 C ATOM 405 C GLU A 27 2.015 -11.536 -5.227 1.00 0.00 C ATOM 406 O GLU A 27 3.193 -11.752 -4.940 1.00 0.00 O ATOM 407 CB GLU A 27 1.100 -13.358 -6.678 1.00 0.00 C ATOM 408 CG GLU A 27 0.812 -14.849 -6.639 1.00 0.00 C ATOM 409 CD GLU A 27 0.692 -15.457 -8.023 1.00 0.00 C ATOM 410 OE1 GLU A 27 -0.341 -15.225 -8.685 1.00 0.00 O ATOM 411 OE2 GLU A 27 1.632 -16.163 -8.443 1.00 0.00 O ATOM 0 H GLU A 27 -1.034 -12.510 -5.760 1.00 0.00 H new ATOM 0 HA GLU A 27 1.245 -13.407 -4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.398 -12.879 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.099 -13.200 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.608 -15.355 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.113 -15.022 -6.089 1.00 0.00 H new ATOM 418 N ASP A 28 1.544 -10.321 -5.481 1.00 0.00 N ATOM 419 CA ASP A 28 2.403 -9.143 -5.436 1.00 0.00 C ATOM 420 C ASP A 28 2.767 -8.791 -3.996 1.00 0.00 C ATOM 421 O ASP A 28 3.866 -8.310 -3.724 1.00 0.00 O ATOM 422 CB ASP A 28 1.710 -7.954 -6.104 1.00 0.00 C ATOM 423 CG ASP A 28 1.310 -8.248 -7.537 1.00 0.00 C ATOM 424 OD1 ASP A 28 0.562 -9.223 -7.755 1.00 0.00 O ATOM 425 OD2 ASP A 28 1.746 -7.503 -8.440 1.00 0.00 O ATOM 0 H ASP A 28 0.572 -10.125 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 28 3.320 -9.372 -5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.823 -7.685 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.376 -7.091 -6.085 1.00 0.00 H new ATOM 430 N ASN A 29 1.836 -9.034 -3.079 1.00 0.00 N ATOM 431 CA ASN A 29 2.059 -8.742 -1.668 1.00 0.00 C ATOM 432 C ASN A 29 2.067 -10.024 -0.842 1.00 0.00 C ATOM 433 O ASN A 29 1.761 -10.010 0.351 1.00 0.00 O ATOM 434 CB ASN A 29 0.978 -7.793 -1.146 1.00 0.00 C ATOM 435 CG ASN A 29 0.739 -6.620 -2.078 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.378 -6.504 -3.124 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.184 -5.743 -1.700 1.00 0.00 N ATOM 0 H ASN A 29 0.920 -9.432 -3.288 1.00 0.00 H new ATOM 0 HA ASN A 29 3.033 -8.262 -1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.047 -8.344 -1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.269 -7.420 -0.164 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.388 -4.933 -2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.689 -5.880 -0.824 1.00 0.00 H new ATOM 444 N LYS A 30 2.420 -11.133 -1.483 1.00 0.00 N ATOM 445 CA LYS A 30 2.471 -12.425 -0.809 1.00 0.00 C ATOM 446 C LYS A 30 3.824 -12.633 -0.135 1.00 0.00 C ATOM 447 O LYS A 30 3.931 -13.367 0.848 1.00 0.00 O ATOM 448 CB LYS A 30 2.207 -13.555 -1.807 1.00 0.00 C ATOM 449 CG LYS A 30 0.733 -13.870 -1.992 1.00 0.00 C ATOM 450 CD LYS A 30 0.526 -15.283 -2.511 1.00 0.00 C ATOM 451 CE LYS A 30 0.573 -16.303 -1.384 1.00 0.00 C ATOM 452 NZ LYS A 30 0.049 -17.629 -1.814 1.00 0.00 N ATOM 0 H LYS A 30 2.675 -11.163 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 30 1.696 -12.438 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.636 -13.284 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.723 -14.454 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.212 -13.750 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.292 -13.157 -2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.435 -15.347 -3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.294 -15.517 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.600 -16.414 -1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.011 -15.938 -0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.098 -18.296 -1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.939 -17.529 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.622 -17.989 -2.603 1.00 0.00 H new ATOM 466 N TYR A 31 4.852 -11.983 -0.668 1.00 0.00 N ATOM 467 CA TYR A 31 6.197 -12.098 -0.118 1.00 0.00 C ATOM 468 C TYR A 31 6.821 -10.721 0.090 1.00 0.00 C ATOM 469 O TYR A 31 6.456 -9.754 -0.579 1.00 0.00 O ATOM 470 CB TYR A 31 7.080 -12.935 -1.045 1.00 0.00 C ATOM 471 CG TYR A 31 6.419 -14.209 -1.523 1.00 0.00 C ATOM 472 CD1 TYR A 31 5.577 -14.205 -2.629 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.637 -15.415 -0.870 1.00 0.00 C ATOM 474 CE1 TYR A 31 4.971 -15.365 -3.069 1.00 0.00 C ATOM 475 CE2 TYR A 31 6.036 -16.581 -1.304 1.00 0.00 C ATOM 476 CZ TYR A 31 5.204 -16.551 -2.403 1.00 0.00 C ATOM 477 OH TYR A 31 4.603 -17.710 -2.839 1.00 0.00 O ATOM 0 H TYR A 31 4.780 -11.371 -1.481 1.00 0.00 H new ATOM 0 HA TYR A 31 6.124 -12.594 0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.358 -12.333 -1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.003 -13.188 -0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.394 -13.279 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.287 -15.442 -0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.318 -15.344 -3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.217 -17.511 -0.785 1.00 0.00 H new ATOM 0 HH TYR A 31 4.872 -18.455 -2.262 1.00 0.00 H new ATOM 487 N CYS A 32 7.764 -10.641 1.023 1.00 0.00 N ATOM 488 CA CYS A 32 8.440 -9.384 1.320 1.00 0.00 C ATOM 489 C CYS A 32 8.774 -8.628 0.037 1.00 0.00 C ATOM 490 O CYS A 32 8.787 -9.205 -1.049 1.00 0.00 O ATOM 491 CB CYS A 32 9.719 -9.646 2.118 1.00 0.00 C ATOM 492 SG CYS A 32 10.413 -8.163 2.918 1.00 0.00 S ATOM 0 H CYS A 32 8.077 -11.432 1.586 1.00 0.00 H new ATOM 0 HA CYS A 32 7.766 -8.770 1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.511 -10.394 2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.470 -10.071 1.452 1.00 0.00 H new ATOM 497 N ALA A 33 9.043 -7.334 0.173 1.00 0.00 N ATOM 498 CA ALA A 33 9.378 -6.499 -0.974 1.00 0.00 C ATOM 499 C ALA A 33 10.889 -6.344 -1.117 1.00 0.00 C ATOM 500 O ALA A 33 11.367 -5.583 -1.958 1.00 0.00 O ATOM 501 CB ALA A 33 8.715 -5.136 -0.847 1.00 0.00 C ATOM 0 H ALA A 33 9.036 -6.841 1.066 1.00 0.00 H new ATOM 0 HA ALA A 33 9.003 -6.990 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.974 -4.523 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.633 -5.260 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.062 -4.646 0.063 1.00 0.00 H new ATOM 507 N ASP A 34 11.634 -7.068 -0.289 1.00 0.00 N ATOM 508 CA ASP A 34 13.091 -7.010 -0.323 1.00 0.00 C ATOM 509 C ASP A 34 13.690 -8.413 -0.342 1.00 0.00 C ATOM 510 O ASP A 34 14.485 -8.749 -1.220 1.00 0.00 O ATOM 511 CB ASP A 34 13.620 -6.232 0.882 1.00 0.00 C ATOM 512 CG ASP A 34 12.931 -4.893 1.055 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.566 -4.276 0.031 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.755 -4.462 2.213 1.00 0.00 O ATOM 0 H ASP A 34 11.253 -7.702 0.414 1.00 0.00 H new ATOM 0 HA ASP A 34 13.389 -6.495 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.482 -6.828 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.692 -6.073 0.766 1.00 0.00 H new ATOM 519 N CYS A 35 13.304 -9.229 0.634 1.00 0.00 N ATOM 520 CA CYS A 35 13.803 -10.595 0.732 1.00 0.00 C ATOM 521 C CYS A 35 12.757 -11.593 0.244 1.00 0.00 C ATOM 522 O CYS A 35 12.928 -12.803 0.382 1.00 0.00 O ATOM 523 CB CYS A 35 14.194 -10.915 2.176 1.00 0.00 C ATOM 524 SG CYS A 35 12.778 -11.095 3.307 1.00 0.00 S ATOM 0 H CYS A 35 12.647 -8.967 1.369 1.00 0.00 H new ATOM 0 HA CYS A 35 14.684 -10.679 0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.774 -11.838 2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.845 -10.124 2.549 1.00 0.00 H new ATOM 529 N GLU A 36 11.674 -11.074 -0.328 1.00 0.00 N ATOM 530 CA GLU A 36 10.601 -11.920 -0.836 1.00 0.00 C ATOM 531 C GLU A 36 10.301 -13.060 0.133 1.00 0.00 C ATOM 532 O GLU A 36 9.941 -14.162 -0.280 1.00 0.00 O ATOM 533 CB GLU A 36 10.973 -12.487 -2.207 1.00 0.00 C ATOM 534 CG GLU A 36 10.642 -11.556 -3.361 1.00 0.00 C ATOM 535 CD GLU A 36 9.204 -11.689 -3.824 1.00 0.00 C ATOM 536 OE1 GLU A 36 8.756 -12.833 -4.046 1.00 0.00 O ATOM 537 OE2 GLU A 36 8.527 -10.649 -3.965 1.00 0.00 O ATOM 0 H GLU A 36 11.517 -10.074 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 36 9.706 -11.306 -0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.041 -12.706 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.451 -13.433 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.828 -10.526 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.310 -11.767 -4.196 1.00 0.00 H new ATOM 544 N ALA A 37 10.453 -12.786 1.425 1.00 0.00 N ATOM 545 CA ALA A 37 10.198 -13.787 2.453 1.00 0.00 C ATOM 546 C ALA A 37 8.798 -14.374 2.312 1.00 0.00 C ATOM 547 O ALA A 37 7.951 -13.826 1.606 1.00 0.00 O ATOM 548 CB ALA A 37 10.382 -13.181 3.837 1.00 0.00 C ATOM 0 H ALA A 37 10.751 -11.879 1.784 1.00 0.00 H new ATOM 0 HA ALA A 37 10.917 -14.596 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.188 -13.940 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.404 -12.816 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.686 -12.352 3.967 1.00 0.00 H new ATOM 554 N LYS A 38 8.559 -15.493 2.989 1.00 0.00 N ATOM 555 CA LYS A 38 7.261 -16.155 2.940 1.00 0.00 C ATOM 556 C LYS A 38 6.406 -15.765 4.141 1.00 0.00 C ATOM 557 O LYS A 38 6.678 -16.174 5.269 1.00 0.00 O ATOM 558 CB LYS A 38 7.442 -17.674 2.902 1.00 0.00 C ATOM 559 CG LYS A 38 6.383 -18.392 2.083 1.00 0.00 C ATOM 560 CD LYS A 38 5.078 -18.523 2.850 1.00 0.00 C ATOM 561 CE LYS A 38 4.001 -19.189 2.009 1.00 0.00 C ATOM 562 NZ LYS A 38 3.484 -18.279 0.949 1.00 0.00 N ATOM 0 H LYS A 38 9.248 -15.960 3.578 1.00 0.00 H new ATOM 0 HA LYS A 38 6.751 -15.833 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.425 -17.904 2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.424 -18.059 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.208 -17.847 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.745 -19.382 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.245 -19.105 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.738 -17.536 3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.405 -20.090 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.179 -19.501 2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.705 -18.745 0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.137 -17.401 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.248 -18.055 0.280 1.00 0.00 H new ATOM 576 N GLY A 39 5.369 -14.970 3.890 1.00 0.00 N ATOM 577 CA GLY A 39 4.489 -14.539 4.961 1.00 0.00 C ATOM 578 C GLY A 39 4.904 -13.206 5.551 1.00 0.00 C ATOM 579 O GLY A 39 5.202 -13.095 6.740 1.00 0.00 O ATOM 0 H GLY A 39 5.123 -14.617 2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.470 -14.463 4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.481 -15.294 5.747 1.00 0.00 H new ATOM 583 N PRO A 40 4.929 -12.164 4.707 1.00 0.00 N ATOM 584 CA PRO A 40 5.310 -10.813 5.130 1.00 0.00 C ATOM 585 C PRO A 40 4.268 -10.175 6.043 1.00 0.00 C ATOM 586 O PRO A 40 3.437 -9.385 5.595 1.00 0.00 O ATOM 587 CB PRO A 40 5.408 -10.043 3.810 1.00 0.00 C ATOM 588 CG PRO A 40 4.508 -10.776 2.876 1.00 0.00 C ATOM 589 CD PRO A 40 4.586 -12.223 3.277 1.00 0.00 C ATOM 0 HA PRO A 40 6.233 -10.813 5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.093 -9.007 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.433 -10.023 3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.485 -10.406 2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.824 -10.640 1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.639 -12.737 3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.343 -12.758 2.704 1.00 0.00 H new ATOM 597 N ARG A 41 4.318 -10.523 7.324 1.00 0.00 N ATOM 598 CA ARG A 41 3.378 -9.985 8.300 1.00 0.00 C ATOM 599 C ARG A 41 3.455 -8.461 8.346 1.00 0.00 C ATOM 600 O ARG A 41 2.590 -7.770 7.807 1.00 0.00 O ATOM 601 CB ARG A 41 3.663 -10.562 9.687 1.00 0.00 C ATOM 602 CG ARG A 41 2.960 -9.820 10.812 1.00 0.00 C ATOM 603 CD ARG A 41 1.448 -9.873 10.655 1.00 0.00 C ATOM 604 NE ARG A 41 0.883 -11.097 11.216 1.00 0.00 N ATOM 605 CZ ARG A 41 -0.341 -11.535 10.940 1.00 0.00 C ATOM 606 NH1 ARG A 41 -1.122 -10.852 10.115 1.00 0.00 N ATOM 607 NH2 ARG A 41 -0.785 -12.658 11.490 1.00 0.00 N ATOM 0 H ARG A 41 5.000 -11.176 7.711 1.00 0.00 H new ATOM 0 HA ARG A 41 2.372 -10.272 7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.357 -11.608 9.706 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.738 -10.541 9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.243 -10.257 11.770 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.289 -8.781 10.826 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.002 -9.009 11.147 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.191 -9.806 9.598 1.00 0.00 H new ATOM 0 HE ARG A 41 1.459 -11.646 11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.784 -9.988 9.691 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.061 -11.190 9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.187 -13.186 12.125 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.725 -12.993 11.277 1.00 0.00 H new ATOM 621 N TRP A 42 4.494 -7.946 8.993 1.00 0.00 N ATOM 622 CA TRP A 42 4.683 -6.504 9.109 1.00 0.00 C ATOM 623 C TRP A 42 4.486 -5.819 7.762 1.00 0.00 C ATOM 624 O TRP A 42 4.419 -6.477 6.724 1.00 0.00 O ATOM 625 CB TRP A 42 6.078 -6.195 9.655 1.00 0.00 C ATOM 626 CG TRP A 42 6.317 -6.753 11.025 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.556 -8.058 11.349 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.339 -6.022 12.256 1.00 0.00 C ATOM 629 NE1 TRP A 42 6.725 -8.182 12.706 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.597 -6.948 13.286 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.167 -4.675 12.589 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.686 -6.568 14.623 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.255 -4.301 13.916 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.513 -5.244 14.919 1.00 0.00 C ATOM 0 H TRP A 42 5.218 -8.504 9.445 1.00 0.00 H new ATOM 0 HA TRP A 42 3.936 -6.119 9.803 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.825 -6.598 8.971 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.219 -5.114 9.681 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.605 -8.873 10.642 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.915 -9.053 13.202 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.969 -3.940 11.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.885 -7.293 15.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.123 -3.263 14.185 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.577 -4.919 15.947 1.00 0.00 H new ATOM 645 N ALA A 43 4.395 -4.493 7.785 1.00 0.00 N ATOM 646 CA ALA A 43 4.209 -3.719 6.564 1.00 0.00 C ATOM 647 C ALA A 43 4.480 -2.238 6.807 1.00 0.00 C ATOM 648 O ALA A 43 3.896 -1.628 7.702 1.00 0.00 O ATOM 649 CB ALA A 43 2.801 -3.918 6.023 1.00 0.00 C ATOM 0 H ALA A 43 4.447 -3.933 8.636 1.00 0.00 H new ATOM 0 HA ALA A 43 4.925 -4.076 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.676 -3.334 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.642 -4.974 5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.075 -3.589 6.767 1.00 0.00 H new ATOM 655 N SER A 44 5.371 -1.665 6.003 1.00 0.00 N ATOM 656 CA SER A 44 5.724 -0.256 6.134 1.00 0.00 C ATOM 657 C SER A 44 4.733 0.624 5.378 1.00 0.00 C ATOM 658 O SER A 44 4.768 0.704 4.150 1.00 0.00 O ATOM 659 CB SER A 44 7.141 -0.013 5.612 1.00 0.00 C ATOM 660 OG SER A 44 7.771 1.040 6.320 1.00 0.00 O ATOM 0 H SER A 44 5.861 -2.155 5.255 1.00 0.00 H new ATOM 0 HA SER A 44 5.684 0.007 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.730 -0.925 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.104 0.229 4.550 1.00 0.00 H new ATOM 0 HG SER A 44 7.214 1.300 7.083 1.00 0.00 H new ATOM 666 N TRP A 45 3.850 1.282 6.121 1.00 0.00 N ATOM 667 CA TRP A 45 2.849 2.157 5.521 1.00 0.00 C ATOM 668 C TRP A 45 3.505 3.367 4.867 1.00 0.00 C ATOM 669 O TRP A 45 3.272 3.651 3.693 1.00 0.00 O ATOM 670 CB TRP A 45 1.844 2.615 6.579 1.00 0.00 C ATOM 671 CG TRP A 45 2.445 3.509 7.622 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.183 3.124 8.704 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.358 4.937 7.680 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.560 4.227 9.433 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.067 5.351 8.825 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.751 5.906 6.876 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.183 6.691 9.183 1.00 0.00 C ATOM 678 CZ3 TRP A 45 1.868 7.236 7.234 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.579 7.619 8.378 1.00 0.00 C ATOM 0 H TRP A 45 3.807 1.226 7.139 1.00 0.00 H new ATOM 0 HA TRP A 45 2.324 1.593 4.751 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.025 3.141 6.088 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.415 1.739 7.065 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.434 2.103 8.951 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.116 4.211 10.288 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.201 5.621 5.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.730 6.988 10.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.403 7.993 6.620 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.652 8.667 8.630 1.00 0.00 H new ATOM 690 N ASN A 46 4.326 4.077 5.634 1.00 0.00 N ATOM 691 CA ASN A 46 5.016 5.258 5.128 1.00 0.00 C ATOM 692 C ASN A 46 5.369 5.091 3.653 1.00 0.00 C ATOM 693 O ASN A 46 5.222 6.021 2.860 1.00 0.00 O ATOM 694 CB ASN A 46 6.284 5.521 5.941 1.00 0.00 C ATOM 695 CG ASN A 46 6.999 6.786 5.505 1.00 0.00 C ATOM 696 OD1 ASN A 46 6.613 7.892 5.883 1.00 0.00 O ATOM 697 ND2 ASN A 46 8.046 6.627 4.704 1.00 0.00 N ATOM 0 H ASN A 46 4.530 3.855 6.608 1.00 0.00 H new ATOM 0 HA ASN A 46 4.345 6.111 5.229 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.026 5.599 6.997 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.960 4.672 5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.566 7.441 4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.330 5.691 4.416 1.00 0.00 H new ATOM 704 N ILE A 47 5.835 3.899 3.293 1.00 0.00 N ATOM 705 CA ILE A 47 6.208 3.610 1.914 1.00 0.00 C ATOM 706 C ILE A 47 5.062 2.939 1.164 1.00 0.00 C ATOM 707 O ILE A 47 4.801 3.249 0.002 1.00 0.00 O ATOM 708 CB ILE A 47 7.451 2.704 1.845 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.651 3.397 2.494 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.761 2.339 0.401 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.752 2.443 2.901 1.00 0.00 C ATOM 0 H ILE A 47 5.963 3.119 3.937 1.00 0.00 H new ATOM 0 HA ILE A 47 6.438 4.565 1.443 1.00 0.00 H new ATOM 0 HB ILE A 47 7.244 1.786 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.056 4.131 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.312 3.945 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.642 1.698 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.912 1.810 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.952 3.247 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.570 3.003 3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.362 1.724 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.118 1.913 2.021 1.00 0.00 H new ATOM 723 N GLY A 48 4.378 2.020 1.839 1.00 0.00 N ATOM 724 CA GLY A 48 3.266 1.321 1.221 1.00 0.00 C ATOM 725 C GLY A 48 3.664 -0.039 0.682 1.00 0.00 C ATOM 726 O GLY A 48 3.275 -0.414 -0.424 1.00 0.00 O ATOM 0 H GLY A 48 4.574 1.747 2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.466 1.199 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.866 1.928 0.409 1.00 0.00 H new ATOM 730 N VAL A 49 4.442 -0.780 1.465 1.00 0.00 N ATOM 731 CA VAL A 49 4.893 -2.106 1.060 1.00 0.00 C ATOM 732 C VAL A 49 4.925 -3.062 2.247 1.00 0.00 C ATOM 733 O VAL A 49 5.200 -2.657 3.377 1.00 0.00 O ATOM 734 CB VAL A 49 6.294 -2.051 0.421 1.00 0.00 C ATOM 735 CG1 VAL A 49 6.262 -1.242 -0.866 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.303 -1.472 1.401 1.00 0.00 C ATOM 0 H VAL A 49 4.773 -0.484 2.383 1.00 0.00 H new ATOM 0 HA VAL A 49 4.179 -2.472 0.322 1.00 0.00 H new ATOM 0 HB VAL A 49 6.603 -3.067 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.260 -1.214 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.570 -1.705 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.932 -0.226 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.287 -1.440 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.001 -0.463 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.345 -2.098 2.293 1.00 0.00 H new ATOM 746 N PHE A 50 4.641 -4.333 1.984 1.00 0.00 N ATOM 747 CA PHE A 50 4.636 -5.348 3.031 1.00 0.00 C ATOM 748 C PHE A 50 6.016 -5.984 3.178 1.00 0.00 C ATOM 749 O PHE A 50 6.530 -6.599 2.244 1.00 0.00 O ATOM 750 CB PHE A 50 3.596 -6.426 2.720 1.00 0.00 C ATOM 751 CG PHE A 50 2.185 -5.912 2.708 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.455 -5.825 3.883 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.588 -5.515 1.522 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.156 -5.352 3.875 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.290 -5.040 1.508 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.427 -4.960 2.686 1.00 0.00 C ATOM 0 H PHE A 50 4.411 -4.685 1.055 1.00 0.00 H new ATOM 0 HA PHE A 50 4.376 -4.863 3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.822 -6.868 1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.678 -7.223 3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.906 -6.130 4.816 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.143 -5.577 0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.402 -5.289 4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.163 -4.732 0.577 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.442 -4.591 2.677 1.00 0.00 H new ATOM 766 N ILE A 51 6.609 -5.829 4.357 1.00 0.00 N ATOM 767 CA ILE A 51 7.928 -6.388 4.627 1.00 0.00 C ATOM 768 C ILE A 51 7.905 -7.277 5.866 1.00 0.00 C ATOM 769 O ILE A 51 7.069 -7.103 6.753 1.00 0.00 O ATOM 770 CB ILE A 51 8.979 -5.280 4.823 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.508 -4.281 5.881 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.256 -4.573 3.504 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.569 -3.279 6.281 1.00 0.00 C ATOM 0 H ILE A 51 6.197 -5.321 5.140 1.00 0.00 H new ATOM 0 HA ILE A 51 8.201 -6.987 3.758 1.00 0.00 H new ATOM 0 HB ILE A 51 9.906 -5.736 5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.638 -3.745 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.184 -4.828 6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.001 -3.792 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.631 -5.293 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.335 -4.126 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.165 -2.602 7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.431 -3.806 6.691 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.877 -2.706 5.406 1.00 0.00 H new ATOM 785 N CYS A 52 8.830 -8.229 5.921 1.00 0.00 N ATOM 786 CA CYS A 52 8.918 -9.145 7.052 1.00 0.00 C ATOM 787 C CYS A 52 9.444 -8.429 8.293 1.00 0.00 C ATOM 788 O CYS A 52 9.732 -7.232 8.255 1.00 0.00 O ATOM 789 CB CYS A 52 9.827 -10.327 6.708 1.00 0.00 C ATOM 790 SG CYS A 52 11.558 -9.862 6.380 1.00 0.00 S ATOM 0 H CYS A 52 9.529 -8.386 5.195 1.00 0.00 H new ATOM 0 HA CYS A 52 7.916 -9.516 7.266 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.803 -11.041 7.531 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.426 -10.837 5.832 1.00 0.00 H new ATOM 795 N ILE A 53 9.567 -9.169 9.389 1.00 0.00 N ATOM 796 CA ILE A 53 10.059 -8.605 10.640 1.00 0.00 C ATOM 797 C ILE A 53 11.536 -8.240 10.535 1.00 0.00 C ATOM 798 O ILE A 53 11.942 -7.140 10.910 1.00 0.00 O ATOM 799 CB ILE A 53 9.867 -9.585 11.813 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.399 -8.972 13.110 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.563 -10.905 11.520 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.572 -7.809 13.612 1.00 0.00 C ATOM 0 H ILE A 53 9.333 -10.161 9.436 1.00 0.00 H new ATOM 0 HA ILE A 53 9.477 -7.704 10.830 1.00 0.00 H new ATOM 0 HB ILE A 53 8.801 -9.778 11.935 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.432 -9.743 13.880 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.424 -8.637 12.950 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.418 -11.587 12.358 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.141 -11.346 10.617 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.629 -10.730 11.375 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.007 -7.424 14.534 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.559 -7.020 12.860 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.553 -8.144 13.804 1.00 0.00 H new ATOM 814 N ARG A 54 12.335 -9.169 10.020 1.00 0.00 N ATOM 815 CA ARG A 54 13.767 -8.945 9.864 1.00 0.00 C ATOM 816 C ARG A 54 14.036 -7.620 9.157 1.00 0.00 C ATOM 817 O ARG A 54 14.685 -6.730 9.708 1.00 0.00 O ATOM 818 CB ARG A 54 14.402 -10.093 9.078 1.00 0.00 C ATOM 819 CG ARG A 54 15.910 -9.970 8.932 1.00 0.00 C ATOM 820 CD ARG A 54 16.287 -9.221 7.663 1.00 0.00 C ATOM 821 NE ARG A 54 15.941 -9.972 6.460 1.00 0.00 N ATOM 822 CZ ARG A 54 16.691 -10.948 5.961 1.00 0.00 C ATOM 823 NH1 ARG A 54 17.824 -11.289 6.560 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.309 -11.586 4.862 1.00 0.00 N ATOM 0 H ARG A 54 12.015 -10.084 9.704 1.00 0.00 H new ATOM 0 HA ARG A 54 14.213 -8.904 10.858 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.169 -11.035 9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.952 -10.136 8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.319 -9.450 9.798 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.357 -10.964 8.916 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.779 -8.257 7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.358 -9.017 7.667 1.00 0.00 H new ATOM 0 HE ARG A 54 15.075 -9.734 5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.121 -10.801 7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.399 -12.039 6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.438 -11.327 4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.886 -12.335 4.480 1.00 0.00 H new ATOM 838 N CYS A 55 13.532 -7.495 7.934 1.00 0.00 N ATOM 839 CA CYS A 55 13.718 -6.280 7.150 1.00 0.00 C ATOM 840 C CYS A 55 13.282 -5.050 7.942 1.00 0.00 C ATOM 841 O CYS A 55 14.005 -4.057 8.013 1.00 0.00 O ATOM 842 CB CYS A 55 12.928 -6.365 5.843 1.00 0.00 C ATOM 843 SG CYS A 55 13.704 -7.414 4.572 1.00 0.00 S ATOM 0 H CYS A 55 12.991 -8.221 7.464 1.00 0.00 H new ATOM 0 HA CYS A 55 14.779 -6.185 6.919 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.931 -6.750 6.058 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.801 -5.360 5.441 1.00 0.00 H new ATOM 848 N ALA A 56 12.095 -5.125 8.535 1.00 0.00 N ATOM 849 CA ALA A 56 11.564 -4.020 9.323 1.00 0.00 C ATOM 850 C ALA A 56 12.606 -3.495 10.305 1.00 0.00 C ATOM 851 O ALA A 56 12.904 -2.302 10.329 1.00 0.00 O ATOM 852 CB ALA A 56 10.309 -4.457 10.065 1.00 0.00 C ATOM 0 H ALA A 56 11.483 -5.939 8.485 1.00 0.00 H new ATOM 0 HA ALA A 56 11.306 -3.210 8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.923 -3.622 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.554 -4.777 9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.550 -5.286 10.731 1.00 0.00 H new ATOM 858 N GLY A 57 13.156 -4.395 11.114 1.00 0.00 N ATOM 859 CA GLY A 57 14.158 -4.002 12.088 1.00 0.00 C ATOM 860 C GLY A 57 15.179 -3.040 11.513 1.00 0.00 C ATOM 861 O GLY A 57 15.620 -2.113 12.194 1.00 0.00 O ATOM 0 H GLY A 57 12.926 -5.389 11.113 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.667 -3.537 12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.669 -4.891 12.458 1.00 0.00 H new ATOM 865 N ILE A 58 15.556 -3.260 10.258 1.00 0.00 N ATOM 866 CA ILE A 58 16.532 -2.405 9.594 1.00 0.00 C ATOM 867 C ILE A 58 15.898 -1.090 9.150 1.00 0.00 C ATOM 868 O ILE A 58 16.527 -0.033 9.213 1.00 0.00 O ATOM 869 CB ILE A 58 17.150 -3.103 8.369 1.00 0.00 C ATOM 870 CG1 ILE A 58 18.046 -4.261 8.813 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.940 -2.106 7.533 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.320 -5.585 8.907 1.00 0.00 C ATOM 0 H ILE A 58 15.201 -4.022 9.681 1.00 0.00 H new ATOM 0 HA ILE A 58 17.319 -2.200 10.320 1.00 0.00 H new ATOM 0 HB ILE A 58 16.345 -3.506 7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.874 -4.359 8.111 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.479 -4.023 9.785 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.371 -2.615 6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.277 -1.311 7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.739 -1.677 8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.017 -6.360 9.227 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.509 -5.505 9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.911 -5.846 7.931 1.00 0.00 H new ATOM 884 N HIS A 59 14.649 -1.163 8.701 1.00 0.00 N ATOM 885 CA HIS A 59 13.929 0.022 8.249 1.00 0.00 C ATOM 886 C HIS A 59 13.849 1.066 9.359 1.00 0.00 C ATOM 887 O HIS A 59 14.079 2.252 9.125 1.00 0.00 O ATOM 888 CB HIS A 59 12.522 -0.357 7.786 1.00 0.00 C ATOM 889 CG HIS A 59 12.442 -0.699 6.330 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.834 0.115 5.398 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.899 -1.774 5.647 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.919 -0.445 4.205 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.561 -1.592 4.328 1.00 0.00 N ATOM 0 H HIS A 59 14.115 -2.030 8.641 1.00 0.00 H new ATOM 0 HA HIS A 59 14.476 0.452 7.410 1.00 0.00 H new ATOM 0 HB2 HIS A 59 12.173 -1.208 8.370 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.845 0.471 7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.430 -2.618 6.062 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.530 -0.034 3.285 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.772 -2.238 3.567 1.00 0.00 H new ATOM 901 N ARG A 60 13.520 0.616 10.565 1.00 0.00 N ATOM 902 CA ARG A 60 13.407 1.511 11.710 1.00 0.00 C ATOM 903 C ARG A 60 14.650 2.387 11.839 1.00 0.00 C ATOM 904 O ARG A 60 14.550 3.602 12.004 1.00 0.00 O ATOM 905 CB ARG A 60 13.202 0.707 12.995 1.00 0.00 C ATOM 906 CG ARG A 60 12.285 -0.493 12.822 1.00 0.00 C ATOM 907 CD ARG A 60 11.867 -1.072 14.165 1.00 0.00 C ATOM 908 NE ARG A 60 10.832 -0.268 14.809 1.00 0.00 N ATOM 909 CZ ARG A 60 10.284 -0.576 15.979 1.00 0.00 C ATOM 910 NH1 ARG A 60 10.671 -1.665 16.630 1.00 0.00 N ATOM 911 NH2 ARG A 60 9.347 0.206 16.501 1.00 0.00 N ATOM 0 H ARG A 60 13.327 -0.363 10.775 1.00 0.00 H new ATOM 0 HA ARG A 60 12.543 2.156 11.551 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.171 0.364 13.358 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.788 1.362 13.762 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.399 -0.197 12.260 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.793 -1.259 12.236 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.500 -2.089 14.023 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.737 -1.135 14.819 1.00 0.00 H new ATOM 0 HE ARG A 60 10.512 0.576 14.334 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.391 -2.268 16.232 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.249 -1.899 17.528 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.047 1.044 16.004 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.927 -0.032 17.400 1.00 0.00 H new ATOM 925 N ASN A 61 15.820 1.761 11.763 1.00 0.00 N ATOM 926 CA ASN A 61 17.082 2.484 11.872 1.00 0.00 C ATOM 927 C ASN A 61 17.094 3.700 10.951 1.00 0.00 C ATOM 928 O ASN A 61 17.417 4.811 11.374 1.00 0.00 O ATOM 929 CB ASN A 61 18.253 1.561 11.532 1.00 0.00 C ATOM 930 CG ASN A 61 18.523 0.542 12.623 1.00 0.00 C ATOM 931 OD1 ASN A 61 18.366 0.831 13.809 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.931 -0.657 12.224 1.00 0.00 N ATOM 0 H ASN A 61 15.920 0.755 11.626 1.00 0.00 H new ATOM 0 HA ASN A 61 17.187 2.829 12.901 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.043 1.041 10.597 1.00 0.00 H new ATOM 0 HB3 ASN A 61 19.149 2.160 11.369 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.128 -1.384 12.912 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.047 -0.851 11.229 1.00 0.00 H new ATOM 939 N LEU A 62 16.739 3.483 9.689 1.00 0.00 N ATOM 940 CA LEU A 62 16.708 4.561 8.707 1.00 0.00 C ATOM 941 C LEU A 62 16.283 5.875 9.354 1.00 0.00 C ATOM 942 O LEU A 62 16.973 6.888 9.238 1.00 0.00 O ATOM 943 CB LEU A 62 15.753 4.210 7.565 1.00 0.00 C ATOM 944 CG LEU A 62 15.961 2.843 6.912 1.00 0.00 C ATOM 945 CD1 LEU A 62 15.104 2.711 5.663 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.430 2.629 6.578 1.00 0.00 C ATOM 0 H LEU A 62 16.469 2.570 9.322 1.00 0.00 H new ATOM 0 HA LEU A 62 17.714 4.683 8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.732 4.258 7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.843 4.976 6.795 1.00 0.00 H new ATOM 0 HG LEU A 62 15.654 2.074 7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.266 1.732 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.053 2.818 5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.378 3.488 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.559 1.651 6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.763 3.405 5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.022 2.678 7.492 1.00 0.00 H new ATOM 958 N GLY A 63 15.143 5.851 10.038 1.00 0.00 N ATOM 959 CA GLY A 63 14.647 7.046 10.695 1.00 0.00 C ATOM 960 C GLY A 63 13.188 7.316 10.383 1.00 0.00 C ATOM 961 O GLY A 63 12.733 7.089 9.262 1.00 0.00 O ATOM 0 H GLY A 63 14.554 5.025 10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.772 6.943 11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.246 7.902 10.385 1.00 0.00 H new ATOM 965 N VAL A 64 12.452 7.801 11.378 1.00 0.00 N ATOM 966 CA VAL A 64 11.036 8.102 11.205 1.00 0.00 C ATOM 967 C VAL A 64 10.816 9.060 10.040 1.00 0.00 C ATOM 968 O VAL A 64 9.788 9.007 9.364 1.00 0.00 O ATOM 969 CB VAL A 64 10.433 8.716 12.482 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.506 7.728 13.637 1.00 0.00 C ATOM 971 CG2 VAL A 64 11.142 10.015 12.835 1.00 0.00 C ATOM 0 H VAL A 64 12.813 7.994 12.312 1.00 0.00 H new ATOM 0 HA VAL A 64 10.535 7.157 10.994 1.00 0.00 H new ATOM 0 HB VAL A 64 9.383 8.941 12.294 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.075 8.180 14.530 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.948 6.827 13.381 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.547 7.468 13.828 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.703 10.435 13.740 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.201 9.818 13.003 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.031 10.724 12.015 1.00 0.00 H new ATOM 981 N HIS A 65 11.789 9.937 9.811 1.00 0.00 N ATOM 982 CA HIS A 65 11.703 10.908 8.726 1.00 0.00 C ATOM 983 C HIS A 65 11.771 10.214 7.369 1.00 0.00 C ATOM 984 O HIS A 65 11.190 10.684 6.390 1.00 0.00 O ATOM 985 CB HIS A 65 12.827 11.936 8.843 1.00 0.00 C ATOM 986 CG HIS A 65 14.195 11.351 8.668 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.771 10.497 9.585 1.00 0.00 N ATOM 988 CD2 HIS A 65 15.101 11.500 7.674 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.973 10.147 9.163 1.00 0.00 C ATOM 990 NE2 HIS A 65 16.197 10.742 8.005 1.00 0.00 N ATOM 0 H HIS A 65 12.645 9.995 10.362 1.00 0.00 H new ATOM 0 HA HIS A 65 10.744 11.420 8.805 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.675 12.714 8.095 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.769 12.416 9.820 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.984 12.103 6.786 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.656 9.487 9.677 1.00 0.00 H new ATOM 0 HE2 HIS A 65 17.046 10.653 7.447 1.00 0.00 H new ATOM 998 N ILE A 66 12.485 9.094 7.318 1.00 0.00 N ATOM 999 CA ILE A 66 12.629 8.336 6.081 1.00 0.00 C ATOM 1000 C ILE A 66 11.486 7.342 5.909 1.00 0.00 C ATOM 1001 O ILE A 66 10.804 7.335 4.884 1.00 0.00 O ATOM 1002 CB ILE A 66 13.967 7.575 6.040 1.00 0.00 C ATOM 1003 CG1 ILE A 66 15.138 8.559 6.010 1.00 0.00 C ATOM 1004 CG2 ILE A 66 14.013 6.651 4.832 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.408 8.005 6.618 1.00 0.00 C ATOM 0 H ILE A 66 12.972 8.692 8.119 1.00 0.00 H new ATOM 0 HA ILE A 66 12.605 9.057 5.264 1.00 0.00 H new ATOM 0 HB ILE A 66 14.051 6.968 6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.334 8.846 4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.854 9.466 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.965 6.120 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.197 5.931 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.911 7.239 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 66 17.196 8.756 6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.228 7.744 7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.716 7.115 6.069 1.00 0.00 H new ATOM 1017 N SER A 67 11.280 6.504 6.920 1.00 0.00 N ATOM 1018 CA SER A 67 10.220 5.504 6.881 1.00 0.00 C ATOM 1019 C SER A 67 9.822 5.079 8.291 1.00 0.00 C ATOM 1020 O SER A 67 10.629 5.134 9.219 1.00 0.00 O ATOM 1021 CB SER A 67 10.671 4.283 6.077 1.00 0.00 C ATOM 1022 OG SER A 67 9.759 3.209 6.224 1.00 0.00 O ATOM 0 H SER A 67 11.834 6.498 7.777 1.00 0.00 H new ATOM 0 HA SER A 67 9.352 5.950 6.396 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.757 4.549 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.661 3.971 6.409 1.00 0.00 H new ATOM 0 HG SER A 67 9.162 3.178 5.447 1.00 0.00 H new ATOM 1028 N ARG A 68 8.571 4.655 8.443 1.00 0.00 N ATOM 1029 CA ARG A 68 8.064 4.222 9.740 1.00 0.00 C ATOM 1030 C ARG A 68 7.613 2.765 9.688 1.00 0.00 C ATOM 1031 O ARG A 68 6.798 2.385 8.847 1.00 0.00 O ATOM 1032 CB ARG A 68 6.899 5.111 10.179 1.00 0.00 C ATOM 1033 CG ARG A 68 7.332 6.482 10.673 1.00 0.00 C ATOM 1034 CD ARG A 68 6.384 7.017 11.734 1.00 0.00 C ATOM 1035 NE ARG A 68 6.788 8.335 12.215 1.00 0.00 N ATOM 1036 CZ ARG A 68 6.479 9.470 11.597 1.00 0.00 C ATOM 1037 NH1 ARG A 68 5.766 9.446 10.479 1.00 0.00 N ATOM 1038 NH2 ARG A 68 6.883 10.630 12.096 1.00 0.00 N ATOM 0 H ARG A 68 7.891 4.602 7.685 1.00 0.00 H new ATOM 0 HA ARG A 68 8.873 4.309 10.466 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.213 5.236 9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.346 4.606 10.971 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.340 6.421 11.082 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.370 7.177 9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.376 7.074 11.323 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.348 6.321 12.572 1.00 0.00 H new ATOM 0 HE ARG A 68 7.338 8.387 13.073 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.454 8.555 10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.530 10.318 10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.432 10.652 12.955 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.645 11.500 11.620 1.00 0.00 H new ATOM 1052 N VAL A 69 8.151 1.952 10.592 1.00 0.00 N ATOM 1053 CA VAL A 69 7.804 0.537 10.650 1.00 0.00 C ATOM 1054 C VAL A 69 6.777 0.267 11.744 1.00 0.00 C ATOM 1055 O VAL A 69 6.879 0.797 12.851 1.00 0.00 O ATOM 1056 CB VAL A 69 9.048 -0.336 10.902 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.671 -1.809 10.925 1.00 0.00 C ATOM 1058 CG2 VAL A 69 10.111 -0.065 9.848 1.00 0.00 C ATOM 0 H VAL A 69 8.829 2.249 11.294 1.00 0.00 H new ATOM 0 HA VAL A 69 7.376 0.276 9.682 1.00 0.00 H new ATOM 0 HB VAL A 69 9.461 -0.077 11.877 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.563 -2.410 11.104 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.947 -1.987 11.721 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.232 -2.087 9.967 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.983 -0.690 10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.711 -0.295 8.860 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.402 0.985 9.886 1.00 0.00 H new ATOM 1068 N LYS A 70 5.788 -0.561 11.428 1.00 0.00 N ATOM 1069 CA LYS A 70 4.742 -0.905 12.384 1.00 0.00 C ATOM 1070 C LYS A 70 3.965 -2.133 11.922 1.00 0.00 C ATOM 1071 O LYS A 70 3.917 -2.438 10.730 1.00 0.00 O ATOM 1072 CB LYS A 70 3.786 0.276 12.571 1.00 0.00 C ATOM 1073 CG LYS A 70 3.114 0.724 11.284 1.00 0.00 C ATOM 1074 CD LYS A 70 1.721 1.271 11.545 1.00 0.00 C ATOM 1075 CE LYS A 70 1.771 2.702 12.059 1.00 0.00 C ATOM 1076 NZ LYS A 70 2.108 2.759 13.508 1.00 0.00 N ATOM 0 H LYS A 70 5.688 -1.007 10.516 1.00 0.00 H new ATOM 0 HA LYS A 70 5.217 -1.135 13.338 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.019 0.001 13.295 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.337 1.115 12.995 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.722 1.489 10.802 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.052 -0.116 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.136 1.234 10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.211 0.639 12.273 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.511 3.266 11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.807 3.182 11.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.663 3.596 13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.757 1.901 13.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.140 2.819 13.622 1.00 0.00 H new ATOM 1090 N SER A 71 3.356 -2.835 12.873 1.00 0.00 N ATOM 1091 CA SER A 71 2.583 -4.032 12.563 1.00 0.00 C ATOM 1092 C SER A 71 1.353 -3.684 11.731 1.00 0.00 C ATOM 1093 O SER A 71 1.073 -2.513 11.475 1.00 0.00 O ATOM 1094 CB SER A 71 2.158 -4.738 13.852 1.00 0.00 C ATOM 1095 OG SER A 71 2.037 -6.135 13.653 1.00 0.00 O ATOM 0 H SER A 71 3.383 -2.595 13.864 1.00 0.00 H new ATOM 0 HA SER A 71 3.215 -4.703 11.981 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.889 -4.541 14.636 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.206 -4.333 14.195 1.00 0.00 H new ATOM 0 HG SER A 71 1.355 -6.494 14.258 1.00 0.00 H new ATOM 1101 N VAL A 72 0.620 -4.710 11.311 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.581 -4.515 10.509 1.00 0.00 C ATOM 1103 C VAL A 72 -1.840 -4.720 11.344 1.00 0.00 C ATOM 1104 O VAL A 72 -2.821 -3.992 11.197 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.615 -5.476 9.305 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.501 -4.918 8.201 1.00 0.00 C ATOM 1107 CG2 VAL A 72 0.793 -5.734 8.791 1.00 0.00 C ATOM 0 H VAL A 72 0.838 -5.686 11.513 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.554 -3.488 10.144 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.038 -6.426 9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.513 -5.610 7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.515 -4.789 8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.111 -3.955 7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.751 -6.415 7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.245 -4.792 8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.394 -6.180 9.584 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.804 -5.717 12.223 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.943 -6.019 13.083 1.00 0.00 C ATOM 1119 C ASN A 73 -2.726 -5.463 14.487 1.00 0.00 C ATOM 1120 O ASN A 73 -3.575 -4.749 15.022 1.00 0.00 O ATOM 1121 CB ASN A 73 -3.171 -7.530 13.150 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.624 -7.885 13.399 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -5.325 -8.349 12.499 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -5.084 -7.667 14.626 1.00 0.00 N ATOM 0 H ASN A 73 -0.999 -6.329 12.358 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.826 -5.544 12.656 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.843 -7.986 12.216 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.555 -7.953 13.944 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.054 -7.886 14.853 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.467 -7.281 15.341 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.584 -5.794 15.079 1.00 0.00 N ATOM 1132 CA LEU A 74 -1.254 -5.328 16.421 1.00 0.00 C ATOM 1133 C LEU A 74 -1.445 -3.819 16.535 1.00 0.00 C ATOM 1134 O LEU A 74 -2.040 -3.330 17.495 1.00 0.00 O ATOM 1135 CB LEU A 74 0.188 -5.699 16.771 1.00 0.00 C ATOM 1136 CG LEU A 74 0.507 -7.194 16.806 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.007 -7.418 16.927 1.00 0.00 C ATOM 1138 CD2 LEU A 74 -0.229 -7.870 17.953 1.00 0.00 C ATOM 0 H LEU A 74 -0.871 -6.384 14.650 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.929 -5.816 17.125 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.850 -5.224 16.047 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.425 -5.274 17.747 1.00 0.00 H new ATOM 0 HG LEU A 74 0.168 -7.640 15.871 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.214 -8.488 16.950 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.512 -6.969 16.072 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.371 -6.958 17.846 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.010 -8.933 17.962 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.078 -7.421 18.897 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.303 -7.741 17.822 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.937 -3.087 15.549 1.00 0.00 N ATOM 1151 CA ASP A 75 -1.055 -1.634 15.538 1.00 0.00 C ATOM 1152 C ASP A 75 -2.315 -1.197 14.797 1.00 0.00 C ATOM 1153 O ASP A 75 -2.780 -1.882 13.887 1.00 0.00 O ATOM 1154 CB ASP A 75 0.179 -1.007 14.886 1.00 0.00 C ATOM 1155 CG ASP A 75 1.282 -0.724 15.887 1.00 0.00 C ATOM 1156 OD1 ASP A 75 0.967 -0.248 16.997 1.00 0.00 O ATOM 1157 OD2 ASP A 75 2.460 -0.979 15.560 1.00 0.00 O ATOM 0 H ASP A 75 -0.440 -3.476 14.748 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.125 -1.291 16.570 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.557 -1.676 14.113 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.107 -0.078 14.392 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.861 -0.052 15.194 1.00 0.00 N ATOM 1163 CA GLN A 76 -4.068 0.475 14.568 1.00 0.00 C ATOM 1164 C GLN A 76 -3.720 1.398 13.406 1.00 0.00 C ATOM 1165 O GLN A 76 -2.747 2.150 13.467 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.914 1.228 15.597 1.00 0.00 C ATOM 1167 CG GLN A 76 -6.213 1.778 15.031 1.00 0.00 C ATOM 1168 CD GLN A 76 -7.105 2.382 16.097 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -6.803 3.441 16.649 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -8.211 1.711 16.394 1.00 0.00 N ATOM 0 H GLN A 76 -2.487 0.528 15.945 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.643 -0.366 14.180 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.143 0.559 16.426 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.328 2.051 16.005 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.986 2.535 14.281 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.751 0.978 14.523 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.422 0.837 15.912 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.850 2.069 17.104 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.520 1.336 12.347 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.296 2.167 11.170 1.00 0.00 C ATOM 1181 C TRP A 77 -5.480 3.094 10.924 1.00 0.00 C ATOM 1182 O TRP A 77 -6.477 3.051 11.647 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.055 1.290 9.940 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.789 0.491 10.018 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.348 -0.244 11.081 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -1.801 0.349 8.992 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.145 -0.834 10.778 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.788 -0.487 9.502 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.674 0.844 7.691 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.334 -0.835 8.756 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.559 0.498 6.952 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.433 -0.336 7.486 1.00 0.00 C ATOM 0 H TRP A 77 -5.329 0.719 12.280 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.412 2.779 11.351 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.898 0.610 9.817 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.023 1.922 9.053 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.869 -0.346 12.022 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.605 -1.433 11.402 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.434 1.486 7.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.100 -1.477 9.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.450 0.876 5.946 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.292 -0.590 6.883 1.00 0.00 H new ATOM 1203 N THR A 78 -5.367 3.934 9.899 1.00 0.00 N ATOM 1204 CA THR A 78 -6.429 4.873 9.560 1.00 0.00 C ATOM 1205 C THR A 78 -6.656 4.924 8.053 1.00 0.00 C ATOM 1206 O THR A 78 -5.730 4.716 7.269 1.00 0.00 O ATOM 1207 CB THR A 78 -6.108 6.291 10.068 1.00 0.00 C ATOM 1208 OG1 THR A 78 -4.827 6.707 9.583 1.00 0.00 O ATOM 1209 CG2 THR A 78 -6.120 6.337 11.588 1.00 0.00 C ATOM 0 H THR A 78 -4.551 3.983 9.290 1.00 0.00 H new ATOM 0 HA THR A 78 -7.335 4.517 10.050 1.00 0.00 H new ATOM 0 HB THR A 78 -6.875 6.969 9.694 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.631 7.610 9.909 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.891 7.348 11.923 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.106 6.049 11.953 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.372 5.647 11.979 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.892 5.203 7.655 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.240 5.285 6.242 1.00 0.00 C ATOM 1219 C ALA A 79 -7.145 5.988 5.447 1.00 0.00 C ATOM 1220 O ALA A 79 -6.732 5.513 4.389 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.568 6.006 6.065 1.00 0.00 C ATOM 0 H ALA A 79 -8.670 5.376 8.292 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.337 4.269 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.814 6.059 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.351 5.461 6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.491 7.015 6.471 1.00 0.00 H new ATOM 1227 N GLU A 80 -6.680 7.121 5.963 1.00 0.00 N ATOM 1228 CA GLU A 80 -5.633 7.889 5.299 1.00 0.00 C ATOM 1229 C GLU A 80 -4.504 6.977 4.828 1.00 0.00 C ATOM 1230 O GLU A 80 -4.208 6.904 3.636 1.00 0.00 O ATOM 1231 CB GLU A 80 -5.079 8.960 6.242 1.00 0.00 C ATOM 1232 CG GLU A 80 -6.057 10.089 6.521 1.00 0.00 C ATOM 1233 CD GLU A 80 -6.546 10.764 5.255 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -5.822 11.635 4.728 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -7.653 10.421 4.790 1.00 0.00 O ATOM 0 H GLU A 80 -7.011 7.527 6.838 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.072 8.374 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.799 8.492 7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.169 9.377 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.912 9.696 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.578 10.830 7.161 1.00 0.00 H new ATOM 1242 N GLN A 81 -3.877 6.285 5.774 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.780 5.378 5.457 1.00 0.00 C ATOM 1244 C GLN A 81 -3.279 4.179 4.657 1.00 0.00 C ATOM 1245 O GLN A 81 -2.656 3.774 3.675 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.097 4.902 6.740 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.419 6.018 7.518 1.00 0.00 C ATOM 1248 CD GLN A 81 -0.932 5.567 8.881 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -0.524 4.418 9.059 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -0.971 6.470 9.853 1.00 0.00 N ATOM 0 H GLN A 81 -4.110 6.335 6.766 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.057 5.921 4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.838 4.422 7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.356 4.144 6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.575 6.396 6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.117 6.846 7.642 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.316 7.410 9.662 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.655 6.223 10.791 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.403 3.615 5.084 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.985 2.463 4.407 1.00 0.00 C ATOM 1261 C ILE A 82 -5.081 2.700 2.904 1.00 0.00 C ATOM 1262 O ILE A 82 -4.435 2.010 2.115 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.387 2.137 4.955 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.299 1.714 6.423 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -7.040 1.044 4.121 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.438 0.491 6.649 1.00 0.00 C ATOM 0 H ILE A 82 -4.929 3.937 5.896 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.324 1.617 4.598 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.004 3.033 4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.900 2.543 7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.304 1.515 6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.030 0.824 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.132 1.380 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.427 0.144 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.421 0.249 7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.848 -0.351 6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.423 0.692 6.307 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.890 3.680 2.515 1.00 0.00 N ATOM 1279 CA GLN A 83 -6.069 4.009 1.106 1.00 0.00 C ATOM 1280 C GLN A 83 -4.747 3.912 0.352 1.00 0.00 C ATOM 1281 O GLN A 83 -4.694 3.390 -0.763 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.652 5.415 0.958 1.00 0.00 C ATOM 1283 CG GLN A 83 -7.313 5.661 -0.388 1.00 0.00 C ATOM 1284 CD GLN A 83 -8.701 5.058 -0.476 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -9.645 5.550 0.145 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -8.834 3.986 -1.248 1.00 0.00 N ATOM 0 H GLN A 83 -6.432 4.260 3.156 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.765 3.288 0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.384 5.581 1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.856 6.146 1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.375 6.734 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.688 5.242 -1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.025 3.612 -1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.745 3.537 -1.345 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.683 4.418 0.966 1.00 0.00 N ATOM 1296 CA CYS A 84 -2.360 4.389 0.351 1.00 0.00 C ATOM 1297 C CYS A 84 -1.876 2.954 0.170 1.00 0.00 C ATOM 1298 O CYS A 84 -1.472 2.559 -0.923 1.00 0.00 O ATOM 1299 CB CYS A 84 -1.362 5.173 1.205 1.00 0.00 C ATOM 1300 SG CYS A 84 -1.730 6.939 1.336 1.00 0.00 S ATOM 0 H CYS A 84 -3.710 4.853 1.888 1.00 0.00 H new ATOM 0 HA CYS A 84 -2.432 4.855 -0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.340 4.742 2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.364 5.051 0.783 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.672 7.122 2.213 1.00 0.00 H new ATOM 1306 N MET A 85 -1.919 2.180 1.249 1.00 0.00 N ATOM 1307 CA MET A 85 -1.484 0.789 1.209 1.00 0.00 C ATOM 1308 C MET A 85 -1.938 0.114 -0.082 1.00 0.00 C ATOM 1309 O MET A 85 -1.126 -0.447 -0.818 1.00 0.00 O ATOM 1310 CB MET A 85 -2.031 0.025 2.416 1.00 0.00 C ATOM 1311 CG MET A 85 -1.305 0.340 3.714 1.00 0.00 C ATOM 1312 SD MET A 85 0.477 0.094 3.590 1.00 0.00 S ATOM 1313 CE MET A 85 0.544 -1.581 2.957 1.00 0.00 C ATOM 0 H MET A 85 -2.251 2.492 2.162 1.00 0.00 H new ATOM 0 HA MET A 85 -0.395 0.775 1.243 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.089 0.259 2.535 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.961 -1.045 2.221 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.506 1.373 3.997 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.701 -0.291 4.510 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.495 -2.036 3.233 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.274 -2.163 3.381 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.451 -1.564 1.871 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.238 0.173 -0.350 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.798 -0.433 -1.552 1.00 0.00 C ATOM 1325 C GLN A 86 -3.255 0.243 -2.806 1.00 0.00 C ATOM 1326 O GLN A 86 -2.732 -0.419 -3.703 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.325 -0.342 -1.530 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.952 -0.927 -0.274 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.998 0.065 0.871 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -6.636 1.113 0.775 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.319 -0.262 1.965 1.00 0.00 N ATOM 0 H GLN A 86 -3.923 0.634 0.249 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.503 -1.482 -1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.620 0.704 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.724 -0.862 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.964 -1.262 -0.500 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.386 -1.806 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.804 -1.141 2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.313 0.366 2.768 1.00 0.00 H new ATOM 1340 N ASP A 87 -3.382 1.564 -2.863 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.903 2.330 -4.008 1.00 0.00 C ATOM 1342 C ASP A 87 -1.454 1.978 -4.328 1.00 0.00 C ATOM 1343 O ASP A 87 -1.159 1.423 -5.386 1.00 0.00 O ATOM 1344 CB ASP A 87 -3.029 3.829 -3.734 1.00 0.00 C ATOM 1345 CG ASP A 87 -4.367 4.388 -4.176 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -5.404 3.927 -3.655 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -4.377 5.288 -5.042 1.00 0.00 O ATOM 0 H ASP A 87 -3.813 2.127 -2.130 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.519 2.074 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.896 4.013 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.229 4.358 -4.251 1.00 0.00 H new ATOM 1352 N MET A 88 -0.553 2.308 -3.408 1.00 0.00 N ATOM 1353 CA MET A 88 0.866 2.027 -3.594 1.00 0.00 C ATOM 1354 C MET A 88 1.115 0.524 -3.683 1.00 0.00 C ATOM 1355 O MET A 88 1.384 -0.007 -4.759 1.00 0.00 O ATOM 1356 CB MET A 88 1.680 2.624 -2.444 1.00 0.00 C ATOM 1357 CG MET A 88 3.182 2.583 -2.678 1.00 0.00 C ATOM 1358 SD MET A 88 3.796 4.059 -3.512 1.00 0.00 S ATOM 1359 CE MET A 88 5.254 3.408 -4.323 1.00 0.00 C ATOM 0 H MET A 88 -0.780 2.770 -2.527 1.00 0.00 H new ATOM 0 HA MET A 88 1.183 2.486 -4.531 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.372 3.658 -2.290 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.448 2.083 -1.526 1.00 0.00 H new ATOM 0 HG2 MET A 88 3.692 2.473 -1.721 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.429 1.704 -3.274 1.00 0.00 H new ATOM 0 HE1 MET A 88 5.716 4.191 -4.925 1.00 0.00 H new ATOM 0 HE2 MET A 88 5.964 3.061 -3.572 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.971 2.575 -4.966 1.00 0.00 H new ATOM 1369 N GLY A 89 1.025 -0.155 -2.543 1.00 0.00 N ATOM 1370 CA GLY A 89 1.244 -1.589 -2.515 1.00 0.00 C ATOM 1371 C GLY A 89 2.575 -1.984 -3.124 1.00 0.00 C ATOM 1372 O GLY A 89 3.381 -1.126 -3.482 1.00 0.00 O ATOM 0 H GLY A 89 0.804 0.263 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.201 -1.940 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.439 -2.087 -3.055 1.00 0.00 H new ATOM 1376 N ASN A 90 2.806 -3.288 -3.242 1.00 0.00 N ATOM 1377 CA ASN A 90 4.050 -3.795 -3.810 1.00 0.00 C ATOM 1378 C ASN A 90 4.127 -3.496 -5.304 1.00 0.00 C ATOM 1379 O ASN A 90 5.207 -3.268 -5.849 1.00 0.00 O ATOM 1380 CB ASN A 90 4.166 -5.302 -3.573 1.00 0.00 C ATOM 1381 CG ASN A 90 4.024 -5.670 -2.109 1.00 0.00 C ATOM 1382 OD1 ASN A 90 2.970 -5.466 -1.506 1.00 0.00 O ATOM 1383 ND2 ASN A 90 5.087 -6.214 -1.529 1.00 0.00 N ATOM 0 H ASN A 90 2.149 -4.012 -2.952 1.00 0.00 H new ATOM 0 HA ASN A 90 4.879 -3.291 -3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.399 -5.818 -4.150 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.131 -5.652 -3.941 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.050 -6.481 -0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.940 -6.365 -2.067 1.00 0.00 H new ATOM 1390 N THR A 91 2.972 -3.499 -5.963 1.00 0.00 N ATOM 1391 CA THR A 91 2.907 -3.230 -7.394 1.00 0.00 C ATOM 1392 C THR A 91 3.678 -1.963 -7.750 1.00 0.00 C ATOM 1393 O THR A 91 4.750 -2.025 -8.352 1.00 0.00 O ATOM 1394 CB THR A 91 1.451 -3.082 -7.873 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.671 -4.193 -7.417 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.386 -2.999 -9.390 1.00 0.00 C ATOM 0 H THR A 91 2.068 -3.685 -5.528 1.00 0.00 H new ATOM 0 HA THR A 91 3.362 -4.083 -7.897 1.00 0.00 H new ATOM 0 HB THR A 91 1.047 -2.159 -7.457 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.254 -4.091 -7.724 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.348 -2.895 -9.705 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.957 -2.136 -9.732 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.807 -3.907 -9.822 1.00 0.00 H new ATOM 1404 N LYS A 92 3.125 -0.815 -7.374 1.00 0.00 N ATOM 1405 CA LYS A 92 3.761 0.468 -7.652 1.00 0.00 C ATOM 1406 C LYS A 92 5.145 0.539 -7.014 1.00 0.00 C ATOM 1407 O LYS A 92 6.093 1.035 -7.620 1.00 0.00 O ATOM 1408 CB LYS A 92 2.890 1.615 -7.135 1.00 0.00 C ATOM 1409 CG LYS A 92 1.934 2.169 -8.176 1.00 0.00 C ATOM 1410 CD LYS A 92 1.405 3.536 -7.776 1.00 0.00 C ATOM 1411 CE LYS A 92 0.038 3.434 -7.115 1.00 0.00 C ATOM 1412 NZ LYS A 92 -0.597 4.770 -6.945 1.00 0.00 N ATOM 0 H LYS A 92 2.238 -0.746 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 92 3.873 0.563 -8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.316 1.266 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.535 2.419 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.443 2.242 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.100 1.480 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.107 4.013 -7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.337 4.173 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.610 2.798 -7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.140 2.954 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.526 4.658 -6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.009 5.369 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.718 5.218 -7.876 1.00 0.00 H new ATOM 1426 N ALA A 93 5.252 0.038 -5.787 1.00 0.00 N ATOM 1427 CA ALA A 93 6.520 0.041 -5.069 1.00 0.00 C ATOM 1428 C ALA A 93 7.643 -0.520 -5.935 1.00 0.00 C ATOM 1429 O ALA A 93 8.769 -0.024 -5.906 1.00 0.00 O ATOM 1430 CB ALA A 93 6.398 -0.755 -3.778 1.00 0.00 C ATOM 0 H ALA A 93 4.476 -0.375 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 93 6.767 1.074 -4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.353 -0.744 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.631 -0.308 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.123 -1.784 -4.010 1.00 0.00 H new ATOM 1436 N ARG A 94 7.329 -1.557 -6.704 1.00 0.00 N ATOM 1437 CA ARG A 94 8.312 -2.187 -7.577 1.00 0.00 C ATOM 1438 C ARG A 94 8.570 -1.330 -8.813 1.00 0.00 C ATOM 1439 O ARG A 94 9.714 -1.160 -9.236 1.00 0.00 O ATOM 1440 CB ARG A 94 7.836 -3.578 -7.998 1.00 0.00 C ATOM 1441 CG ARG A 94 7.690 -4.549 -6.837 1.00 0.00 C ATOM 1442 CD ARG A 94 6.731 -5.680 -7.174 1.00 0.00 C ATOM 1443 NE ARG A 94 7.384 -6.745 -7.930 1.00 0.00 N ATOM 1444 CZ ARG A 94 6.956 -8.002 -7.949 1.00 0.00 C ATOM 1445 NH1 ARG A 94 5.880 -8.350 -7.256 1.00 0.00 N ATOM 1446 NH2 ARG A 94 7.604 -8.915 -8.661 1.00 0.00 N ATOM 0 H ARG A 94 6.401 -1.979 -6.740 1.00 0.00 H new ATOM 0 HA ARG A 94 9.245 -2.283 -7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.876 -3.486 -8.507 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.541 -3.991 -8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.666 -4.962 -6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.330 -4.015 -5.958 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.317 -6.091 -6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.895 -5.286 -7.751 1.00 0.00 H new ATOM 0 HE ARG A 94 8.215 -6.511 -8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.379 -7.651 -6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.553 -9.316 -7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.432 -8.652 -9.195 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.274 -9.880 -8.674 1.00 0.00 H new ATOM 1460 N LEU A 95 7.500 -0.794 -9.388 1.00 0.00 N ATOM 1461 CA LEU A 95 7.609 0.045 -10.576 1.00 0.00 C ATOM 1462 C LEU A 95 8.246 1.389 -10.237 1.00 0.00 C ATOM 1463 O LEU A 95 8.498 2.210 -11.121 1.00 0.00 O ATOM 1464 CB LEU A 95 6.229 0.265 -11.199 1.00 0.00 C ATOM 1465 CG LEU A 95 5.380 -0.990 -11.408 1.00 0.00 C ATOM 1466 CD1 LEU A 95 3.986 -0.616 -11.889 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.053 -1.930 -12.398 1.00 0.00 C ATOM 0 H LEU A 95 6.546 -0.925 -9.051 1.00 0.00 H new ATOM 0 HA LEU A 95 8.247 -0.468 -11.295 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.672 0.955 -10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.362 0.755 -12.164 1.00 0.00 H new ATOM 0 HG LEU A 95 5.287 -1.507 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.396 -1.521 -12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.503 0.018 -11.146 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.059 -0.077 -12.834 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.435 -2.818 -12.535 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.176 -1.423 -13.355 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.030 -2.224 -12.014 1.00 0.00 H new ATOM 1479 N LEU A 96 8.507 1.607 -8.953 1.00 0.00 N ATOM 1480 CA LEU A 96 9.118 2.850 -8.497 1.00 0.00 C ATOM 1481 C LEU A 96 10.509 2.596 -7.925 1.00 0.00 C ATOM 1482 O LEU A 96 11.505 3.109 -8.437 1.00 0.00 O ATOM 1483 CB LEU A 96 8.235 3.518 -7.441 1.00 0.00 C ATOM 1484 CG LEU A 96 8.477 5.010 -7.209 1.00 0.00 C ATOM 1485 CD1 LEU A 96 9.924 5.260 -6.814 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.116 5.809 -8.452 1.00 0.00 C ATOM 0 H LEU A 96 8.305 0.939 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 96 9.214 3.515 -9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.193 3.380 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.377 2.996 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 96 7.836 5.340 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.078 6.327 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.149 4.718 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.583 4.914 -7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.295 6.868 -8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.730 5.477 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.064 5.655 -8.691 1.00 0.00 H new ATOM 1498 N TYR A 97 10.571 1.800 -6.863 1.00 0.00 N ATOM 1499 CA TYR A 97 11.840 1.478 -6.222 1.00 0.00 C ATOM 1500 C TYR A 97 12.616 0.448 -7.038 1.00 0.00 C ATOM 1501 O TYR A 97 13.800 0.629 -7.319 1.00 0.00 O ATOM 1502 CB TYR A 97 11.601 0.949 -4.807 1.00 0.00 C ATOM 1503 CG TYR A 97 11.064 1.993 -3.854 1.00 0.00 C ATOM 1504 CD1 TYR A 97 11.910 2.923 -3.262 1.00 0.00 C ATOM 1505 CD2 TYR A 97 9.710 2.050 -3.545 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.423 3.877 -2.390 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.215 3.002 -2.675 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.075 3.913 -2.100 1.00 0.00 C ATOM 1509 OH TYR A 97 9.587 4.863 -1.232 1.00 0.00 O ATOM 0 H TYR A 97 9.757 1.366 -6.428 1.00 0.00 H new ATOM 0 HA TYR A 97 12.432 2.392 -6.166 1.00 0.00 H new ATOM 0 HB2 TYR A 97 10.900 0.116 -4.853 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.538 0.556 -4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 97 12.966 2.899 -3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.033 1.338 -3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.095 4.591 -1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.160 3.032 -2.447 1.00 0.00 H new ATOM 0 HH TYR A 97 8.664 5.085 -1.475 1.00 0.00 H new ATOM 1519 N GLU A 98 11.938 -0.632 -7.414 1.00 0.00 N ATOM 1520 CA GLU A 98 12.564 -1.691 -8.196 1.00 0.00 C ATOM 1521 C GLU A 98 12.524 -1.363 -9.686 1.00 0.00 C ATOM 1522 O GLU A 98 12.367 -2.251 -10.524 1.00 0.00 O ATOM 1523 CB GLU A 98 11.864 -3.027 -7.938 1.00 0.00 C ATOM 1524 CG GLU A 98 12.086 -3.570 -6.537 1.00 0.00 C ATOM 1525 CD GLU A 98 11.345 -4.870 -6.290 1.00 0.00 C ATOM 1526 OE1 GLU A 98 11.389 -5.755 -7.170 1.00 0.00 O ATOM 1527 OE2 GLU A 98 10.721 -5.002 -5.216 1.00 0.00 O ATOM 0 H GLU A 98 10.957 -0.796 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 98 13.606 -1.769 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.794 -2.905 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.219 -3.759 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.153 -3.728 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.762 -2.827 -5.808 1.00 0.00 H new ATOM 1534 N ALA A 99 12.665 -0.081 -10.008 1.00 0.00 N ATOM 1535 CA ALA A 99 12.647 0.365 -11.395 1.00 0.00 C ATOM 1536 C ALA A 99 14.061 0.606 -11.913 1.00 0.00 C ATOM 1537 O ALA A 99 14.378 0.276 -13.055 1.00 0.00 O ATOM 1538 CB ALA A 99 11.810 1.628 -11.532 1.00 0.00 C ATOM 0 H ALA A 99 12.793 0.667 -9.326 1.00 0.00 H new ATOM 0 HA ALA A 99 12.197 -0.423 -11.999 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.805 1.950 -12.573 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.789 1.424 -11.210 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.236 2.416 -10.910 1.00 0.00 H new ATOM 1544 N ASN A 100 14.906 1.185 -11.066 1.00 0.00 N ATOM 1545 CA ASN A 100 16.286 1.472 -11.439 1.00 0.00 C ATOM 1546 C ASN A 100 17.186 0.272 -11.159 1.00 0.00 C ATOM 1547 O ASN A 100 18.412 0.386 -11.168 1.00 0.00 O ATOM 1548 CB ASN A 100 16.798 2.696 -10.677 1.00 0.00 C ATOM 1549 CG ASN A 100 16.442 3.998 -11.369 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.838 4.237 -12.509 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.689 4.847 -10.679 1.00 0.00 N ATOM 0 H ASN A 100 14.659 1.465 -10.117 1.00 0.00 H new ATOM 0 HA ASN A 100 16.311 1.681 -12.508 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.379 2.696 -9.671 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.881 2.628 -10.571 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.416 5.739 -11.092 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.383 4.607 -9.736 1.00 0.00 H new ATOM 1558 N LEU A 101 16.569 -0.878 -10.911 1.00 0.00 N ATOM 1559 CA LEU A 101 17.313 -2.101 -10.630 1.00 0.00 C ATOM 1560 C LEU A 101 17.822 -2.738 -11.919 1.00 0.00 C ATOM 1561 O LEU A 101 17.184 -2.666 -12.970 1.00 0.00 O ATOM 1562 CB LEU A 101 16.432 -3.094 -9.870 1.00 0.00 C ATOM 1563 CG LEU A 101 16.324 -2.876 -8.360 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.350 -3.870 -7.746 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.692 -2.993 -7.705 1.00 0.00 C ATOM 0 H LEU A 101 15.555 -0.989 -10.899 1.00 0.00 H new ATOM 0 HA LEU A 101 18.172 -1.840 -10.012 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.429 -3.058 -10.295 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.817 -4.099 -10.045 1.00 0.00 H new ATOM 0 HG LEU A 101 15.944 -1.870 -8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.286 -3.700 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.365 -3.738 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.700 -4.885 -7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.596 -2.835 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.100 -3.986 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.361 -2.242 -8.124 1.00 0.00 H new ATOM 1577 N PRO A 102 18.997 -3.379 -11.838 1.00 0.00 N ATOM 1578 CA PRO A 102 19.616 -4.044 -12.989 1.00 0.00 C ATOM 1579 C PRO A 102 18.853 -5.293 -13.417 1.00 0.00 C ATOM 1580 O PRO A 102 18.420 -6.084 -12.579 1.00 0.00 O ATOM 1581 CB PRO A 102 21.008 -4.419 -12.475 1.00 0.00 C ATOM 1582 CG PRO A 102 20.852 -4.523 -10.997 1.00 0.00 C ATOM 1583 CD PRO A 102 19.812 -3.505 -10.618 1.00 0.00 C ATOM 0 HA PRO A 102 19.630 -3.403 -13.871 1.00 0.00 H new ATOM 0 HB2 PRO A 102 21.348 -5.362 -12.904 1.00 0.00 H new ATOM 0 HB3 PRO A 102 21.746 -3.663 -12.743 1.00 0.00 H new ATOM 0 HG2 PRO A 102 20.540 -5.526 -10.707 1.00 0.00 H new ATOM 0 HG3 PRO A 102 21.796 -4.324 -10.490 1.00 0.00 H new ATOM 0 HD2 PRO A 102 19.215 -3.837 -9.769 1.00 0.00 H new ATOM 0 HD3 PRO A 102 20.264 -2.554 -10.337 1.00 0.00 H new ATOM 1591 N GLU A 103 18.691 -5.463 -14.725 1.00 0.00 N ATOM 1592 CA GLU A 103 17.979 -6.617 -15.262 1.00 0.00 C ATOM 1593 C GLU A 103 18.403 -7.898 -14.551 1.00 0.00 C ATOM 1594 O GLU A 103 17.577 -8.763 -14.262 1.00 0.00 O ATOM 1595 CB GLU A 103 18.234 -6.747 -16.766 1.00 0.00 C ATOM 1596 CG GLU A 103 19.704 -6.672 -17.142 1.00 0.00 C ATOM 1597 CD GLU A 103 19.922 -6.646 -18.643 1.00 0.00 C ATOM 1598 OE1 GLU A 103 19.134 -5.976 -19.344 1.00 0.00 O ATOM 1599 OE2 GLU A 103 20.878 -7.295 -19.116 1.00 0.00 O ATOM 0 H GLU A 103 19.043 -4.817 -15.432 1.00 0.00 H new ATOM 0 HA GLU A 103 16.913 -6.464 -15.093 1.00 0.00 H new ATOM 0 HB2 GLU A 103 17.826 -7.696 -17.115 1.00 0.00 H new ATOM 0 HB3 GLU A 103 17.693 -5.957 -17.287 1.00 0.00 H new ATOM 0 HG2 GLU A 103 20.143 -5.778 -16.699 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.228 -7.528 -16.717 1.00 0.00 H new ATOM 1606 N ASN A 104 19.698 -8.012 -14.272 1.00 0.00 N ATOM 1607 CA ASN A 104 20.233 -9.188 -13.595 1.00 0.00 C ATOM 1608 C ASN A 104 20.366 -8.940 -12.096 1.00 0.00 C ATOM 1609 O ASN A 104 21.303 -9.418 -11.457 1.00 0.00 O ATOM 1610 CB ASN A 104 21.594 -9.565 -14.184 1.00 0.00 C ATOM 1611 CG ASN A 104 21.709 -9.205 -15.652 1.00 0.00 C ATOM 1612 OD1 ASN A 104 21.154 -9.886 -16.515 1.00 0.00 O ATOM 1613 ND2 ASN A 104 22.433 -8.131 -15.943 1.00 0.00 N ATOM 0 H ASN A 104 20.396 -7.305 -14.504 1.00 0.00 H new ATOM 0 HA ASN A 104 19.537 -10.013 -13.748 1.00 0.00 H new ATOM 0 HB2 ASN A 104 22.381 -9.058 -13.626 1.00 0.00 H new ATOM 0 HB3 ASN A 104 21.756 -10.636 -14.062 1.00 0.00 H new ATOM 0 HD21 ASN A 104 22.547 -7.841 -16.914 1.00 0.00 H new ATOM 0 HD22 ASN A 104 22.875 -7.596 -15.195 1.00 0.00 H new ATOM 1620 N PHE A 105 19.421 -8.188 -11.540 1.00 0.00 N ATOM 1621 CA PHE A 105 19.432 -7.875 -10.116 1.00 0.00 C ATOM 1622 C PHE A 105 19.250 -9.139 -9.280 1.00 0.00 C ATOM 1623 O PHE A 105 18.537 -10.061 -9.676 1.00 0.00 O ATOM 1624 CB PHE A 105 18.329 -6.868 -9.785 1.00 0.00 C ATOM 1625 CG PHE A 105 17.932 -6.869 -8.337 1.00 0.00 C ATOM 1626 CD1 PHE A 105 18.655 -6.141 -7.406 1.00 0.00 C ATOM 1627 CD2 PHE A 105 16.835 -7.598 -7.906 1.00 0.00 C ATOM 1628 CE1 PHE A 105 18.292 -6.139 -6.072 1.00 0.00 C ATOM 1629 CE2 PHE A 105 16.467 -7.600 -6.573 1.00 0.00 C ATOM 1630 CZ PHE A 105 17.197 -6.870 -5.655 1.00 0.00 C ATOM 0 H PHE A 105 18.638 -7.784 -12.054 1.00 0.00 H new ATOM 0 HA PHE A 105 20.400 -7.436 -9.873 1.00 0.00 H new ATOM 0 HB2 PHE A 105 18.666 -5.869 -10.061 1.00 0.00 H new ATOM 0 HB3 PHE A 105 17.452 -7.088 -10.394 1.00 0.00 H new ATOM 0 HD1 PHE A 105 19.513 -5.568 -7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 105 16.261 -8.171 -8.619 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.864 -5.566 -5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.610 -8.172 -6.250 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.912 -6.871 -4.613 1.00 0.00 H new ATOM 1640 N ARG A 106 19.902 -9.174 -8.122 1.00 0.00 N ATOM 1641 CA ARG A 106 19.814 -10.324 -7.231 1.00 0.00 C ATOM 1642 C ARG A 106 19.473 -9.886 -5.810 1.00 0.00 C ATOM 1643 O ARG A 106 19.906 -8.827 -5.355 1.00 0.00 O ATOM 1644 CB ARG A 106 21.132 -11.100 -7.234 1.00 0.00 C ATOM 1645 CG ARG A 106 22.258 -10.393 -6.497 1.00 0.00 C ATOM 1646 CD ARG A 106 23.015 -9.446 -7.414 1.00 0.00 C ATOM 1647 NE ARG A 106 22.443 -8.102 -7.406 1.00 0.00 N ATOM 1648 CZ ARG A 106 22.798 -7.147 -8.259 1.00 0.00 C ATOM 1649 NH1 ARG A 106 23.718 -7.387 -9.183 1.00 0.00 N ATOM 1650 NH2 ARG A 106 22.231 -5.949 -8.189 1.00 0.00 N ATOM 0 H ARG A 106 20.497 -8.419 -7.779 1.00 0.00 H new ATOM 0 HA ARG A 106 19.017 -10.973 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 106 20.969 -12.077 -6.779 1.00 0.00 H new ATOM 0 HB3 ARG A 106 21.438 -11.275 -8.265 1.00 0.00 H new ATOM 0 HG2 ARG A 106 21.849 -9.836 -5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 106 22.946 -11.132 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 106 24.059 -9.398 -7.103 1.00 0.00 H new ATOM 0 HD3 ARG A 106 23.003 -9.839 -8.431 1.00 0.00 H new ATOM 0 HE ARG A 106 21.732 -7.885 -6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 106 24.155 -8.307 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 106 23.988 -6.652 -9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 106 21.522 -5.761 -7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 106 22.504 -5.216 -8.844 1.00 0.00 H new ATOM 1664 N ARG A 107 18.694 -10.707 -5.113 1.00 0.00 N ATOM 1665 CA ARG A 107 18.294 -10.404 -3.745 1.00 0.00 C ATOM 1666 C ARG A 107 19.344 -10.891 -2.751 1.00 0.00 C ATOM 1667 O ARG A 107 19.796 -12.035 -2.798 1.00 0.00 O ATOM 1668 CB ARG A 107 16.942 -11.048 -3.432 1.00 0.00 C ATOM 1669 CG ARG A 107 15.754 -10.158 -3.757 1.00 0.00 C ATOM 1670 CD ARG A 107 14.438 -10.833 -3.402 1.00 0.00 C ATOM 1671 NE ARG A 107 13.346 -10.391 -4.264 1.00 0.00 N ATOM 1672 CZ ARG A 107 13.131 -10.874 -5.483 1.00 0.00 C ATOM 1673 NH1 ARG A 107 13.929 -11.808 -5.980 1.00 0.00 N ATOM 1674 NH2 ARG A 107 12.115 -10.421 -6.208 1.00 0.00 N ATOM 0 H ARG A 107 18.327 -11.588 -5.474 1.00 0.00 H new ATOM 0 HA ARG A 107 18.204 -9.322 -3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.853 -11.978 -3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.910 -11.310 -2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 107 15.841 -9.219 -3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.763 -9.911 -4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.551 -11.914 -3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.189 -10.618 -2.363 1.00 0.00 H new ATOM 0 HE ARG A 107 12.714 -9.672 -3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.711 -12.158 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.761 -12.177 -6.916 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.499 -9.702 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.951 -10.792 -7.144 1.00 0.00 H new ATOM 1688 N PRO A 108 19.743 -10.003 -1.828 1.00 0.00 N ATOM 1689 CA PRO A 108 20.744 -10.319 -0.805 1.00 0.00 C ATOM 1690 C PRO A 108 20.221 -11.308 0.231 1.00 0.00 C ATOM 1691 O PRO A 108 19.448 -10.942 1.116 1.00 0.00 O ATOM 1692 CB PRO A 108 21.027 -8.963 -0.154 1.00 0.00 C ATOM 1693 CG PRO A 108 19.790 -8.166 -0.386 1.00 0.00 C ATOM 1694 CD PRO A 108 19.247 -8.621 -1.712 1.00 0.00 C ATOM 0 HA PRO A 108 21.627 -10.794 -1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 108 21.235 -9.071 0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.897 -8.483 -0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.064 -8.331 0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.010 -7.099 -0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.158 -8.582 -1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.606 -7.995 -2.529 1.00 0.00 H new ATOM 1702 N GLN A 109 20.648 -12.561 0.115 1.00 0.00 N ATOM 1703 CA GLN A 109 20.222 -13.602 1.043 1.00 0.00 C ATOM 1704 C GLN A 109 20.871 -13.413 2.410 1.00 0.00 C ATOM 1705 O GLN A 109 20.356 -13.883 3.425 1.00 0.00 O ATOM 1706 CB GLN A 109 20.570 -14.984 0.487 1.00 0.00 C ATOM 1707 CG GLN A 109 19.589 -16.070 0.898 1.00 0.00 C ATOM 1708 CD GLN A 109 18.937 -15.792 2.238 1.00 0.00 C ATOM 1709 OE1 GLN A 109 19.401 -16.263 3.277 1.00 0.00 O ATOM 1710 NE2 GLN A 109 17.855 -15.022 2.221 1.00 0.00 N ATOM 0 H GLN A 109 21.288 -12.880 -0.612 1.00 0.00 H new ATOM 0 HA GLN A 109 19.141 -13.527 1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 109 20.605 -14.930 -0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.569 -15.261 0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 109 18.816 -16.164 0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.110 -17.026 0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 109 17.505 -14.653 1.337 1.00 0.00 H new ATOM 0 HE22 GLN A 109 17.374 -14.799 3.092 1.00 0.00 H new ATOM 1719 N THR A 110 22.006 -12.720 2.429 1.00 0.00 N ATOM 1720 CA THR A 110 22.726 -12.470 3.671 1.00 0.00 C ATOM 1721 C THR A 110 22.213 -11.211 4.360 1.00 0.00 C ATOM 1722 O THR A 110 22.094 -10.155 3.738 1.00 0.00 O ATOM 1723 CB THR A 110 24.240 -12.324 3.423 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.479 -11.325 2.426 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.844 -13.647 2.978 1.00 0.00 C ATOM 0 H THR A 110 22.446 -12.323 1.599 1.00 0.00 H new ATOM 0 HA THR A 110 22.552 -13.331 4.316 1.00 0.00 H new ATOM 0 HB THR A 110 24.712 -12.023 4.358 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.443 -11.237 2.276 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.913 -13.520 2.809 1.00 0.00 H new ATOM 0 HG22 THR A 110 24.686 -14.398 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.366 -13.972 2.054 1.00 0.00 H new ATOM 1733 N ASP A 111 21.910 -11.329 5.648 1.00 0.00 N ATOM 1734 CA ASP A 111 21.410 -10.199 6.423 1.00 0.00 C ATOM 1735 C ASP A 111 22.339 -8.996 6.291 1.00 0.00 C ATOM 1736 O ASP A 111 21.904 -7.900 5.941 1.00 0.00 O ATOM 1737 CB ASP A 111 21.264 -10.587 7.895 1.00 0.00 C ATOM 1738 CG ASP A 111 22.375 -11.506 8.365 1.00 0.00 C ATOM 1739 OD1 ASP A 111 23.482 -11.001 8.646 1.00 0.00 O ATOM 1740 OD2 ASP A 111 22.137 -12.729 8.450 1.00 0.00 O ATOM 0 H ASP A 111 22.002 -12.196 6.178 1.00 0.00 H new ATOM 0 HA ASP A 111 20.431 -9.925 6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 111 21.260 -9.685 8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 111 20.303 -11.078 8.045 1.00 0.00 H new ATOM 1745 N GLN A 112 23.620 -9.211 6.575 1.00 0.00 N ATOM 1746 CA GLN A 112 24.610 -8.143 6.490 1.00 0.00 C ATOM 1747 C GLN A 112 24.358 -7.264 5.270 1.00 0.00 C ATOM 1748 O GLN A 112 24.343 -6.037 5.369 1.00 0.00 O ATOM 1749 CB GLN A 112 26.021 -8.731 6.427 1.00 0.00 C ATOM 1750 CG GLN A 112 27.083 -7.831 7.036 1.00 0.00 C ATOM 1751 CD GLN A 112 27.243 -6.525 6.283 1.00 0.00 C ATOM 1752 OE1 GLN A 112 26.943 -5.452 6.808 1.00 0.00 O ATOM 1753 NE2 GLN A 112 27.717 -6.608 5.046 1.00 0.00 N ATOM 0 H GLN A 112 23.996 -10.113 6.865 1.00 0.00 H new ATOM 0 HA GLN A 112 24.521 -7.526 7.384 1.00 0.00 H new ATOM 0 HB2 GLN A 112 26.029 -9.690 6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.277 -8.928 5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 112 26.823 -7.619 8.073 1.00 0.00 H new ATOM 0 HG3 GLN A 112 28.037 -8.358 7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 112 27.953 -7.518 4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 112 27.845 -5.762 4.491 1.00 0.00 H new ATOM 1762 N ALA A 113 24.161 -7.899 4.119 1.00 0.00 N ATOM 1763 CA ALA A 113 23.908 -7.174 2.880 1.00 0.00 C ATOM 1764 C ALA A 113 22.503 -6.582 2.867 1.00 0.00 C ATOM 1765 O ALA A 113 22.318 -5.401 2.570 1.00 0.00 O ATOM 1766 CB ALA A 113 24.107 -8.091 1.682 1.00 0.00 C ATOM 0 H ALA A 113 24.172 -8.914 4.019 1.00 0.00 H new ATOM 0 HA ALA A 113 24.621 -6.352 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.915 -7.537 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 113 25.132 -8.462 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.417 -8.932 1.749 1.00 0.00 H new ATOM 1772 N VAL A 114 21.514 -7.409 3.191 1.00 0.00 N ATOM 1773 CA VAL A 114 20.125 -6.966 3.218 1.00 0.00 C ATOM 1774 C VAL A 114 19.996 -5.599 3.880 1.00 0.00 C ATOM 1775 O VAL A 114 19.520 -4.644 3.267 1.00 0.00 O ATOM 1776 CB VAL A 114 19.229 -7.973 3.964 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.798 -7.462 4.039 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.284 -9.336 3.291 1.00 0.00 C ATOM 0 H VAL A 114 21.649 -8.389 3.438 1.00 0.00 H new ATOM 0 HA VAL A 114 19.795 -6.896 2.181 1.00 0.00 H new ATOM 0 HB VAL A 114 19.604 -8.081 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.180 -8.187 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.779 -6.511 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.408 -7.322 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.645 -10.035 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.936 -9.248 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.310 -9.704 3.297 1.00 0.00 H new ATOM 1788 N GLU A 115 20.423 -5.514 5.136 1.00 0.00 N ATOM 1789 CA GLU A 115 20.354 -4.262 5.882 1.00 0.00 C ATOM 1790 C GLU A 115 20.780 -3.085 5.009 1.00 0.00 C ATOM 1791 O GLU A 115 20.044 -2.110 4.861 1.00 0.00 O ATOM 1792 CB GLU A 115 21.241 -4.336 7.127 1.00 0.00 C ATOM 1793 CG GLU A 115 21.222 -3.067 7.963 1.00 0.00 C ATOM 1794 CD GLU A 115 22.478 -2.899 8.796 1.00 0.00 C ATOM 1795 OE1 GLU A 115 22.987 -3.915 9.314 1.00 0.00 O ATOM 1796 OE2 GLU A 115 22.951 -1.751 8.930 1.00 0.00 O ATOM 0 H GLU A 115 20.820 -6.295 5.658 1.00 0.00 H new ATOM 0 HA GLU A 115 19.320 -4.108 6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.917 -5.173 7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.266 -4.544 6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.108 -2.205 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.353 -3.083 8.621 1.00 0.00 H new ATOM 1803 N PHE A 116 21.974 -3.184 4.434 1.00 0.00 N ATOM 1804 CA PHE A 116 22.500 -2.127 3.578 1.00 0.00 C ATOM 1805 C PHE A 116 21.610 -1.925 2.355 1.00 0.00 C ATOM 1806 O PHE A 116 21.082 -0.836 2.131 1.00 0.00 O ATOM 1807 CB PHE A 116 23.926 -2.463 3.135 1.00 0.00 C ATOM 1808 CG PHE A 116 24.968 -2.127 4.163 1.00 0.00 C ATOM 1809 CD1 PHE A 116 24.952 -0.902 4.810 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.963 -3.037 4.483 1.00 0.00 C ATOM 1811 CE1 PHE A 116 25.910 -0.591 5.756 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.923 -2.731 5.429 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.896 -1.507 6.067 1.00 0.00 C ATOM 0 H PHE A 116 22.595 -3.985 4.545 1.00 0.00 H new ATOM 0 HA PHE A 116 22.514 -1.201 4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.985 -3.527 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.148 -1.924 2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.182 -0.182 4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.989 -3.996 3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 116 25.888 0.368 6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.694 -3.449 5.669 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.644 -1.266 6.808 1.00 0.00 H new ATOM 1823 N PHE A 117 21.449 -2.982 1.566 1.00 0.00 N ATOM 1824 CA PHE A 117 20.624 -2.922 0.365 1.00 0.00 C ATOM 1825 C PHE A 117 19.409 -2.024 0.584 1.00 0.00 C ATOM 1826 O PHE A 117 19.200 -1.056 -0.147 1.00 0.00 O ATOM 1827 CB PHE A 117 20.169 -4.326 -0.038 1.00 0.00 C ATOM 1828 CG PHE A 117 19.137 -4.331 -1.130 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.411 -3.762 -2.363 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.894 -4.905 -0.923 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.463 -3.764 -3.369 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.942 -4.912 -1.925 1.00 0.00 C ATOM 1833 CZ PHE A 117 17.228 -4.341 -3.150 1.00 0.00 C ATOM 0 H PHE A 117 21.879 -3.891 1.737 1.00 0.00 H new ATOM 0 HA PHE A 117 21.227 -2.499 -0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 117 21.036 -4.900 -0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.763 -4.833 0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.376 -3.312 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.666 -5.353 0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.688 -3.315 -4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.976 -5.363 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.487 -4.346 -3.935 1.00 0.00 H new ATOM 1843 N ILE A 118 18.613 -2.354 1.595 1.00 0.00 N ATOM 1844 CA ILE A 118 17.419 -1.579 1.911 1.00 0.00 C ATOM 1845 C ILE A 118 17.771 -0.125 2.208 1.00 0.00 C ATOM 1846 O ILE A 118 17.054 0.792 1.807 1.00 0.00 O ATOM 1847 CB ILE A 118 16.667 -2.171 3.117 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.192 -3.591 2.804 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.489 -1.284 3.493 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.769 -4.371 4.029 1.00 0.00 C ATOM 0 H ILE A 118 18.773 -3.152 2.209 1.00 0.00 H new ATOM 0 HA ILE A 118 16.773 -1.622 1.034 1.00 0.00 H new ATOM 0 HB ILE A 118 17.350 -2.216 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.354 -3.540 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.993 -4.130 2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.967 -1.715 4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.851 -0.289 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.804 -1.211 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.444 -5.368 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.611 -4.454 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.946 -3.854 4.523 1.00 0.00 H new ATOM 1862 N ARG A 119 18.880 0.077 2.912 1.00 0.00 N ATOM 1863 CA ARG A 119 19.327 1.420 3.263 1.00 0.00 C ATOM 1864 C ARG A 119 19.675 2.221 2.012 1.00 0.00 C ATOM 1865 O ARG A 119 19.118 3.292 1.774 1.00 0.00 O ATOM 1866 CB ARG A 119 20.542 1.349 4.191 1.00 0.00 C ATOM 1867 CG ARG A 119 20.179 1.320 5.667 1.00 0.00 C ATOM 1868 CD ARG A 119 21.398 1.044 6.534 1.00 0.00 C ATOM 1869 NE ARG A 119 22.088 2.273 6.916 1.00 0.00 N ATOM 1870 CZ ARG A 119 23.029 2.327 7.852 1.00 0.00 C ATOM 1871 NH1 ARG A 119 23.390 1.226 8.498 1.00 0.00 N ATOM 1872 NH2 ARG A 119 23.611 3.483 8.144 1.00 0.00 N ATOM 0 H ARG A 119 19.485 -0.671 3.250 1.00 0.00 H new ATOM 0 HA ARG A 119 18.511 1.924 3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 119 21.121 0.458 3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 119 21.185 2.208 4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.736 2.274 5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.425 0.553 5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 119 21.090 0.507 7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 119 22.087 0.394 5.994 1.00 0.00 H new ATOM 0 HE ARG A 119 21.833 3.137 6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 119 22.945 0.335 8.276 1.00 0.00 H new ATOM 0 HH12 ARG A 119 24.113 1.270 9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 119 23.336 4.332 7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 119 24.333 3.523 8.863 1.00 0.00 H new ATOM 1886 N ASP A 120 20.601 1.694 1.217 1.00 0.00 N ATOM 1887 CA ASP A 120 21.023 2.360 -0.010 1.00 0.00 C ATOM 1888 C ASP A 120 19.898 2.366 -1.040 1.00 0.00 C ATOM 1889 O ASP A 120 19.905 3.162 -1.979 1.00 0.00 O ATOM 1890 CB ASP A 120 22.258 1.669 -0.590 1.00 0.00 C ATOM 1891 CG ASP A 120 23.349 1.468 0.444 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.393 2.248 1.418 1.00 0.00 O ATOM 1893 OD2 ASP A 120 24.158 0.532 0.278 1.00 0.00 O ATOM 0 H ASP A 120 21.073 0.809 1.400 1.00 0.00 H new ATOM 0 HA ASP A 120 21.273 3.393 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.970 0.702 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.649 2.264 -1.416 1.00 0.00 H new ATOM 1898 N LYS A 121 18.931 1.473 -0.858 1.00 0.00 N ATOM 1899 CA LYS A 121 17.798 1.374 -1.770 1.00 0.00 C ATOM 1900 C LYS A 121 16.751 2.438 -1.454 1.00 0.00 C ATOM 1901 O LYS A 121 16.211 3.078 -2.356 1.00 0.00 O ATOM 1902 CB LYS A 121 17.168 -0.018 -1.686 1.00 0.00 C ATOM 1903 CG LYS A 121 16.006 -0.219 -2.643 1.00 0.00 C ATOM 1904 CD LYS A 121 15.296 -1.538 -2.389 1.00 0.00 C ATOM 1905 CE LYS A 121 13.980 -1.618 -3.147 1.00 0.00 C ATOM 1906 NZ LYS A 121 13.128 -2.739 -2.663 1.00 0.00 N ATOM 0 H LYS A 121 18.910 0.807 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 121 18.164 1.539 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.932 -0.767 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.822 -0.190 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.298 0.603 -2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.371 -0.193 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.941 -2.363 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.109 -1.652 -1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.440 -0.678 -3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.181 -1.748 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.125 -2.486 -2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.332 -3.595 -3.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.331 -2.921 -1.659 1.00 0.00 H new ATOM 1920 N TYR A 122 16.470 2.621 -0.169 1.00 0.00 N ATOM 1921 CA TYR A 122 15.487 3.607 0.266 1.00 0.00 C ATOM 1922 C TYR A 122 16.173 4.844 0.837 1.00 0.00 C ATOM 1923 O TYR A 122 16.012 5.949 0.320 1.00 0.00 O ATOM 1924 CB TYR A 122 14.553 2.998 1.313 1.00 0.00 C ATOM 1925 CG TYR A 122 13.502 2.083 0.728 1.00 0.00 C ATOM 1926 CD1 TYR A 122 13.752 0.727 0.555 1.00 0.00 C ATOM 1927 CD2 TYR A 122 12.259 2.574 0.347 1.00 0.00 C ATOM 1928 CE1 TYR A 122 12.794 -0.113 0.020 1.00 0.00 C ATOM 1929 CE2 TYR A 122 11.295 1.741 -0.187 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.568 0.398 -0.349 1.00 0.00 C ATOM 1931 OH TYR A 122 10.611 -0.435 -0.882 1.00 0.00 O ATOM 0 H TYR A 122 16.909 2.100 0.590 1.00 0.00 H new ATOM 0 HA TYR A 122 14.901 3.908 -0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.147 2.439 2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 122 14.059 3.802 1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.711 0.323 0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 122 12.043 3.625 0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 122 13.005 -1.164 -0.108 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.333 2.138 -0.476 1.00 0.00 H new ATOM 0 HH TYR A 122 9.805 0.083 -1.087 1.00 0.00 H new ATOM 1941 N GLU A 123 16.937 4.649 1.907 1.00 0.00 N ATOM 1942 CA GLU A 123 17.647 5.749 2.549 1.00 0.00 C ATOM 1943 C GLU A 123 18.358 6.616 1.513 1.00 0.00 C ATOM 1944 O GLU A 123 18.079 7.808 1.387 1.00 0.00 O ATOM 1945 CB GLU A 123 18.660 5.210 3.561 1.00 0.00 C ATOM 1946 CG GLU A 123 18.936 6.163 4.712 1.00 0.00 C ATOM 1947 CD GLU A 123 20.179 5.787 5.495 1.00 0.00 C ATOM 1948 OE1 GLU A 123 21.064 5.120 4.919 1.00 0.00 O ATOM 1949 OE2 GLU A 123 20.266 6.158 6.684 1.00 0.00 O ATOM 0 H GLU A 123 17.080 3.740 2.347 1.00 0.00 H new ATOM 0 HA GLU A 123 16.915 6.364 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.293 4.266 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.596 4.995 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 123 19.049 7.175 4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 123 18.078 6.174 5.384 1.00 0.00 H new ATOM 1956 N LYS A 124 19.279 6.007 0.773 1.00 0.00 N ATOM 1957 CA LYS A 124 20.031 6.721 -0.252 1.00 0.00 C ATOM 1958 C LYS A 124 19.171 6.960 -1.489 1.00 0.00 C ATOM 1959 O LYS A 124 19.463 7.840 -2.300 1.00 0.00 O ATOM 1960 CB LYS A 124 21.286 5.933 -0.635 1.00 0.00 C ATOM 1961 CG LYS A 124 22.277 5.776 0.506 1.00 0.00 C ATOM 1962 CD LYS A 124 23.489 4.963 0.083 1.00 0.00 C ATOM 1963 CE LYS A 124 24.372 5.738 -0.882 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.104 6.841 -0.201 1.00 0.00 N ATOM 0 H LYS A 124 19.522 5.021 0.864 1.00 0.00 H new ATOM 0 HA LYS A 124 20.327 7.687 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.991 4.945 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.780 6.434 -1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 124 22.599 6.760 0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 124 21.788 5.290 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 124 24.068 4.686 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.160 4.036 -0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 124 25.088 5.059 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.759 6.150 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.817 7.235 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.433 7.587 0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.574 6.472 0.650 1.00 0.00 H new ATOM 1978 N LYS A 125 18.110 6.173 -1.628 1.00 0.00 N ATOM 1979 CA LYS A 125 17.206 6.300 -2.765 1.00 0.00 C ATOM 1980 C LYS A 125 17.934 6.014 -4.074 1.00 0.00 C ATOM 1981 O LYS A 125 17.542 6.502 -5.135 1.00 0.00 O ATOM 1982 CB LYS A 125 16.597 7.704 -2.804 1.00 0.00 C ATOM 1983 CG LYS A 125 15.579 7.956 -1.705 1.00 0.00 C ATOM 1984 CD LYS A 125 14.420 6.975 -1.783 1.00 0.00 C ATOM 1985 CE LYS A 125 13.267 7.403 -0.888 1.00 0.00 C ATOM 1986 NZ LYS A 125 12.524 8.561 -1.456 1.00 0.00 N ATOM 0 H LYS A 125 17.855 5.440 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 125 16.408 5.567 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.397 8.440 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 125 16.120 7.857 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.064 7.871 -0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.200 8.975 -1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.074 6.900 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.761 5.983 -1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.584 6.565 -0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.651 7.666 0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.697 8.768 -0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 13.147 9.393 -1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.208 8.332 -2.420 1.00 0.00 H new ATOM 2000 N LYS A 126 18.996 5.219 -3.994 1.00 0.00 N ATOM 2001 CA LYS A 126 19.778 4.865 -5.173 1.00 0.00 C ATOM 2002 C LYS A 126 18.869 4.438 -6.321 1.00 0.00 C ATOM 2003 O LYS A 126 18.746 5.142 -7.323 1.00 0.00 O ATOM 2004 CB LYS A 126 20.759 3.739 -4.839 1.00 0.00 C ATOM 2005 CG LYS A 126 22.069 4.230 -4.247 1.00 0.00 C ATOM 2006 CD LYS A 126 23.051 3.089 -4.042 1.00 0.00 C ATOM 2007 CE LYS A 126 23.707 2.676 -5.351 1.00 0.00 C ATOM 2008 NZ LYS A 126 25.029 2.027 -5.128 1.00 0.00 N ATOM 0 H LYS A 126 19.335 4.807 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 126 20.338 5.746 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.286 3.053 -4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.970 3.171 -5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.510 4.977 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.877 4.721 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.818 3.391 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.532 2.234 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 126 23.051 1.989 -5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 126 23.835 3.553 -5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.444 1.760 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 25.664 2.691 -4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 24.904 1.176 -4.544 1.00 0.00 H new ATOM 2022 N TYR A 127 18.233 3.282 -6.167 1.00 0.00 N ATOM 2023 CA TYR A 127 17.336 2.761 -7.191 1.00 0.00 C ATOM 2024 C TYR A 127 15.953 3.397 -7.079 1.00 0.00 C ATOM 2025 O TYR A 127 14.935 2.734 -7.275 1.00 0.00 O ATOM 2026 CB TYR A 127 17.221 1.240 -7.072 1.00 0.00 C ATOM 2027 CG TYR A 127 18.527 0.559 -6.732 1.00 0.00 C ATOM 2028 CD1 TYR A 127 18.932 0.412 -5.411 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.355 0.062 -7.730 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.125 -0.209 -5.095 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.549 -0.561 -7.424 1.00 0.00 C ATOM 2032 CZ TYR A 127 20.930 -0.695 -6.105 1.00 0.00 C ATOM 2033 OH TYR A 127 22.119 -1.314 -5.795 1.00 0.00 O ATOM 0 H TYR A 127 18.322 2.688 -5.343 1.00 0.00 H new ATOM 0 HA TYR A 127 17.754 3.012 -8.166 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.485 0.999 -6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.845 0.838 -8.013 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.304 0.790 -4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.060 0.165 -8.764 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.426 -0.314 -4.063 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.181 -0.941 -8.213 1.00 0.00 H new ATOM 0 HH TYR A 127 22.564 -1.599 -6.620 1.00 0.00 H new ATOM 2043 N TYR A 128 15.927 4.687 -6.764 1.00 0.00 N ATOM 2044 CA TYR A 128 14.671 5.414 -6.625 1.00 0.00 C ATOM 2045 C TYR A 128 14.368 6.224 -7.882 1.00 0.00 C ATOM 2046 O TYR A 128 15.127 7.118 -8.256 1.00 0.00 O ATOM 2047 CB TYR A 128 14.727 6.340 -5.409 1.00 0.00 C ATOM 2048 CG TYR A 128 13.408 7.014 -5.100 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.338 6.289 -4.590 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.234 8.375 -5.318 1.00 0.00 C ATOM 2051 CE1 TYR A 128 11.132 6.901 -4.307 1.00 0.00 C ATOM 2052 CE2 TYR A 128 12.032 8.995 -5.036 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.984 8.253 -4.532 1.00 0.00 C ATOM 2054 OH TYR A 128 9.784 8.866 -4.250 1.00 0.00 O ATOM 0 H TYR A 128 16.761 5.251 -6.600 1.00 0.00 H new ATOM 0 HA TYR A 128 13.872 4.686 -6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 128 15.044 5.765 -4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.485 7.104 -5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.451 5.230 -4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 128 14.052 8.958 -5.715 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.310 6.323 -3.912 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.914 10.054 -5.209 1.00 0.00 H new ATOM 0 HH TYR A 128 9.846 9.820 -4.464 1.00 0.00 H new ATOM 2064 N ASP A 129 13.252 5.905 -8.528 1.00 0.00 N ATOM 2065 CA ASP A 129 12.845 6.602 -9.742 1.00 0.00 C ATOM 2066 C ASP A 129 11.945 7.788 -9.411 1.00 0.00 C ATOM 2067 O ASP A 129 10.780 7.616 -9.051 1.00 0.00 O ATOM 2068 CB ASP A 129 12.121 5.644 -10.688 1.00 0.00 C ATOM 2069 CG ASP A 129 12.044 6.177 -12.106 1.00 0.00 C ATOM 2070 OD1 ASP A 129 11.293 7.148 -12.334 1.00 0.00 O ATOM 2071 OD2 ASP A 129 12.734 5.623 -12.987 1.00 0.00 O ATOM 0 H ASP A 129 12.613 5.168 -8.231 1.00 0.00 H new ATOM 0 HA ASP A 129 13.742 6.976 -10.235 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.636 4.683 -10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.113 5.464 -10.316 1.00 0.00 H new ATOM 2076 N LYS A 130 12.492 8.993 -9.535 1.00 0.00 N ATOM 2077 CA LYS A 130 11.739 10.209 -9.250 1.00 0.00 C ATOM 2078 C LYS A 130 10.847 10.585 -10.429 1.00 0.00 C ATOM 2079 O LYS A 130 9.731 11.070 -10.244 1.00 0.00 O ATOM 2080 CB LYS A 130 12.694 11.361 -8.931 1.00 0.00 C ATOM 2081 CG LYS A 130 13.663 11.679 -10.057 1.00 0.00 C ATOM 2082 CD LYS A 130 14.928 12.338 -9.535 1.00 0.00 C ATOM 2083 CE LYS A 130 14.778 13.850 -9.460 1.00 0.00 C ATOM 2084 NZ LYS A 130 15.104 14.505 -10.756 1.00 0.00 N ATOM 0 H LYS A 130 13.455 9.153 -9.831 1.00 0.00 H new ATOM 0 HA LYS A 130 11.105 10.020 -8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.110 12.253 -8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.261 11.113 -8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 130 13.921 10.762 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.180 12.338 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 130 15.163 11.945 -8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 130 15.766 12.086 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 130 13.756 14.100 -9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 130 15.432 14.241 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 14.990 15.535 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 16.087 14.288 -11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 14.463 14.151 -11.495 1.00 0.00 H new ATOM 2098 N ASN A 131 11.346 10.358 -11.639 1.00 0.00 N ATOM 2099 CA ASN A 131 10.593 10.673 -12.848 1.00 0.00 C ATOM 2100 C ASN A 131 9.202 10.050 -12.800 1.00 0.00 C ATOM 2101 O ASN A 131 8.220 10.665 -13.215 1.00 0.00 O ATOM 2102 CB ASN A 131 11.344 10.177 -14.085 1.00 0.00 C ATOM 2103 CG ASN A 131 12.695 10.847 -14.248 1.00 0.00 C ATOM 2104 OD1 ASN A 131 13.737 10.227 -14.034 1.00 0.00 O ATOM 2105 ND2 ASN A 131 12.683 12.119 -14.630 1.00 0.00 N ATOM 0 H ASN A 131 12.268 9.957 -11.809 1.00 0.00 H new ATOM 0 HA ASN A 131 10.485 11.756 -12.907 1.00 0.00 H new ATOM 0 HB2 ASN A 131 11.483 9.098 -14.014 1.00 0.00 H new ATOM 0 HB3 ASN A 131 10.740 10.363 -14.973 1.00 0.00 H new ATOM 0 HD21 ASN A 131 13.561 12.622 -14.757 1.00 0.00 H new ATOM 0 HD22 ASN A 131 11.795 12.593 -14.796 1.00 0.00 H new ATOM 2112 N ALA A 132 9.126 8.825 -12.290 1.00 0.00 N ATOM 2113 CA ALA A 132 7.855 8.119 -12.185 1.00 0.00 C ATOM 2114 C ALA A 132 6.890 8.859 -11.265 1.00 0.00 C ATOM 2115 O ALA A 132 5.680 8.637 -11.311 1.00 0.00 O ATOM 2116 CB ALA A 132 8.079 6.699 -11.686 1.00 0.00 C ATOM 0 H ALA A 132 9.930 8.301 -11.943 1.00 0.00 H new ATOM 0 HA ALA A 132 7.408 8.077 -13.178 1.00 0.00 H new ATOM 0 HB1 ALA A 132 7.121 6.184 -11.612 1.00 0.00 H new ATOM 0 HB2 ALA A 132 8.725 6.166 -12.383 1.00 0.00 H new ATOM 0 HB3 ALA A 132 8.551 6.729 -10.704 1.00 0.00 H new ATOM 2122 N ILE A 133 7.433 9.738 -10.430 1.00 0.00 N ATOM 2123 CA ILE A 133 6.620 10.510 -9.499 1.00 0.00 C ATOM 2124 C ILE A 133 6.005 11.726 -10.184 1.00 0.00 C ATOM 2125 O ILE A 133 6.253 12.865 -9.790 1.00 0.00 O ATOM 2126 CB ILE A 133 7.445 10.981 -8.287 1.00 0.00 C ATOM 2127 CG1 ILE A 133 8.121 9.788 -7.608 1.00 0.00 C ATOM 2128 CG2 ILE A 133 6.558 11.726 -7.300 1.00 0.00 C ATOM 2129 CD1 ILE A 133 7.146 8.823 -6.970 1.00 0.00 C ATOM 0 H ILE A 133 8.433 9.933 -10.379 1.00 0.00 H new ATOM 0 HA ILE A 133 5.825 9.850 -9.152 1.00 0.00 H new ATOM 0 HB ILE A 133 8.220 11.663 -8.636 1.00 0.00 H new ATOM 0 HG12 ILE A 133 8.720 9.253 -8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.807 10.156 -6.845 1.00 0.00 H new ATOM 0 HG21 ILE A 133 7.155 12.053 -6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 133 6.119 12.595 -7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 133 5.764 11.065 -6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 133 7.695 8.003 -6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.564 9.343 -6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.475 8.427 -7.732 1.00 0.00 H new ATOM 2141 N ALA A 134 5.200 11.475 -11.212 1.00 0.00 N ATOM 2142 CA ALA A 134 4.547 12.549 -11.950 1.00 0.00 C ATOM 2143 C ALA A 134 3.344 13.089 -11.183 1.00 0.00 C ATOM 2144 O ALA A 134 2.932 12.517 -10.174 1.00 0.00 O ATOM 2145 CB ALA A 134 4.121 12.060 -13.326 1.00 0.00 C ATOM 0 H ALA A 134 4.985 10.538 -11.552 1.00 0.00 H new ATOM 0 HA ALA A 134 5.263 13.362 -12.071 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.635 12.872 -13.866 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.998 11.728 -13.882 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.425 11.229 -13.217 1.00 0.00 H new ATOM 2151 N ILE A 135 2.787 14.193 -11.668 1.00 0.00 N ATOM 2152 CA ILE A 135 1.632 14.810 -11.028 1.00 0.00 C ATOM 2153 C ILE A 135 0.471 14.951 -12.007 1.00 0.00 C ATOM 2154 O ILE A 135 0.655 15.379 -13.146 1.00 0.00 O ATOM 2155 CB ILE A 135 1.979 16.198 -10.457 1.00 0.00 C ATOM 2156 CG1 ILE A 135 3.108 16.084 -9.431 1.00 0.00 C ATOM 2157 CG2 ILE A 135 0.748 16.835 -9.830 1.00 0.00 C ATOM 2158 CD1 ILE A 135 4.489 16.131 -10.045 1.00 0.00 C ATOM 0 H ILE A 135 3.117 14.679 -12.502 1.00 0.00 H new ATOM 0 HA ILE A 135 1.337 14.153 -10.210 1.00 0.00 H new ATOM 0 HB ILE A 135 2.319 16.836 -11.273 1.00 0.00 H new ATOM 0 HG12 ILE A 135 3.013 16.893 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 135 2.995 15.150 -8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 135 1.009 17.815 -9.431 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -0.029 16.946 -10.586 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.381 16.201 -9.023 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.240 16.045 -9.259 1.00 0.00 H new ATOM 0 HD12 ILE A 135 4.603 15.306 -10.748 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.621 17.076 -10.571 1.00 0.00 H new ATOM 2170 N SER A 136 -0.725 14.590 -11.554 1.00 0.00 N ATOM 2171 CA SER A 136 -1.917 14.674 -12.390 1.00 0.00 C ATOM 2172 C SER A 136 -3.021 15.456 -11.685 1.00 0.00 C ATOM 2173 O SER A 136 -3.319 15.215 -10.516 1.00 0.00 O ATOM 2174 CB SER A 136 -2.416 13.272 -12.745 1.00 0.00 C ATOM 2175 OG SER A 136 -1.729 12.756 -13.872 1.00 0.00 O ATOM 0 H SER A 136 -0.895 14.236 -10.612 1.00 0.00 H new ATOM 0 HA SER A 136 -1.652 15.201 -13.307 1.00 0.00 H new ATOM 0 HB2 SER A 136 -2.276 12.606 -11.893 1.00 0.00 H new ATOM 0 HB3 SER A 136 -3.486 13.305 -12.951 1.00 0.00 H new ATOM 0 HG SER A 136 -2.065 11.859 -14.077 1.00 0.00 H new ATOM 2181 N GLY A 137 -3.625 16.396 -12.407 1.00 0.00 N ATOM 2182 CA GLY A 137 -4.689 17.200 -11.835 1.00 0.00 C ATOM 2183 C GLY A 137 -5.996 17.052 -12.589 1.00 0.00 C ATOM 2184 O GLY A 137 -6.029 17.035 -13.820 1.00 0.00 O ATOM 0 H GLY A 137 -3.396 16.614 -13.377 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -4.839 16.912 -10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -4.389 18.248 -11.836 1.00 0.00 H new ATOM 2188 N PRO A 138 -7.105 16.942 -11.843 1.00 0.00 N ATOM 2189 CA PRO A 138 -8.441 16.792 -12.427 1.00 0.00 C ATOM 2190 C PRO A 138 -8.916 18.064 -13.121 1.00 0.00 C ATOM 2191 O PRO A 138 -8.326 19.131 -12.953 1.00 0.00 O ATOM 2192 CB PRO A 138 -9.324 16.480 -11.217 1.00 0.00 C ATOM 2193 CG PRO A 138 -8.605 17.080 -10.058 1.00 0.00 C ATOM 2194 CD PRO A 138 -7.140 16.955 -10.371 1.00 0.00 C ATOM 0 HA PRO A 138 -8.465 16.022 -13.198 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -10.319 16.910 -11.332 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -9.454 15.405 -11.089 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -8.887 18.124 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -8.852 16.559 -9.133 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -6.569 17.789 -9.963 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -6.716 16.043 -9.951 1.00 0.00 H new ATOM 2202 N SER A 139 -9.987 17.943 -13.899 1.00 0.00 N ATOM 2203 CA SER A 139 -10.540 19.083 -14.620 1.00 0.00 C ATOM 2204 C SER A 139 -11.868 19.520 -14.010 1.00 0.00 C ATOM 2205 O SER A 139 -12.482 18.782 -13.239 1.00 0.00 O ATOM 2206 CB SER A 139 -10.735 18.734 -16.097 1.00 0.00 C ATOM 2207 OG SER A 139 -9.488 18.554 -16.747 1.00 0.00 O ATOM 0 H SER A 139 -10.489 17.067 -14.046 1.00 0.00 H new ATOM 0 HA SER A 139 -9.834 19.909 -14.539 1.00 0.00 H new ATOM 0 HB2 SER A 139 -11.329 17.824 -16.184 1.00 0.00 H new ATOM 0 HB3 SER A 139 -11.295 19.528 -16.591 1.00 0.00 H new ATOM 0 HG SER A 139 -9.639 18.330 -17.689 1.00 0.00 H new ATOM 2213 N SER A 140 -12.306 20.725 -14.361 1.00 0.00 N ATOM 2214 CA SER A 140 -13.559 21.263 -13.845 1.00 0.00 C ATOM 2215 C SER A 140 -14.398 21.859 -14.971 1.00 0.00 C ATOM 2216 O SER A 140 -13.901 22.100 -16.070 1.00 0.00 O ATOM 2217 CB SER A 140 -13.282 22.328 -12.782 1.00 0.00 C ATOM 2218 OG SER A 140 -14.487 22.785 -12.192 1.00 0.00 O ATOM 0 H SER A 140 -11.812 21.347 -15.001 1.00 0.00 H new ATOM 0 HA SER A 140 -14.118 20.444 -13.392 1.00 0.00 H new ATOM 0 HB2 SER A 140 -12.629 21.917 -12.012 1.00 0.00 H new ATOM 0 HB3 SER A 140 -12.753 23.168 -13.233 1.00 0.00 H new ATOM 0 HG SER A 140 -14.283 23.464 -11.515 1.00 0.00 H new ATOM 2224 N GLY A 141 -15.676 22.095 -14.688 1.00 0.00 N ATOM 2225 CA GLY A 141 -16.565 22.660 -15.686 1.00 0.00 C ATOM 2226 C GLY A 141 -16.811 21.715 -16.845 1.00 0.00 C ATOM 2227 O GLY A 141 -16.612 22.111 -17.993 1.00 0.00 O ATOM 0 H GLY A 141 -16.111 21.905 -13.785 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -17.517 22.912 -15.219 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -16.139 23.589 -16.063 1.00 0.00 H new TER 2231 GLY A 141 HETATM 2232 ZN ZN A 401 12.067 -9.075 4.277 1.00 0.00 ZN