USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 128 HIS : no HD1:sc= -0.0939 X(o=-0.17,f=-0.37) USER MOD Set 1.2: A 157 ASN : amide:sc= -0.0745 K(o=-0.17,f=-3.1!) USER MOD Set 1.3: A 158 HIS : no HD1:sc= 0 X(o=-0.17,f=-0.24) USER MOD Set 2.1: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 118 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 83 HIS : no HE2:sc= 0.623 K(o=1.3,f=-3.6!) USER MOD Set 3.2: A 85 HIS : no HE2:sc= 0.648 K(o=1.3,f=-4.5!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=-0.57) USER MOD Single : A 86 HIS : no HD1:sc= -0.0499 X(o=-0.05,f=-0.32) USER MOD Single : A 87 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.19) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=-0.023) USER MOD Single : A 91 HIS : no HD1:sc= -0.0432 X(o=-0.043,f=0.00064) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0099 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= 0.201! C(o=0.2!,f=-5.2!) USER MOD Single : A 100 HIS : no HE2:sc= 0.368 K(o=0.37,f=-2.3!) USER MOD Single : A 101 MET CE :methyl -159:sc= -0.34 (180deg=-0.862) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 180:sc=-0.00674 USER MOD Single : A 113 SER OG : rot -110:sc= 0.472 USER MOD Single : A 116 THR OG1 : rot 33:sc= 1.08 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= 0.148 X(o=0.15,f=-0.075) USER MOD Single : A 134 CYS SG : rot 170:sc= -1.28 USER MOD Single : A 138 SER OG : rot -89:sc= 1.21 USER MOD Single : A 145 SER OG : rot 90:sc= 0.749 USER MOD Single : A 146 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 149 TYR OH : rot -3:sc= 0.761 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 160 SER OG : rot -153:sc= 1.28 USER MOD Single : A 163 SER OG : rot -23:sc= 0.249 USER MOD Single : A 164 TYR OH : rot 173:sc= 0.37 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= 0.415 K(o=0.42,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 16.419 -6.814 -32.468 1.00 25.00 N ATOM 2 CA MET A 80 16.029 -8.225 -32.214 1.00 25.00 C ATOM 3 C MET A 80 16.325 -8.680 -30.791 1.00 25.00 C ATOM 4 O MET A 80 17.410 -8.532 -30.271 1.00 25.00 O ATOM 5 CB MET A 80 16.769 -9.114 -33.226 1.00 25.00 C ATOM 6 CG MET A 80 16.317 -10.581 -33.145 1.00 25.00 C ATOM 7 SD MET A 80 17.187 -11.610 -34.365 1.00 25.00 S ATOM 8 CE MET A 80 16.393 -13.221 -34.067 1.00 25.00 C ATOM 0 HA MET A 80 14.949 -8.308 -32.335 1.00 25.00 H new ATOM 0 HB2 MET A 80 16.596 -8.737 -34.234 1.00 25.00 H new ATOM 0 HB3 MET A 80 17.842 -9.055 -33.043 1.00 25.00 H new ATOM 0 HG2 MET A 80 16.503 -10.966 -32.143 1.00 25.00 H new ATOM 0 HG3 MET A 80 15.242 -10.642 -33.315 1.00 25.00 H new ATOM 0 HE1 MET A 80 16.818 -13.966 -34.740 1.00 25.00 H new ATOM 0 HE2 MET A 80 16.564 -13.525 -33.034 1.00 25.00 H new ATOM 0 HE3 MET A 80 15.321 -13.137 -34.248 1.00 25.00 H new ATOM 18 N GLY A 81 15.284 -9.167 -30.098 1.00 25.00 N ATOM 19 CA GLY A 81 15.370 -9.587 -28.700 1.00 25.00 C ATOM 20 C GLY A 81 15.243 -8.411 -27.750 1.00 25.00 C ATOM 21 O GLY A 81 14.565 -8.496 -26.735 1.00 25.00 O ATOM 0 H GLY A 81 14.353 -9.279 -30.500 1.00 25.00 H new ATOM 0 HA2 GLY A 81 14.583 -10.311 -28.489 1.00 25.00 H new ATOM 0 HA3 GLY A 81 16.321 -10.091 -28.530 1.00 25.00 H new ATOM 25 N HIS A 82 15.863 -7.300 -28.134 1.00 25.00 N ATOM 26 CA HIS A 82 15.765 -6.005 -27.445 1.00 25.00 C ATOM 27 C HIS A 82 16.182 -6.019 -25.971 1.00 25.00 C ATOM 28 O HIS A 82 15.825 -5.123 -25.211 1.00 25.00 O ATOM 29 CB HIS A 82 14.339 -5.456 -27.590 1.00 25.00 C ATOM 30 CG HIS A 82 13.780 -5.623 -28.969 1.00 25.00 C ATOM 31 ND1 HIS A 82 14.157 -4.877 -30.056 1.00 25.00 N ATOM 32 CD2 HIS A 82 12.852 -6.498 -29.446 1.00 25.00 C ATOM 33 CE1 HIS A 82 13.480 -5.311 -31.113 1.00 25.00 C ATOM 34 NE2 HIS A 82 12.671 -6.304 -30.801 1.00 25.00 N ATOM 0 H HIS A 82 16.466 -7.268 -28.956 1.00 25.00 H new ATOM 0 HA HIS A 82 16.488 -5.353 -27.934 1.00 25.00 H new ATOM 0 HB2 HIS A 82 13.688 -5.962 -26.877 1.00 25.00 H new ATOM 0 HB3 HIS A 82 14.336 -4.398 -27.329 1.00 25.00 H new ATOM 0 HD2 HIS A 82 12.334 -7.236 -28.852 1.00 25.00 H new ATOM 0 HE1 HIS A 82 13.580 -4.900 -32.107 1.00 25.00 H new ATOM 0 HE2 HIS A 82 12.048 -6.817 -31.424 1.00 25.00 H new ATOM 42 N HIS A 83 16.964 -7.012 -25.576 1.00 25.00 N ATOM 43 CA HIS A 83 17.463 -7.093 -24.212 1.00 25.00 C ATOM 44 C HIS A 83 18.905 -7.570 -24.201 1.00 25.00 C ATOM 45 O HIS A 83 19.236 -8.581 -24.811 1.00 25.00 O ATOM 46 CB HIS A 83 16.611 -8.060 -23.389 1.00 25.00 C ATOM 47 CG HIS A 83 17.106 -8.242 -21.989 1.00 25.00 C ATOM 48 ND1 HIS A 83 16.753 -7.443 -20.931 1.00 25.00 N ATOM 49 CD2 HIS A 83 17.965 -9.160 -21.467 1.00 25.00 C ATOM 50 CE1 HIS A 83 17.387 -7.881 -19.848 1.00 25.00 C ATOM 51 NE2 HIS A 83 18.148 -8.923 -20.119 1.00 25.00 N ATOM 0 H HIS A 83 17.267 -7.774 -26.182 1.00 25.00 H new ATOM 0 HA HIS A 83 17.408 -6.097 -23.773 1.00 25.00 H new ATOM 0 HB2 HIS A 83 15.585 -7.694 -23.359 1.00 25.00 H new ATOM 0 HB3 HIS A 83 16.589 -9.029 -23.888 1.00 25.00 H new ATOM 0 HD1 HIS A 83 16.114 -6.649 -20.969 1.00 25.00 H new ATOM 0 HD2 HIS A 83 18.434 -9.957 -22.025 1.00 25.00 H new ATOM 0 HE1 HIS A 83 17.291 -7.438 -18.868 1.00 25.00 H new ATOM 59 N HIS A 84 19.745 -6.846 -23.477 1.00 25.00 N ATOM 60 CA HIS A 84 21.140 -7.223 -23.275 1.00 25.00 C ATOM 61 C HIS A 84 21.610 -6.535 -21.994 1.00 25.00 C ATOM 62 O HIS A 84 22.134 -5.423 -22.028 1.00 25.00 O ATOM 63 CB HIS A 84 22.008 -6.790 -24.467 1.00 25.00 C ATOM 64 CG HIS A 84 23.373 -7.405 -24.468 1.00 25.00 C ATOM 65 ND1 HIS A 84 24.309 -7.220 -23.480 1.00 25.00 N ATOM 66 CD2 HIS A 84 23.967 -8.240 -25.364 1.00 25.00 C ATOM 67 CE1 HIS A 84 25.392 -7.923 -23.797 1.00 25.00 C ATOM 68 NE2 HIS A 84 25.242 -8.558 -24.941 1.00 25.00 N ATOM 0 H HIS A 84 19.480 -5.978 -23.011 1.00 25.00 H new ATOM 0 HA HIS A 84 21.232 -8.306 -23.192 1.00 25.00 H new ATOM 0 HB2 HIS A 84 21.498 -7.056 -25.393 1.00 25.00 H new ATOM 0 HB3 HIS A 84 22.107 -5.705 -24.458 1.00 25.00 H new ATOM 0 HD2 HIS A 84 23.508 -8.601 -26.273 1.00 25.00 H new ATOM 0 HE1 HIS A 84 26.285 -7.968 -23.191 1.00 25.00 H new ATOM 0 HE2 HIS A 84 25.921 -9.156 -25.412 1.00 25.00 H new ATOM 76 N HIS A 85 21.348 -7.149 -20.852 1.00 25.00 N ATOM 77 CA HIS A 85 21.726 -6.538 -19.583 1.00 25.00 C ATOM 78 C HIS A 85 23.244 -6.584 -19.401 1.00 25.00 C ATOM 79 O HIS A 85 23.948 -7.264 -20.144 1.00 25.00 O ATOM 80 CB HIS A 85 21.025 -7.228 -18.411 1.00 25.00 C ATOM 81 CG HIS A 85 21.428 -8.656 -18.214 1.00 25.00 C ATOM 82 ND1 HIS A 85 20.693 -9.735 -18.640 1.00 25.00 N ATOM 83 CD2 HIS A 85 22.517 -9.194 -17.595 1.00 25.00 C ATOM 84 CE1 HIS A 85 21.338 -10.842 -18.289 1.00 25.00 C ATOM 85 NE2 HIS A 85 22.454 -10.574 -17.644 1.00 25.00 N ATOM 0 H HIS A 85 20.884 -8.054 -20.774 1.00 25.00 H new ATOM 0 HA HIS A 85 21.407 -5.496 -19.600 1.00 25.00 H new ATOM 0 HB2 HIS A 85 21.236 -6.673 -17.497 1.00 25.00 H new ATOM 0 HB3 HIS A 85 19.947 -7.184 -18.569 1.00 25.00 H new ATOM 0 HD1 HIS A 85 19.805 -9.694 -19.140 1.00 25.00 H new ATOM 0 HD2 HIS A 85 23.312 -8.626 -17.134 1.00 25.00 H new ATOM 0 HE1 HIS A 85 20.989 -11.841 -18.506 1.00 25.00 H new ATOM 93 N HIS A 86 23.739 -5.846 -18.416 1.00 25.00 N ATOM 94 CA HIS A 86 25.174 -5.808 -18.122 1.00 25.00 C ATOM 95 C HIS A 86 25.403 -5.779 -16.610 1.00 25.00 C ATOM 96 O HIS A 86 26.061 -6.652 -16.067 1.00 25.00 O ATOM 97 CB HIS A 86 25.809 -4.581 -18.791 1.00 25.00 C ATOM 98 CG HIS A 86 27.307 -4.574 -18.746 1.00 25.00 C ATOM 99 ND1 HIS A 86 28.085 -3.484 -19.046 1.00 25.00 N ATOM 100 CD2 HIS A 86 28.192 -5.567 -18.444 1.00 25.00 C ATOM 101 CE1 HIS A 86 29.362 -3.837 -18.918 1.00 25.00 C ATOM 102 NE2 HIS A 86 29.485 -5.095 -18.547 1.00 25.00 N ATOM 0 H HIS A 86 23.170 -5.262 -17.803 1.00 25.00 H new ATOM 0 HA HIS A 86 25.645 -6.706 -18.521 1.00 25.00 H new ATOM 0 HB2 HIS A 86 25.486 -4.538 -19.831 1.00 25.00 H new ATOM 0 HB3 HIS A 86 25.436 -3.680 -18.304 1.00 25.00 H new ATOM 0 HD2 HIS A 86 27.921 -6.575 -18.165 1.00 25.00 H new ATOM 0 HE1 HIS A 86 30.195 -3.173 -19.096 1.00 25.00 H new ATOM 0 HE2 HIS A 86 30.349 -5.609 -18.373 1.00 25.00 H new ATOM 110 N HIS A 87 24.814 -4.786 -15.948 1.00 25.00 N ATOM 111 CA HIS A 87 24.834 -4.649 -14.477 1.00 25.00 C ATOM 112 C HIS A 87 26.228 -4.658 -13.822 1.00 25.00 C ATOM 113 O HIS A 87 26.361 -5.007 -12.656 1.00 25.00 O ATOM 114 CB HIS A 87 23.969 -5.744 -13.829 1.00 25.00 C ATOM 115 CG HIS A 87 22.567 -5.801 -14.355 1.00 25.00 C ATOM 116 ND1 HIS A 87 21.830 -6.954 -14.459 1.00 25.00 N ATOM 117 CD2 HIS A 87 21.739 -4.813 -14.796 1.00 25.00 C ATOM 118 CE1 HIS A 87 20.630 -6.640 -14.938 1.00 25.00 C ATOM 119 NE2 HIS A 87 20.524 -5.348 -15.175 1.00 25.00 N ATOM 0 H HIS A 87 24.300 -4.039 -16.416 1.00 25.00 H new ATOM 0 HA HIS A 87 24.429 -3.654 -14.294 1.00 25.00 H new ATOM 0 HB2 HIS A 87 24.446 -6.711 -13.988 1.00 25.00 H new ATOM 0 HB3 HIS A 87 23.936 -5.578 -12.752 1.00 25.00 H new ATOM 0 HD2 HIS A 87 21.995 -3.765 -14.842 1.00 25.00 H new ATOM 0 HE1 HIS A 87 19.840 -7.355 -15.111 1.00 25.00 H new ATOM 0 HE2 HIS A 87 19.719 -4.851 -15.556 1.00 25.00 H new ATOM 127 N HIS A 88 27.265 -4.272 -14.551 1.00 25.00 N ATOM 128 CA HIS A 88 28.597 -4.204 -13.955 1.00 25.00 C ATOM 129 C HIS A 88 28.674 -2.998 -13.014 1.00 25.00 C ATOM 130 O HIS A 88 28.023 -1.975 -13.247 1.00 25.00 O ATOM 131 CB HIS A 88 29.687 -4.135 -15.037 1.00 25.00 C ATOM 132 CG HIS A 88 29.981 -2.749 -15.531 1.00 25.00 C ATOM 133 ND1 HIS A 88 29.051 -1.890 -16.061 1.00 25.00 N ATOM 134 CD2 HIS A 88 31.157 -2.061 -15.574 1.00 25.00 C ATOM 135 CE1 HIS A 88 29.665 -0.758 -16.387 1.00 25.00 C ATOM 136 NE2 HIS A 88 30.953 -0.809 -16.118 1.00 25.00 N ATOM 0 H HIS A 88 27.217 -4.006 -15.535 1.00 25.00 H new ATOM 0 HA HIS A 88 28.773 -5.113 -13.380 1.00 25.00 H new ATOM 0 HB2 HIS A 88 30.605 -4.569 -14.640 1.00 25.00 H new ATOM 0 HB3 HIS A 88 29.383 -4.752 -15.882 1.00 25.00 H new ATOM 0 HD2 HIS A 88 32.109 -2.440 -15.232 1.00 25.00 H new ATOM 0 HE1 HIS A 88 29.169 0.098 -16.819 1.00 25.00 H new ATOM 0 HE2 HIS A 88 31.649 -0.081 -16.277 1.00 25.00 H new ATOM 144 N HIS A 89 29.466 -3.120 -11.959 1.00 25.00 N ATOM 145 CA HIS A 89 29.645 -2.042 -10.986 1.00 25.00 C ATOM 146 C HIS A 89 31.122 -1.950 -10.612 1.00 25.00 C ATOM 147 O HIS A 89 31.503 -2.162 -9.463 1.00 25.00 O ATOM 148 CB HIS A 89 28.783 -2.291 -9.742 1.00 25.00 C ATOM 149 CG HIS A 89 27.310 -2.219 -10.008 1.00 25.00 C ATOM 150 ND1 HIS A 89 26.625 -1.054 -10.242 1.00 25.00 N ATOM 151 CD2 HIS A 89 26.368 -3.200 -10.079 1.00 25.00 C ATOM 152 CE1 HIS A 89 25.345 -1.352 -10.436 1.00 25.00 C ATOM 153 NE2 HIS A 89 25.128 -2.647 -10.342 1.00 25.00 N ATOM 0 H HIS A 89 30.002 -3.962 -11.750 1.00 25.00 H new ATOM 0 HA HIS A 89 29.326 -1.097 -11.426 1.00 25.00 H new ATOM 0 HB2 HIS A 89 29.023 -3.273 -9.335 1.00 25.00 H new ATOM 0 HB3 HIS A 89 29.042 -1.558 -8.978 1.00 25.00 H new ATOM 0 HD2 HIS A 89 26.561 -4.255 -9.949 1.00 25.00 H new ATOM 0 HE1 HIS A 89 24.577 -0.622 -10.645 1.00 25.00 H new ATOM 0 HE2 HIS A 89 24.239 -3.136 -10.442 1.00 25.00 H new ATOM 161 N HIS A 90 31.954 -1.679 -11.606 1.00 25.00 N ATOM 162 CA HIS A 90 33.400 -1.606 -11.412 1.00 25.00 C ATOM 163 C HIS A 90 33.937 -0.390 -12.152 1.00 25.00 C ATOM 164 O HIS A 90 33.244 0.179 -12.991 1.00 25.00 O ATOM 165 CB HIS A 90 34.073 -2.876 -11.946 1.00 0.00 C ATOM 166 CG HIS A 90 33.561 -4.135 -11.312 1.00 25.00 C ATOM 167 ND1 HIS A 90 33.672 -4.430 -9.976 1.00 25.00 N ATOM 168 CD2 HIS A 90 32.910 -5.199 -11.857 1.00 25.00 C ATOM 169 CE1 HIS A 90 33.103 -5.612 -9.764 1.00 25.00 C ATOM 170 NE2 HIS A 90 32.619 -6.125 -10.877 1.00 25.00 N ATOM 0 H HIS A 90 31.652 -1.504 -12.564 1.00 25.00 H new ATOM 0 HA HIS A 90 33.618 -1.519 -10.348 1.00 25.00 H new ATOM 0 HB2 HIS A 90 33.920 -2.933 -13.024 1.00 0.00 H new ATOM 0 HB3 HIS A 90 35.148 -2.806 -11.780 1.00 0.00 H new ATOM 0 HD2 HIS A 90 32.659 -5.303 -12.902 1.00 25.00 H new ATOM 0 HE1 HIS A 90 33.044 -6.093 -8.799 1.00 25.00 H new ATOM 0 HE2 HIS A 90 32.134 -7.015 -10.990 1.00 25.00 H new ATOM 178 N HIS A 91 35.167 -0.005 -11.848 1.00 25.00 N ATOM 179 CA HIS A 91 35.808 1.128 -12.500 1.00 25.00 C ATOM 180 C HIS A 91 37.270 0.770 -12.720 1.00 25.00 C ATOM 181 O HIS A 91 37.806 -0.094 -12.026 1.00 25.00 O ATOM 182 CB HIS A 91 35.688 2.378 -11.625 1.00 25.00 C ATOM 183 CG HIS A 91 35.790 3.657 -12.395 1.00 25.00 C ATOM 184 ND1 HIS A 91 34.761 4.203 -13.119 1.00 25.00 N ATOM 185 CD2 HIS A 91 36.837 4.514 -12.568 1.00 25.00 C ATOM 186 CE1 HIS A 91 35.196 5.325 -13.681 1.00 25.00 C ATOM 187 NE2 HIS A 91 36.456 5.563 -13.380 1.00 25.00 N ATOM 0 H HIS A 91 35.747 -0.466 -11.147 1.00 25.00 H new ATOM 0 HA HIS A 91 35.326 1.343 -13.454 1.00 25.00 H new ATOM 0 HB2 HIS A 91 34.733 2.354 -11.100 1.00 25.00 H new ATOM 0 HB3 HIS A 91 36.470 2.357 -10.866 1.00 25.00 H new ATOM 0 HD2 HIS A 91 37.818 4.390 -12.134 1.00 25.00 H new ATOM 0 HE1 HIS A 91 34.591 5.964 -14.308 1.00 25.00 H new ATOM 0 HE2 HIS A 91 37.027 6.352 -13.682 1.00 25.00 H new ATOM 195 N SER A 92 37.906 1.410 -13.688 1.00 25.00 N ATOM 196 CA SER A 92 39.316 1.174 -13.974 1.00 25.00 C ATOM 197 C SER A 92 40.172 2.091 -13.103 1.00 25.00 C ATOM 198 O SER A 92 39.654 2.978 -12.434 1.00 25.00 O ATOM 199 CB SER A 92 39.584 1.456 -15.454 1.00 25.00 C ATOM 200 OG SER A 92 39.132 2.754 -15.792 1.00 25.00 O ATOM 0 H SER A 92 37.466 2.102 -14.294 1.00 25.00 H new ATOM 0 HA SER A 92 39.570 0.137 -13.754 1.00 25.00 H new ATOM 0 HB2 SER A 92 40.650 1.368 -15.661 1.00 25.00 H new ATOM 0 HB3 SER A 92 39.077 0.714 -16.071 1.00 25.00 H new ATOM 0 HG SER A 92 39.309 2.926 -16.740 1.00 25.00 H new ATOM 206 N SER A 93 41.481 1.884 -13.133 1.00 25.00 N ATOM 207 CA SER A 93 42.424 2.741 -12.407 1.00 25.00 C ATOM 208 C SER A 93 43.729 2.825 -13.193 1.00 25.00 C ATOM 209 O SER A 93 44.157 3.898 -13.594 1.00 25.00 O ATOM 210 CB SER A 93 42.687 2.184 -11.003 1.00 25.00 C ATOM 211 OG SER A 93 43.567 3.028 -10.284 1.00 25.00 O ATOM 0 H SER A 93 41.922 1.126 -13.654 1.00 25.00 H new ATOM 0 HA SER A 93 41.995 3.738 -12.302 1.00 25.00 H new ATOM 0 HB2 SER A 93 41.745 2.088 -10.463 1.00 25.00 H new ATOM 0 HB3 SER A 93 43.115 1.184 -11.078 1.00 25.00 H new ATOM 0 HG SER A 93 43.720 2.656 -9.391 1.00 25.00 H new ATOM 217 N GLY A 94 44.318 1.672 -13.479 1.00 25.00 N ATOM 218 CA GLY A 94 45.545 1.629 -14.256 1.00 25.00 C ATOM 219 C GLY A 94 46.763 1.572 -13.358 1.00 25.00 C ATOM 220 O GLY A 94 46.653 1.234 -12.185 1.00 25.00 O ATOM 0 H GLY A 94 43.967 0.760 -13.186 1.00 25.00 H new ATOM 0 HA2 GLY A 94 45.533 0.758 -14.911 1.00 25.00 H new ATOM 0 HA3 GLY A 94 45.604 2.509 -14.896 1.00 25.00 H new ATOM 224 N HIS A 95 47.924 1.861 -13.926 1.00 25.00 N ATOM 225 CA HIS A 95 49.195 1.840 -13.208 1.00 25.00 C ATOM 226 C HIS A 95 50.118 2.701 -14.051 1.00 25.00 C ATOM 227 O HIS A 95 49.837 2.888 -15.237 1.00 25.00 O ATOM 228 CB HIS A 95 49.740 0.406 -13.111 1.00 25.00 C ATOM 229 CG HIS A 95 50.011 -0.222 -14.446 1.00 25.00 C ATOM 230 ND1 HIS A 95 51.265 -0.225 -15.054 1.00 25.00 N ATOM 231 CD2 HIS A 95 49.204 -0.876 -15.325 1.00 25.00 C ATOM 232 CE1 HIS A 95 51.178 -0.833 -16.224 1.00 25.00 C ATOM 233 NE2 HIS A 95 49.949 -1.237 -16.406 1.00 25.00 N ATOM 0 H HIS A 95 48.014 2.120 -14.909 1.00 25.00 H new ATOM 0 HA HIS A 95 49.099 2.205 -12.185 1.00 25.00 H new ATOM 0 HB2 HIS A 95 50.661 0.414 -12.528 1.00 25.00 H new ATOM 0 HB3 HIS A 95 49.024 -0.210 -12.567 1.00 25.00 H new ATOM 0 HD1 HIS A 95 52.115 0.178 -14.659 1.00 25.00 H new ATOM 0 HD2 HIS A 95 48.151 -1.075 -15.188 1.00 25.00 H new ATOM 0 HE1 HIS A 95 51.993 -0.974 -16.919 1.00 25.00 H new ATOM 241 N ILE A 96 51.192 3.208 -13.466 1.00 25.00 N ATOM 242 CA ILE A 96 52.182 4.000 -14.198 1.00 25.00 C ATOM 243 C ILE A 96 53.555 3.616 -13.663 1.00 25.00 C ATOM 244 O ILE A 96 53.685 3.235 -12.503 1.00 25.00 O ATOM 245 CB ILE A 96 51.967 5.558 -14.049 1.00 25.00 C ATOM 246 CG1 ILE A 96 52.043 6.015 -12.575 1.00 25.00 C ATOM 247 CG2 ILE A 96 50.607 5.988 -14.644 1.00 25.00 C ATOM 248 CD1 ILE A 96 53.352 6.738 -12.217 1.00 25.00 C ATOM 0 H ILE A 96 51.406 3.086 -12.476 1.00 25.00 H new ATOM 0 HA ILE A 96 52.082 3.783 -15.261 1.00 25.00 H new ATOM 0 HB ILE A 96 52.775 6.038 -14.601 1.00 25.00 H new ATOM 0 HG12 ILE A 96 51.204 6.678 -12.366 1.00 25.00 H new ATOM 0 HG13 ILE A 96 51.931 5.145 -11.928 1.00 25.00 H new ATOM 0 HG21 ILE A 96 50.484 7.065 -14.529 1.00 25.00 H new ATOM 0 HG22 ILE A 96 50.575 5.730 -15.703 1.00 25.00 H new ATOM 0 HG23 ILE A 96 49.802 5.472 -14.121 1.00 25.00 H new ATOM 0 HD11 ILE A 96 53.332 7.028 -11.167 1.00 25.00 H new ATOM 0 HD12 ILE A 96 54.196 6.071 -12.393 1.00 25.00 H new ATOM 0 HD13 ILE A 96 53.458 7.628 -12.837 1.00 25.00 H new ATOM 260 N GLU A 97 54.563 3.717 -14.512 1.00 25.00 N ATOM 261 CA GLU A 97 55.938 3.401 -14.146 1.00 25.00 C ATOM 262 C GLU A 97 56.783 4.537 -14.696 1.00 25.00 C ATOM 263 O GLU A 97 56.363 5.225 -15.625 1.00 25.00 O ATOM 264 CB GLU A 97 56.389 2.072 -14.770 1.00 25.00 C ATOM 265 CG GLU A 97 55.792 0.816 -14.122 1.00 25.00 C ATOM 266 CD GLU A 97 54.336 0.577 -14.503 1.00 25.00 C ATOM 267 OE1 GLU A 97 54.017 0.527 -15.713 1.00 25.00 O ATOM 268 OE2 GLU A 97 53.500 0.390 -13.595 1.00 25.00 O1- ATOM 0 H GLU A 97 54.453 4.022 -15.479 1.00 25.00 H new ATOM 0 HA GLU A 97 56.037 3.296 -13.066 1.00 25.00 H new ATOM 0 HB2 GLU A 97 56.126 2.077 -15.828 1.00 25.00 H new ATOM 0 HB3 GLU A 97 57.476 2.011 -14.712 1.00 25.00 H new ATOM 0 HG2 GLU A 97 56.384 -0.052 -14.414 1.00 25.00 H new ATOM 0 HG3 GLU A 97 55.867 0.904 -13.038 1.00 25.00 H new ATOM 275 N GLY A 98 57.959 4.746 -14.126 1.00 25.00 N ATOM 276 CA GLY A 98 58.825 5.820 -14.568 1.00 25.00 C ATOM 277 C GLY A 98 60.080 5.833 -13.730 1.00 25.00 C ATOM 278 O GLY A 98 60.270 4.946 -12.899 1.00 25.00 O ATOM 0 H GLY A 98 58.332 4.187 -13.359 1.00 25.00 H new ATOM 0 HA2 GLY A 98 59.079 5.687 -15.620 1.00 25.00 H new ATOM 0 HA3 GLY A 98 58.308 6.776 -14.483 1.00 25.00 H new ATOM 282 N ARG A 99 60.929 6.831 -13.931 1.00 25.00 N ATOM 283 CA ARG A 99 62.166 6.973 -13.165 1.00 25.00 C ATOM 284 C ARG A 99 62.253 8.416 -12.709 1.00 25.00 C ATOM 285 O ARG A 99 62.132 9.329 -13.506 1.00 25.00 O ATOM 286 CB ARG A 99 63.372 6.586 -14.043 1.00 25.00 C ATOM 287 CG ARG A 99 64.738 7.187 -13.638 1.00 25.00 C ATOM 288 CD ARG A 99 65.284 6.671 -12.301 1.00 25.00 C ATOM 289 NE ARG A 99 66.578 7.314 -12.022 1.00 25.00 N ATOM 290 CZ ARG A 99 67.285 7.193 -10.904 1.00 25.00 C ATOM 291 NH1 ARG A 99 66.896 6.473 -9.883 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 68.417 7.819 -10.819 1.00 25.00 N ATOM 0 H ARG A 99 60.784 7.564 -14.626 1.00 25.00 H new ATOM 0 HA ARG A 99 62.173 6.313 -12.298 1.00 25.00 H new ATOM 0 HB2 ARG A 99 63.462 5.500 -14.040 1.00 25.00 H new ATOM 0 HB3 ARG A 99 63.158 6.885 -15.069 1.00 25.00 H new ATOM 0 HG2 ARG A 99 65.464 6.970 -14.422 1.00 25.00 H new ATOM 0 HG3 ARG A 99 64.643 8.271 -13.584 1.00 25.00 H new ATOM 0 HD2 ARG A 99 64.578 6.887 -11.499 1.00 25.00 H new ATOM 0 HD3 ARG A 99 65.404 5.588 -12.338 1.00 25.00 H new ATOM 0 HE ARG A 99 66.968 7.907 -12.755 1.00 25.00 H new ATOM 0 HH11 ARG A 99 66.010 5.970 -9.922 1.00 25.00 H new ATOM 0 HH12 ARG A 99 67.479 6.415 -9.048 1.00 25.00 H new ATOM 0 HH21 ARG A 99 68.745 8.388 -11.600 1.00 25.00 H new ATOM 0 HH22 ARG A 99 68.979 7.743 -9.972 1.00 25.00 H new ATOM 306 N HIS A 100 62.475 8.597 -11.422 1.00 25.00 N ATOM 307 CA HIS A 100 62.692 9.903 -10.821 1.00 25.00 C ATOM 308 C HIS A 100 63.696 9.593 -9.728 1.00 25.00 C ATOM 309 O HIS A 100 63.964 8.413 -9.465 1.00 25.00 O ATOM 310 CB HIS A 100 61.394 10.482 -10.246 1.00 25.00 C ATOM 311 CG HIS A 100 60.844 11.627 -11.041 1.00 25.00 C ATOM 312 ND1 HIS A 100 60.877 11.712 -12.412 1.00 25.00 N ATOM 313 CD2 HIS A 100 60.239 12.779 -10.633 1.00 25.00 C ATOM 314 CE1 HIS A 100 60.306 12.854 -12.772 1.00 25.00 C ATOM 315 NE2 HIS A 100 59.899 13.546 -11.728 1.00 25.00 N ATOM 0 H HIS A 100 62.511 7.829 -10.751 1.00 25.00 H new ATOM 0 HA HIS A 100 63.038 10.656 -11.529 1.00 25.00 H new ATOM 0 HB2 HIS A 100 60.645 9.692 -10.196 1.00 25.00 H new ATOM 0 HB3 HIS A 100 61.576 10.814 -9.224 1.00 25.00 H new ATOM 0 HD1 HIS A 100 61.273 11.016 -13.044 1.00 25.00 H new ATOM 0 HD2 HIS A 100 60.053 13.051 -9.604 1.00 25.00 H new ATOM 0 HE1 HIS A 100 60.189 13.177 -13.796 1.00 25.00 H new ATOM 323 N MET A 101 64.269 10.613 -9.121 1.00 25.00 N ATOM 324 CA MET A 101 65.301 10.434 -8.110 1.00 25.00 C ATOM 325 C MET A 101 65.119 11.483 -7.022 1.00 25.00 C ATOM 326 O MET A 101 64.325 12.410 -7.177 1.00 25.00 O ATOM 327 CB MET A 101 66.676 10.553 -8.771 1.00 25.00 C ATOM 328 CG MET A 101 66.950 11.899 -9.383 1.00 25.00 C ATOM 329 SD MET A 101 68.489 11.878 -10.278 1.00 25.00 S ATOM 330 CE MET A 101 68.672 13.608 -10.569 1.00 25.00 C ATOM 0 H MET A 101 64.036 11.588 -9.311 1.00 25.00 H new ATOM 0 HA MET A 101 65.223 9.447 -7.653 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.444 10.341 -8.027 1.00 25.00 H new ATOM 0 HB3 MET A 101 66.762 9.790 -9.545 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.136 12.172 -10.055 1.00 25.00 H new ATOM 0 HG3 MET A 101 66.987 12.659 -8.602 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.349 13.766 -11.409 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.700 14.043 -10.800 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.081 14.086 -9.679 1.00 25.00 H new ATOM 340 N LEU A 102 65.835 11.316 -5.919 1.00 25.00 N ATOM 341 CA LEU A 102 65.734 12.224 -4.782 1.00 25.00 C ATOM 342 C LEU A 102 67.107 12.812 -4.488 1.00 25.00 C ATOM 343 O LEU A 102 68.091 12.074 -4.378 1.00 25.00 O ATOM 344 CB LEU A 102 65.224 11.460 -3.554 1.00 25.00 C ATOM 345 CG LEU A 102 64.835 12.331 -2.347 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.412 12.875 -2.508 1.00 25.00 C ATOM 347 CD2 LEU A 102 64.931 11.517 -1.059 1.00 25.00 C ATOM 0 H LEU A 102 66.499 10.553 -5.786 1.00 25.00 H new ATOM 0 HA LEU A 102 65.036 13.027 -5.016 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.356 10.870 -3.849 1.00 25.00 H new ATOM 0 HB3 LEU A 102 65.995 10.757 -3.239 1.00 25.00 H new ATOM 0 HG LEU A 102 65.527 13.171 -2.295 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.157 13.488 -1.644 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.354 13.481 -3.412 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.711 12.044 -2.583 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.654 12.143 -0.211 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.255 10.664 -1.117 1.00 25.00 H new ATOM 0 HD23 LEU A 102 65.953 11.162 -0.928 1.00 25.00 H new ATOM 359 N LEU A 103 67.168 14.127 -4.349 1.00 25.00 N ATOM 360 CA LEU A 103 68.413 14.822 -4.018 1.00 25.00 C ATOM 361 C LEU A 103 68.203 15.577 -2.732 1.00 25.00 C ATOM 362 O LEU A 103 67.100 16.039 -2.463 1.00 25.00 O ATOM 363 CB LEU A 103 68.793 15.823 -5.111 1.00 25.00 C ATOM 364 CG LEU A 103 69.219 15.238 -6.459 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.455 16.375 -7.432 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.483 14.427 -6.328 1.00 25.00 C ATOM 0 H LEU A 103 66.364 14.744 -4.461 1.00 25.00 H new ATOM 0 HA LEU A 103 69.213 14.088 -3.925 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.942 16.482 -5.280 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.607 16.443 -4.736 1.00 25.00 H new ATOM 0 HG LEU A 103 68.428 14.580 -6.819 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.759 15.971 -8.397 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.535 16.948 -7.552 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.240 17.026 -7.047 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.760 14.025 -7.303 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.286 15.063 -5.956 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.318 13.606 -5.630 1.00 25.00 H new ATOM 378 N THR A 104 69.256 15.726 -1.949 1.00 25.00 N ATOM 379 CA THR A 104 69.171 16.472 -0.700 1.00 25.00 C ATOM 380 C THR A 104 69.723 17.871 -0.953 1.00 25.00 C ATOM 381 O THR A 104 70.653 18.050 -1.729 1.00 25.00 O ATOM 382 CB THR A 104 69.957 15.749 0.413 1.00 25.00 C ATOM 383 OG1 THR A 104 69.527 14.388 0.474 1.00 25.00 O ATOM 384 CG2 THR A 104 69.718 16.378 1.782 1.00 25.00 C ATOM 0 H THR A 104 70.179 15.343 -2.152 1.00 25.00 H new ATOM 0 HA THR A 104 68.136 16.542 -0.365 1.00 25.00 H new ATOM 0 HB THR A 104 71.017 15.828 0.173 1.00 25.00 H new ATOM 0 HG1 THR A 104 70.023 13.920 1.178 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.291 15.838 2.536 1.00 25.00 H new ATOM 0 HG22 THR A 104 70.035 17.421 1.764 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.657 16.326 2.026 1.00 25.00 H new ATOM 392 N VAL A 105 69.128 18.866 -0.327 1.00 25.00 N ATOM 393 CA VAL A 105 69.550 20.246 -0.480 1.00 25.00 C ATOM 394 C VAL A 105 69.827 20.788 0.908 1.00 25.00 C ATOM 395 O VAL A 105 68.998 20.647 1.807 1.00 25.00 O ATOM 396 CB VAL A 105 68.439 21.082 -1.140 1.00 25.00 C ATOM 397 CG1 VAL A 105 68.880 22.535 -1.319 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.027 20.483 -2.499 1.00 25.00 C ATOM 0 H VAL A 105 68.336 18.742 0.304 1.00 25.00 H new ATOM 0 HA VAL A 105 70.436 20.300 -1.113 1.00 25.00 H new ATOM 0 HB VAL A 105 67.574 21.060 -0.477 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.077 23.104 -1.787 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.111 22.968 -0.346 1.00 25.00 H new ATOM 0 HG13 VAL A 105 69.767 22.571 -1.952 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.241 21.094 -2.943 1.00 25.00 H new ATOM 0 HG22 VAL A 105 68.890 20.463 -3.165 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.658 19.468 -2.352 1.00 25.00 H new ATOM 408 N TYR A 106 70.987 21.393 1.096 1.00 25.00 N ATOM 409 CA TYR A 106 71.362 21.967 2.383 1.00 25.00 C ATOM 410 C TYR A 106 71.595 23.467 2.208 1.00 25.00 C ATOM 411 O TYR A 106 72.544 23.882 1.548 1.00 25.00 O ATOM 412 CB TYR A 106 72.621 21.266 2.899 1.00 25.00 C ATOM 413 CG TYR A 106 72.800 21.367 4.396 1.00 25.00 C ATOM 414 CD1 TYR A 106 73.019 22.611 5.020 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.749 20.212 5.205 1.00 25.00 C ATOM 416 CE1 TYR A 106 73.194 22.699 6.424 1.00 25.00 C ATOM 417 CE2 TYR A 106 72.914 20.299 6.612 1.00 25.00 C ATOM 418 CZ TYR A 106 73.140 21.544 7.205 1.00 25.00 C ATOM 419 OH TYR A 106 73.311 21.639 8.560 1.00 25.00 O ATOM 0 H TYR A 106 71.693 21.501 0.368 1.00 25.00 H new ATOM 0 HA TYR A 106 70.567 21.823 3.114 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.582 20.214 2.616 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.494 21.696 2.407 1.00 25.00 H new ATOM 0 HD1 TYR A 106 73.054 23.509 4.421 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.582 19.248 4.747 1.00 25.00 H new ATOM 0 HE1 TYR A 106 73.369 23.658 6.888 1.00 25.00 H new ATOM 0 HE2 TYR A 106 72.865 19.408 7.221 1.00 25.00 H new ATOM 0 HH TYR A 106 73.245 20.747 8.961 1.00 25.00 H new ATOM 429 N CYS A 107 70.719 24.283 2.770 1.00 25.00 N ATOM 430 CA CYS A 107 70.825 25.735 2.643 1.00 25.00 C ATOM 431 C CYS A 107 71.504 26.286 3.887 1.00 25.00 C ATOM 432 O CYS A 107 71.070 26.023 4.995 1.00 25.00 O ATOM 433 CB CYS A 107 69.435 26.348 2.490 1.00 25.00 C ATOM 434 SG CYS A 107 68.541 25.716 1.053 1.00 25.00 S ATOM 0 H CYS A 107 69.922 23.967 3.322 1.00 25.00 H new ATOM 0 HA CYS A 107 71.413 25.987 1.761 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.854 26.147 3.390 1.00 25.00 H new ATOM 0 HB3 CYS A 107 69.528 27.431 2.406 1.00 25.00 H new ATOM 0 HG CYS A 107 67.371 26.278 0.988 1.00 25.00 H new ATOM 440 N VAL A 108 72.591 27.016 3.699 1.00 25.00 N ATOM 441 CA VAL A 108 73.414 27.508 4.801 1.00 25.00 C ATOM 442 C VAL A 108 73.375 29.028 4.899 1.00 25.00 C ATOM 443 O VAL A 108 73.610 29.739 3.911 1.00 25.00 O ATOM 444 CB VAL A 108 74.907 27.068 4.605 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.782 27.508 5.799 1.00 25.00 C ATOM 446 CG2 VAL A 108 75.005 25.549 4.440 1.00 25.00 C ATOM 0 H VAL A 108 72.932 27.287 2.777 1.00 25.00 H new ATOM 0 HA VAL A 108 73.006 27.081 5.717 1.00 25.00 H new ATOM 0 HB VAL A 108 75.274 27.556 3.702 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.811 27.188 5.633 1.00 25.00 H new ATOM 0 HG12 VAL A 108 75.750 28.593 5.893 1.00 25.00 H new ATOM 0 HG13 VAL A 108 75.404 27.053 6.714 1.00 25.00 H new ATOM 0 HG21 VAL A 108 76.048 25.264 4.305 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.607 25.060 5.329 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.429 25.240 3.568 1.00 25.00 H new ATOM 456 N ARG A 109 73.170 29.529 6.111 1.00 25.00 N ATOM 457 CA ARG A 109 73.316 30.953 6.392 1.00 25.00 C ATOM 458 C ARG A 109 74.447 31.057 7.386 1.00 25.00 C ATOM 459 O ARG A 109 74.580 30.217 8.256 1.00 25.00 O ATOM 460 CB ARG A 109 72.047 31.535 7.015 1.00 25.00 C ATOM 461 CG ARG A 109 70.850 31.643 6.065 1.00 25.00 C ATOM 462 CD ARG A 109 70.309 33.082 5.997 1.00 25.00 C ATOM 463 NE ARG A 109 70.020 33.656 7.326 1.00 25.00 N ATOM 464 CZ ARG A 109 69.599 34.895 7.556 1.00 25.00 C ATOM 465 NH1 ARG A 109 69.372 35.748 6.586 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 69.415 35.283 8.784 1.00 25.00 N ATOM 0 H ARG A 109 72.901 28.968 6.919 1.00 25.00 H new ATOM 0 HA ARG A 109 73.506 31.507 5.473 1.00 25.00 H new ATOM 0 HB2 ARG A 109 71.762 30.917 7.866 1.00 25.00 H new ATOM 0 HB3 ARG A 109 72.274 32.528 7.404 1.00 25.00 H new ATOM 0 HG2 ARG A 109 71.146 31.317 5.068 1.00 25.00 H new ATOM 0 HG3 ARG A 109 70.059 30.971 6.398 1.00 25.00 H new ATOM 0 HD2 ARG A 109 71.036 33.713 5.486 1.00 25.00 H new ATOM 0 HD3 ARG A 109 69.399 33.094 5.397 1.00 25.00 H new ATOM 0 HE ARG A 109 70.155 33.051 8.136 1.00 25.00 H new ATOM 0 HH11 ARG A 109 69.518 35.468 5.616 1.00 25.00 H new ATOM 0 HH12 ARG A 109 69.049 36.691 6.801 1.00 25.00 H new ATOM 0 HH21 ARG A 109 69.594 34.639 9.555 1.00 25.00 H new ATOM 0 HH22 ARG A 109 69.092 36.231 8.976 1.00 25.00 H new ATOM 480 N ARG A 110 75.231 32.121 7.297 1.00 25.00 N ATOM 481 CA ARG A 110 76.313 32.358 8.266 1.00 25.00 C ATOM 482 C ARG A 110 75.739 32.745 9.628 1.00 25.00 C ATOM 483 O ARG A 110 76.462 32.900 10.595 1.00 25.00 O ATOM 484 CB ARG A 110 77.261 33.458 7.771 1.00 25.00 C ATOM 485 CG ARG A 110 76.662 34.868 7.816 1.00 25.00 C ATOM 486 CD ARG A 110 77.654 35.902 7.323 1.00 25.00 C ATOM 487 NE ARG A 110 77.148 37.267 7.552 1.00 25.00 N ATOM 488 CZ ARG A 110 77.770 38.386 7.203 1.00 25.00 C ATOM 489 NH1 ARG A 110 78.931 38.382 6.594 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 77.212 39.532 7.475 1.00 25.00 N ATOM 0 H ARG A 110 75.147 32.834 6.573 1.00 25.00 H new ATOM 0 HA ARG A 110 76.878 31.431 8.369 1.00 25.00 H new ATOM 0 HB2 ARG A 110 78.168 33.441 8.376 1.00 25.00 H new ATOM 0 HB3 ARG A 110 77.557 33.233 6.746 1.00 25.00 H new ATOM 0 HG2 ARG A 110 75.762 34.903 7.203 1.00 25.00 H new ATOM 0 HG3 ARG A 110 76.362 35.106 8.837 1.00 25.00 H new ATOM 0 HD2 ARG A 110 78.607 35.772 7.837 1.00 25.00 H new ATOM 0 HD3 ARG A 110 77.842 35.753 6.260 1.00 25.00 H new ATOM 0 HE ARG A 110 76.245 37.359 8.017 1.00 25.00 H new ATOM 0 HH11 ARG A 110 79.388 37.497 6.372 1.00 25.00 H new ATOM 0 HH12 ARG A 110 79.378 39.264 6.342 1.00 25.00 H new ATOM 0 HH21 ARG A 110 76.310 39.560 7.950 1.00 25.00 H new ATOM 0 HH22 ARG A 110 77.678 40.401 7.213 1.00 25.00 H new ATOM 504 N ASP A 111 74.437 32.979 9.638 1.00 25.00 N ATOM 505 CA ASP A 111 73.709 33.494 10.792 1.00 25.00 C ATOM 506 C ASP A 111 72.994 32.358 11.543 1.00 25.00 C ATOM 507 O ASP A 111 71.970 32.570 12.176 1.00 25.00 O ATOM 508 CB ASP A 111 72.702 34.521 10.268 1.00 25.00 C ATOM 509 CG ASP A 111 72.329 35.565 11.297 1.00 25.00 C ATOM 510 OD1 ASP A 111 73.225 36.007 12.046 1.00 25.00 O ATOM 511 OD2 ASP A 111 71.187 36.068 11.229 1.00 25.00 O1- ATOM 0 H ASP A 111 73.841 32.813 8.827 1.00 25.00 H new ATOM 0 HA ASP A 111 74.395 33.957 11.502 1.00 25.00 H new ATOM 0 HB2 ASP A 111 73.120 35.016 9.392 1.00 25.00 H new ATOM 0 HB3 ASP A 111 71.800 34.003 9.941 1.00 25.00 H new ATOM 516 N LEU A 112 73.531 31.147 11.397 1.00 25.00 N ATOM 517 CA LEU A 112 73.008 29.920 12.036 1.00 25.00 C ATOM 518 C LEU A 112 71.517 29.682 11.775 1.00 25.00 C ATOM 519 O LEU A 112 70.761 29.279 12.651 1.00 25.00 O ATOM 520 CB LEU A 112 73.298 29.920 13.546 1.00 25.00 C ATOM 521 CG LEU A 112 74.782 29.999 13.946 1.00 25.00 C ATOM 522 CD1 LEU A 112 74.893 30.092 15.466 1.00 25.00 C ATOM 523 CD2 LEU A 112 75.571 28.778 13.447 1.00 25.00 C ATOM 0 H LEU A 112 74.357 30.979 10.823 1.00 25.00 H new ATOM 0 HA LEU A 112 73.538 29.090 11.569 1.00 25.00 H new ATOM 0 HB2 LEU A 112 72.775 30.763 13.997 1.00 25.00 H new ATOM 0 HB3 LEU A 112 72.873 29.014 13.978 1.00 25.00 H new ATOM 0 HG LEU A 112 75.210 30.887 13.481 1.00 25.00 H new ATOM 0 HD11 LEU A 112 75.943 30.148 15.751 1.00 25.00 H new ATOM 0 HD12 LEU A 112 74.374 30.985 15.815 1.00 25.00 H new ATOM 0 HD13 LEU A 112 74.441 29.210 15.919 1.00 25.00 H new ATOM 0 HD21 LEU A 112 76.614 28.871 13.749 1.00 25.00 H new ATOM 0 HD22 LEU A 112 75.148 27.871 13.878 1.00 25.00 H new ATOM 0 HD23 LEU A 112 75.511 28.726 12.360 1.00 25.00 H new ATOM 535 N SER A 113 71.110 29.989 10.554 1.00 25.00 N ATOM 536 CA SER A 113 69.721 29.861 10.112 1.00 25.00 C ATOM 537 C SER A 113 69.540 28.737 9.094 1.00 25.00 C ATOM 538 O SER A 113 68.684 28.818 8.217 1.00 25.00 O ATOM 539 CB SER A 113 69.248 31.175 9.520 1.00 25.00 C ATOM 540 OG SER A 113 70.123 32.233 9.891 1.00 25.00 O ATOM 0 H SER A 113 71.738 30.338 9.830 1.00 25.00 H new ATOM 0 HA SER A 113 69.120 29.609 10.986 1.00 25.00 H new ATOM 0 HB2 SER A 113 69.204 31.096 8.434 1.00 25.00 H new ATOM 0 HB3 SER A 113 68.237 31.393 9.865 1.00 25.00 H new ATOM 0 HG SER A 113 69.667 32.829 10.522 1.00 25.00 H new ATOM 546 N GLU A 114 70.444 27.775 9.109 1.00 25.00 N ATOM 547 CA GLU A 114 70.487 26.751 8.065 1.00 25.00 C ATOM 548 C GLU A 114 69.336 25.744 8.161 1.00 25.00 C ATOM 549 O GLU A 114 68.766 25.512 9.224 1.00 25.00 O ATOM 550 CB GLU A 114 71.828 25.985 8.107 1.00 25.00 C ATOM 551 CG GLU A 114 72.142 25.219 9.414 1.00 25.00 C ATOM 552 CD GLU A 114 72.760 26.099 10.496 1.00 25.00 C ATOM 553 OE1 GLU A 114 73.021 27.294 10.221 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.031 25.590 11.600 1.00 25.00 O1- ATOM 0 H GLU A 114 71.160 27.676 9.829 1.00 25.00 H new ATOM 0 HA GLU A 114 70.384 27.284 7.120 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.841 25.273 7.282 1.00 25.00 H new ATOM 0 HB3 GLU A 114 72.634 26.696 7.926 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.223 24.776 9.797 1.00 25.00 H new ATOM 0 HG3 GLU A 114 72.823 24.398 9.191 1.00 25.00 H new ATOM 561 N VAL A 115 68.993 25.176 7.013 1.00 25.00 N ATOM 562 CA VAL A 115 67.887 24.226 6.892 1.00 25.00 C ATOM 563 C VAL A 115 68.283 23.232 5.810 1.00 25.00 C ATOM 564 O VAL A 115 69.054 23.564 4.908 1.00 25.00 O ATOM 565 CB VAL A 115 66.538 24.968 6.521 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.621 25.653 5.141 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.332 24.012 6.565 1.00 25.00 C ATOM 0 H VAL A 115 69.474 25.360 6.133 1.00 25.00 H new ATOM 0 HA VAL A 115 67.707 23.716 7.838 1.00 25.00 H new ATOM 0 HB VAL A 115 66.392 25.740 7.276 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.676 26.150 4.924 1.00 25.00 H new ATOM 0 HG12 VAL A 115 67.425 26.389 5.148 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.821 24.904 4.375 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.425 24.558 6.305 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.484 23.201 5.853 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.231 23.599 7.569 1.00 25.00 H new ATOM 577 N THR A 116 67.773 22.015 5.882 1.00 25.00 N ATOM 578 CA THR A 116 68.036 21.024 4.853 1.00 25.00 C ATOM 579 C THR A 116 66.741 20.276 4.593 1.00 25.00 C ATOM 580 O THR A 116 65.894 20.160 5.480 1.00 25.00 O ATOM 581 CB THR A 116 69.204 20.072 5.247 1.00 25.00 C ATOM 582 OG1 THR A 116 69.522 19.209 4.151 1.00 25.00 O ATOM 583 CG2 THR A 116 68.870 19.213 6.459 1.00 25.00 C ATOM 0 H THR A 116 67.175 21.689 6.641 1.00 25.00 H new ATOM 0 HA THR A 116 68.366 21.513 3.937 1.00 25.00 H new ATOM 0 HB THR A 116 70.054 20.705 5.501 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.365 19.681 3.307 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.717 18.568 6.692 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.658 19.856 7.313 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.996 18.600 6.240 1.00 25.00 H new ATOM 591 N PHE A 117 66.564 19.846 3.356 1.00 25.00 N ATOM 592 CA PHE A 117 65.346 19.178 2.914 1.00 25.00 C ATOM 593 C PHE A 117 65.735 18.376 1.684 1.00 25.00 C ATOM 594 O PHE A 117 66.883 18.445 1.254 1.00 25.00 O ATOM 595 CB PHE A 117 64.250 20.208 2.583 1.00 25.00 C ATOM 596 CG PHE A 117 64.697 21.297 1.645 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.596 21.129 0.249 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.198 22.514 2.156 1.00 25.00 C ATOM 599 CE1 PHE A 117 64.994 22.161 -0.633 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.601 23.548 1.283 1.00 25.00 C ATOM 601 CZ PHE A 117 65.494 23.374 -0.117 1.00 25.00 C ATOM 0 H PHE A 117 67.265 19.950 2.622 1.00 25.00 H new ATOM 0 HA PHE A 117 64.937 18.533 3.691 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.399 19.689 2.142 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.900 20.662 3.510 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.211 20.203 -0.151 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.274 22.655 3.224 1.00 25.00 H new ATOM 0 HE1 PHE A 117 64.915 22.020 -1.701 1.00 25.00 H new ATOM 0 HE2 PHE A 117 65.991 24.472 1.684 1.00 25.00 H new ATOM 0 HZ PHE A 117 65.794 24.166 -0.787 1.00 25.00 H new ATOM 611 N SER A 118 64.807 17.630 1.110 1.00 25.00 N ATOM 612 CA SER A 118 65.094 16.844 -0.087 1.00 25.00 C ATOM 613 C SER A 118 64.039 17.129 -1.139 1.00 25.00 C ATOM 614 O SER A 118 62.909 17.467 -0.806 1.00 25.00 O ATOM 615 CB SER A 118 65.118 15.353 0.245 1.00 25.00 C ATOM 616 OG SER A 118 66.103 15.067 1.226 1.00 25.00 O ATOM 0 H SER A 118 63.849 17.549 1.449 1.00 25.00 H new ATOM 0 HA SER A 118 66.075 17.124 -0.471 1.00 25.00 H new ATOM 0 HB2 SER A 118 64.138 15.041 0.607 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.322 14.779 -0.659 1.00 25.00 H new ATOM 0 HG SER A 118 66.099 14.107 1.424 1.00 25.00 H new ATOM 622 N LEU A 119 64.422 17.008 -2.402 1.00 25.00 N ATOM 623 CA LEU A 119 63.534 17.298 -3.528 1.00 25.00 C ATOM 624 C LEU A 119 63.455 16.096 -4.449 1.00 25.00 C ATOM 625 O LEU A 119 64.439 15.374 -4.630 1.00 25.00 O ATOM 626 CB LEU A 119 64.065 18.494 -4.325 1.00 25.00 C ATOM 627 CG LEU A 119 64.129 19.845 -3.604 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.759 20.858 -4.542 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.750 20.324 -3.182 1.00 25.00 C ATOM 0 H LEU A 119 65.356 16.706 -2.679 1.00 25.00 H new ATOM 0 HA LEU A 119 62.544 17.529 -3.135 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.069 18.249 -4.673 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.441 18.613 -5.211 1.00 25.00 H new ATOM 0 HG LEU A 119 64.725 19.732 -2.699 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.814 21.828 -4.047 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.763 20.530 -4.810 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.153 20.945 -5.444 1.00 25.00 H new ATOM 0 HD21 LEU A 119 62.838 21.285 -2.674 1.00 25.00 H new ATOM 0 HD22 LEU A 119 62.118 20.436 -4.063 1.00 25.00 H new ATOM 0 HD23 LEU A 119 62.303 19.596 -2.505 1.00 25.00 H new ATOM 641 N GLN A 120 62.289 15.906 -5.048 1.00 25.00 N ATOM 642 CA GLN A 120 62.062 14.812 -5.992 1.00 25.00 C ATOM 643 C GLN A 120 62.134 15.410 -7.387 1.00 25.00 C ATOM 644 O GLN A 120 61.463 16.395 -7.676 1.00 25.00 O ATOM 645 CB GLN A 120 60.694 14.165 -5.756 1.00 25.00 C ATOM 646 CG GLN A 120 60.454 12.930 -6.616 1.00 25.00 C ATOM 647 CD GLN A 120 59.093 12.315 -6.376 1.00 25.00 C ATOM 648 OE1 GLN A 120 58.074 12.888 -6.704 1.00 25.00 O ATOM 649 NE2 GLN A 120 59.075 11.136 -5.812 1.00 25.00 N ATOM 0 H GLN A 120 61.474 16.501 -4.897 1.00 25.00 H new ATOM 0 HA GLN A 120 62.812 14.031 -5.863 1.00 25.00 H new ATOM 0 HB2 GLN A 120 60.607 13.890 -4.705 1.00 25.00 H new ATOM 0 HB3 GLN A 120 59.913 14.898 -5.959 1.00 25.00 H new ATOM 0 HG2 GLN A 120 60.547 13.200 -7.668 1.00 25.00 H new ATOM 0 HG3 GLN A 120 61.226 12.190 -6.407 1.00 25.00 H new ATOM 0 HE21 GLN A 120 59.950 10.683 -5.549 1.00 25.00 H new ATOM 0 HE22 GLN A 120 58.186 10.669 -5.635 1.00 25.00 H new ATOM 658 N VAL A 121 63.010 14.861 -8.212 1.00 25.00 N ATOM 659 CA VAL A 121 63.316 15.437 -9.520 1.00 25.00 C ATOM 660 C VAL A 121 63.574 14.345 -10.551 1.00 25.00 C ATOM 661 O VAL A 121 63.808 13.186 -10.199 1.00 25.00 O ATOM 662 CB VAL A 121 64.600 16.323 -9.421 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.342 17.571 -8.585 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.764 15.526 -8.793 1.00 25.00 C ATOM 0 H VAL A 121 63.529 14.009 -8.000 1.00 25.00 H new ATOM 0 HA VAL A 121 62.458 16.034 -9.829 1.00 25.00 H new ATOM 0 HB VAL A 121 64.869 16.623 -10.434 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.252 18.169 -8.533 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.548 18.159 -9.045 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.042 17.279 -7.579 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.648 16.160 -8.733 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.483 15.199 -7.792 1.00 25.00 H new ATOM 0 HG23 VAL A 121 65.983 14.655 -9.410 1.00 25.00 H new ATOM 674 N ASP A 122 63.572 14.719 -11.819 1.00 25.00 N ATOM 675 CA ASP A 122 63.938 13.798 -12.893 1.00 25.00 C ATOM 676 C ASP A 122 65.459 13.827 -13.062 1.00 25.00 C ATOM 677 O ASP A 122 66.118 14.757 -12.607 1.00 25.00 O ATOM 678 CB ASP A 122 63.271 14.206 -14.208 1.00 25.00 C ATOM 679 CG ASP A 122 63.285 13.083 -15.230 1.00 25.00 C ATOM 680 OD1 ASP A 122 62.365 12.244 -15.198 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 64.284 12.962 -15.971 1.00 25.00 O1- ATOM 0 H ASP A 122 63.321 15.656 -12.135 1.00 25.00 H new ATOM 0 HA ASP A 122 63.601 12.794 -12.635 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.241 14.505 -14.014 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.784 15.076 -14.619 1.00 25.00 H new ATOM 686 N ALA A 123 66.018 12.847 -13.752 1.00 25.00 N ATOM 687 CA ALA A 123 67.447 12.834 -14.043 1.00 25.00 C ATOM 688 C ALA A 123 67.797 13.978 -15.006 1.00 25.00 C ATOM 689 O ALA A 123 68.871 14.584 -14.911 1.00 25.00 O ATOM 690 CB ALA A 123 67.839 11.485 -14.651 1.00 25.00 C ATOM 0 H ALA A 123 65.505 12.047 -14.123 1.00 25.00 H new ATOM 0 HA ALA A 123 68.004 12.977 -13.117 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.907 11.480 -14.867 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.607 10.687 -13.946 1.00 25.00 H new ATOM 0 HB3 ALA A 123 67.282 11.326 -15.574 1.00 25.00 H new ATOM 696 N ASP A 124 66.890 14.258 -15.933 1.00 25.00 N ATOM 697 CA ASP A 124 67.118 15.275 -16.963 1.00 25.00 C ATOM 698 C ASP A 124 66.548 16.640 -16.561 1.00 25.00 C ATOM 699 O ASP A 124 66.425 17.545 -17.373 1.00 25.00 O ATOM 700 CB ASP A 124 66.504 14.820 -18.291 1.00 25.00 C ATOM 701 CG ASP A 124 67.211 15.423 -19.502 1.00 25.00 C ATOM 702 OD1 ASP A 124 68.411 15.779 -19.386 1.00 25.00 O ATOM 703 OD2 ASP A 124 66.603 15.450 -20.591 1.00 25.00 O1- ATOM 0 H ASP A 124 65.983 13.795 -15.996 1.00 25.00 H new ATOM 0 HA ASP A 124 68.196 15.392 -17.077 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.548 13.733 -18.354 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.450 15.098 -18.314 1.00 25.00 H new ATOM 708 N PHE A 125 66.202 16.781 -15.288 1.00 25.00 N ATOM 709 CA PHE A 125 65.668 18.039 -14.769 1.00 25.00 C ATOM 710 C PHE A 125 66.752 19.112 -14.898 1.00 25.00 C ATOM 711 O PHE A 125 67.903 18.899 -14.504 1.00 25.00 O ATOM 712 CB PHE A 125 65.277 17.844 -13.304 1.00 25.00 C ATOM 713 CG PHE A 125 64.212 18.781 -12.804 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.904 18.721 -13.319 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.493 19.689 -11.763 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.883 19.561 -12.801 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.478 20.520 -11.234 1.00 25.00 C ATOM 718 CZ PHE A 125 62.176 20.458 -11.751 1.00 25.00 C ATOM 0 H PHE A 125 66.281 16.039 -14.592 1.00 25.00 H new ATOM 0 HA PHE A 125 64.786 18.349 -15.329 1.00 25.00 H new ATOM 0 HB2 PHE A 125 64.932 16.819 -13.168 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.167 17.965 -12.686 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.674 18.029 -14.116 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.495 19.751 -11.365 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.884 19.514 -13.209 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.706 21.204 -10.430 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.401 21.093 -11.348 1.00 25.00 H new ATOM 728 N GLU A 126 66.393 20.248 -15.478 1.00 25.00 N ATOM 729 CA GLU A 126 67.345 21.336 -15.707 1.00 25.00 C ATOM 730 C GLU A 126 67.795 21.937 -14.393 1.00 25.00 C ATOM 731 O GLU A 126 67.005 22.060 -13.458 1.00 25.00 O ATOM 732 CB GLU A 126 66.691 22.470 -16.491 1.00 25.00 C ATOM 733 CG GLU A 126 66.292 22.141 -17.905 1.00 25.00 C ATOM 734 CD GLU A 126 65.592 23.325 -18.542 1.00 25.00 C ATOM 735 OE1 GLU A 126 64.537 23.731 -17.999 1.00 25.00 O ATOM 736 OE2 GLU A 126 66.124 23.907 -19.509 1.00 25.00 O1- ATOM 0 H GLU A 126 65.446 20.445 -15.802 1.00 25.00 H new ATOM 0 HA GLU A 126 68.185 20.910 -16.256 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.803 22.797 -15.949 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.379 23.315 -16.514 1.00 25.00 H new ATOM 0 HG2 GLU A 126 67.175 21.875 -18.487 1.00 25.00 H new ATOM 0 HG3 GLU A 126 65.633 21.273 -17.912 1.00 25.00 H new ATOM 743 N LEU A 127 69.028 22.415 -14.341 1.00 25.00 N ATOM 744 CA LEU A 127 69.509 23.100 -13.149 1.00 25.00 C ATOM 745 C LEU A 127 68.742 24.390 -12.928 1.00 25.00 C ATOM 746 O LEU A 127 68.524 24.789 -11.793 1.00 25.00 O ATOM 747 CB LEU A 127 71.005 23.409 -13.246 1.00 25.00 C ATOM 748 CG LEU A 127 71.919 22.581 -12.335 1.00 25.00 C ATOM 749 CD1 LEU A 127 71.625 22.871 -10.867 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.778 21.089 -12.608 1.00 25.00 C ATOM 0 H LEU A 127 69.707 22.344 -15.099 1.00 25.00 H new ATOM 0 HA LEU A 127 69.346 22.432 -12.304 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.321 23.260 -14.278 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.154 24.464 -13.016 1.00 25.00 H new ATOM 0 HG LEU A 127 72.946 22.871 -12.556 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.285 22.273 -10.239 1.00 25.00 H new ATOM 0 HD12 LEU A 127 71.792 23.929 -10.665 1.00 25.00 H new ATOM 0 HD13 LEU A 127 70.588 22.619 -10.647 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.440 20.533 -11.944 1.00 25.00 H new ATOM 0 HD22 LEU A 127 70.747 20.783 -12.431 1.00 25.00 H new ATOM 0 HD23 LEU A 127 72.046 20.882 -13.644 1.00 25.00 H new ATOM 762 N HIS A 128 68.298 25.028 -14.002 1.00 25.00 N ATOM 763 CA HIS A 128 67.505 26.247 -13.878 1.00 25.00 C ATOM 764 C HIS A 128 66.242 25.953 -13.076 1.00 25.00 C ATOM 765 O HIS A 128 65.918 26.654 -12.118 1.00 25.00 O ATOM 766 CB HIS A 128 67.121 26.782 -15.263 1.00 25.00 C ATOM 767 CG HIS A 128 66.601 28.186 -15.239 1.00 25.00 C ATOM 768 ND1 HIS A 128 65.374 28.552 -14.744 1.00 25.00 N ATOM 769 CD2 HIS A 128 67.168 29.347 -15.666 1.00 25.00 C ATOM 770 CE1 HIS A 128 65.250 29.869 -14.873 1.00 25.00 C ATOM 771 NE2 HIS A 128 66.318 30.407 -15.427 1.00 25.00 N ATOM 0 H HIS A 128 68.470 24.727 -14.961 1.00 25.00 H new ATOM 0 HA HIS A 128 68.100 27.002 -13.364 1.00 25.00 H new ATOM 0 HB2 HIS A 128 67.993 26.737 -15.915 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.364 26.130 -15.698 1.00 25.00 H new ATOM 0 HD2 HIS A 128 68.142 29.427 -16.125 1.00 25.00 H new ATOM 0 HE1 HIS A 128 64.381 30.429 -14.562 1.00 25.00 H new ATOM 0 HE2 HIS A 128 66.481 31.392 -15.634 1.00 25.00 H new ATOM 779 N ASN A 129 65.555 24.883 -13.444 1.00 25.00 N ATOM 780 CA ASN A 129 64.330 24.493 -12.755 1.00 25.00 C ATOM 781 C ASN A 129 64.626 23.922 -11.371 1.00 25.00 C ATOM 782 O ASN A 129 63.852 24.104 -10.455 1.00 25.00 O ATOM 783 CB ASN A 129 63.551 23.485 -13.602 1.00 25.00 C ATOM 784 CG ASN A 129 62.520 24.158 -14.475 1.00 25.00 C ATOM 785 OD1 ASN A 129 61.627 24.819 -13.978 1.00 25.00 O ATOM 786 ND2 ASN A 129 62.649 24.022 -15.765 1.00 25.00 N ATOM 0 H ASN A 129 65.822 24.269 -14.214 1.00 25.00 H new ATOM 0 HA ASN A 129 63.719 25.385 -12.616 1.00 25.00 H new ATOM 0 HB2 ASN A 129 64.245 22.924 -14.228 1.00 25.00 H new ATOM 0 HB3 ASN A 129 63.058 22.766 -12.948 1.00 25.00 H new ATOM 0 HD21 ASN A 129 61.988 24.478 -16.394 1.00 25.00 H new ATOM 0 HD22 ASN A 129 63.411 23.460 -16.145 1.00 25.00 H new ATOM 793 N PHE A 130 65.765 23.269 -11.202 1.00 25.00 N ATOM 794 CA PHE A 130 66.156 22.743 -9.893 1.00 25.00 C ATOM 795 C PHE A 130 66.377 23.857 -8.868 1.00 25.00 C ATOM 796 O PHE A 130 65.936 23.762 -7.730 1.00 25.00 O ATOM 797 CB PHE A 130 67.434 21.922 -10.028 1.00 25.00 C ATOM 798 CG PHE A 130 67.859 21.258 -8.752 1.00 25.00 C ATOM 799 CD1 PHE A 130 67.034 20.300 -8.143 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.092 21.578 -8.153 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.433 19.649 -6.949 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.507 20.935 -6.965 1.00 25.00 C ATOM 803 CZ PHE A 130 68.678 19.966 -6.362 1.00 25.00 C ATOM 0 H PHE A 130 66.436 23.088 -11.948 1.00 25.00 H new ATOM 0 HA PHE A 130 65.339 22.116 -9.536 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.287 21.160 -10.793 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.238 22.571 -10.375 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.082 20.055 -8.590 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.728 22.324 -8.607 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.788 18.914 -6.490 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.458 21.185 -6.519 1.00 25.00 H new ATOM 0 HZ PHE A 130 68.994 19.469 -5.456 1.00 25.00 H new ATOM 813 N ARG A 131 67.049 24.924 -9.275 1.00 25.00 N ATOM 814 CA ARG A 131 67.308 26.066 -8.385 1.00 25.00 C ATOM 815 C ARG A 131 66.015 26.774 -8.077 1.00 25.00 C ATOM 816 O ARG A 131 65.793 27.228 -6.969 1.00 25.00 O ATOM 817 CB ARG A 131 68.277 27.032 -9.055 1.00 25.00 C ATOM 818 CG ARG A 131 69.609 26.385 -9.254 1.00 25.00 C ATOM 819 CD ARG A 131 70.514 27.132 -10.226 1.00 25.00 C ATOM 820 NE ARG A 131 70.823 28.500 -9.773 1.00 25.00 N ATOM 821 CZ ARG A 131 71.792 29.265 -10.260 1.00 25.00 C ATOM 822 NH1 ARG A 131 72.624 28.844 -11.187 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 71.932 30.479 -9.801 1.00 25.00 N ATOM 0 H ARG A 131 67.429 25.031 -10.216 1.00 25.00 H new ATOM 0 HA ARG A 131 67.749 25.704 -7.456 1.00 25.00 H new ATOM 0 HB2 ARG A 131 67.874 27.352 -10.016 1.00 25.00 H new ATOM 0 HB3 ARG A 131 68.389 27.927 -8.443 1.00 25.00 H new ATOM 0 HG2 ARG A 131 70.112 26.306 -8.290 1.00 25.00 H new ATOM 0 HG3 ARG A 131 69.459 25.369 -9.619 1.00 25.00 H new ATOM 0 HD2 ARG A 131 71.443 26.576 -10.352 1.00 25.00 H new ATOM 0 HD3 ARG A 131 70.034 27.176 -11.203 1.00 25.00 H new ATOM 0 HE ARG A 131 70.247 28.889 -9.027 1.00 25.00 H new ATOM 0 HH11 ARG A 131 72.538 27.898 -11.558 1.00 25.00 H new ATOM 0 HH12 ARG A 131 73.356 29.464 -11.535 1.00 25.00 H new ATOM 0 HH21 ARG A 131 71.302 30.827 -9.079 1.00 25.00 H new ATOM 0 HH22 ARG A 131 72.672 31.080 -10.165 1.00 25.00 H new ATOM 837 N ALA A 132 65.155 26.819 -9.072 1.00 25.00 N ATOM 838 CA ALA A 132 63.820 27.401 -8.897 1.00 25.00 C ATOM 839 C ALA A 132 62.990 26.565 -7.897 1.00 25.00 C ATOM 840 O ALA A 132 62.322 27.108 -7.026 1.00 25.00 O ATOM 841 CB ALA A 132 63.098 27.499 -10.251 1.00 25.00 C ATOM 0 H ALA A 132 65.344 26.465 -10.009 1.00 25.00 H new ATOM 0 HA ALA A 132 63.931 28.407 -8.491 1.00 25.00 H new ATOM 0 HB1 ALA A 132 62.109 27.933 -10.105 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.675 28.131 -10.926 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.998 26.503 -10.683 1.00 25.00 H new ATOM 847 N LEU A 133 63.066 25.247 -8.014 1.00 25.00 N ATOM 848 CA LEU A 133 62.360 24.338 -7.109 1.00 25.00 C ATOM 849 C LEU A 133 62.917 24.486 -5.689 1.00 25.00 C ATOM 850 O LEU A 133 62.184 24.489 -4.712 1.00 25.00 O ATOM 851 CB LEU A 133 62.532 22.893 -7.611 1.00 25.00 C ATOM 852 CG LEU A 133 61.661 21.801 -6.972 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.186 22.017 -7.281 1.00 25.00 C ATOM 854 CD2 LEU A 133 62.092 20.432 -7.513 1.00 25.00 C ATOM 0 H LEU A 133 63.614 24.775 -8.733 1.00 25.00 H new ATOM 0 HA LEU A 133 61.298 24.583 -7.089 1.00 25.00 H new ATOM 0 HB2 LEU A 133 62.342 22.887 -8.684 1.00 25.00 H new ATOM 0 HB3 LEU A 133 63.576 22.612 -7.471 1.00 25.00 H new ATOM 0 HG LEU A 133 61.795 21.845 -5.891 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.597 21.227 -6.814 1.00 25.00 H new ATOM 0 HD12 LEU A 133 59.870 22.984 -6.890 1.00 25.00 H new ATOM 0 HD13 LEU A 133 60.033 21.994 -8.360 1.00 25.00 H new ATOM 0 HD21 LEU A 133 61.477 19.653 -7.063 1.00 25.00 H new ATOM 0 HD22 LEU A 133 61.967 20.413 -8.596 1.00 25.00 H new ATOM 0 HD23 LEU A 133 63.139 20.256 -7.266 1.00 25.00 H new ATOM 866 N CYS A 134 64.225 24.672 -5.598 1.00 25.00 N ATOM 867 CA CYS A 134 64.882 24.913 -4.319 1.00 25.00 C ATOM 868 C CYS A 134 64.381 26.208 -3.684 1.00 25.00 C ATOM 869 O CYS A 134 64.141 26.253 -2.487 1.00 25.00 O ATOM 870 CB CYS A 134 66.395 25.005 -4.524 1.00 25.00 C ATOM 871 SG CYS A 134 67.308 25.335 -3.007 1.00 25.00 S ATOM 0 H CYS A 134 64.857 24.661 -6.399 1.00 25.00 H new ATOM 0 HA CYS A 134 64.647 24.082 -3.653 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.752 24.071 -4.957 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.608 25.793 -5.246 1.00 25.00 H new ATOM 0 HG CYS A 134 68.581 25.186 -3.225 1.00 25.00 H new ATOM 877 N GLU A 135 64.235 27.259 -4.478 1.00 25.00 N ATOM 878 CA GLU A 135 63.752 28.548 -3.976 1.00 25.00 C ATOM 879 C GLU A 135 62.336 28.395 -3.421 1.00 25.00 C ATOM 880 O GLU A 135 62.021 28.912 -2.346 1.00 25.00 O ATOM 881 CB GLU A 135 63.778 29.583 -5.111 1.00 25.00 C ATOM 882 CG GLU A 135 63.353 30.990 -4.706 1.00 25.00 C ATOM 883 CD GLU A 135 63.660 32.024 -5.786 1.00 25.00 C ATOM 884 OE1 GLU A 135 63.659 31.674 -6.984 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 64.000 33.178 -5.422 1.00 25.00 O1- ATOM 0 H GLU A 135 64.443 27.249 -5.476 1.00 25.00 H new ATOM 0 HA GLU A 135 64.402 28.891 -3.171 1.00 25.00 H new ATOM 0 HB2 GLU A 135 64.788 29.628 -5.520 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.125 29.238 -5.913 1.00 25.00 H new ATOM 0 HG2 GLU A 135 62.284 30.997 -4.494 1.00 25.00 H new ATOM 0 HG3 GLU A 135 63.863 31.269 -3.784 1.00 25.00 H new ATOM 892 N LEU A 136 61.506 27.646 -4.133 1.00 25.00 N ATOM 893 CA LEU A 136 60.125 27.410 -3.718 1.00 25.00 C ATOM 894 C LEU A 136 60.047 26.697 -2.369 1.00 25.00 C ATOM 895 O LEU A 136 59.293 27.106 -1.491 1.00 25.00 O ATOM 896 CB LEU A 136 59.409 26.566 -4.784 1.00 25.00 C ATOM 897 CG LEU A 136 57.919 26.265 -4.548 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.067 27.537 -4.634 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.444 25.251 -5.587 1.00 25.00 C ATOM 0 H LEU A 136 61.765 27.187 -5.007 1.00 25.00 H new ATOM 0 HA LEU A 136 59.639 28.380 -3.610 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.504 27.077 -5.742 1.00 25.00 H new ATOM 0 HB3 LEU A 136 59.937 25.617 -4.876 1.00 25.00 H new ATOM 0 HG LEU A 136 57.804 25.857 -3.544 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.020 27.286 -4.462 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.398 28.249 -3.878 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.176 27.982 -5.623 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.388 25.033 -5.426 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.581 25.663 -6.587 1.00 25.00 H new ATOM 0 HD23 LEU A 136 58.023 24.333 -5.491 1.00 25.00 H new ATOM 911 N GLU A 137 60.813 25.629 -2.214 1.00 25.00 N ATOM 912 CA GLU A 137 60.766 24.831 -0.988 1.00 25.00 C ATOM 913 C GLU A 137 61.478 25.489 0.197 1.00 25.00 C ATOM 914 O GLU A 137 61.117 25.262 1.349 1.00 25.00 O ATOM 915 CB GLU A 137 61.396 23.461 -1.241 1.00 25.00 C ATOM 916 CG GLU A 137 60.450 22.299 -0.955 1.00 25.00 C ATOM 917 CD GLU A 137 59.350 22.159 -2.006 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.673 21.923 -3.194 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 58.160 22.244 -1.633 1.00 25.00 O1- ATOM 0 H GLU A 137 61.473 25.292 -2.915 1.00 25.00 H new ATOM 0 HA GLU A 137 59.713 24.739 -0.723 1.00 25.00 H new ATOM 0 HB2 GLU A 137 61.724 23.406 -2.279 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.285 23.358 -0.619 1.00 25.00 H new ATOM 0 HG2 GLU A 137 61.023 21.373 -0.910 1.00 25.00 H new ATOM 0 HG3 GLU A 137 59.994 22.440 0.025 1.00 25.00 H new ATOM 926 N SER A 138 62.513 26.274 -0.074 1.00 25.00 N ATOM 927 CA SER A 138 63.297 26.894 1.002 1.00 25.00 C ATOM 928 C SER A 138 62.728 28.233 1.461 1.00 25.00 C ATOM 929 O SER A 138 62.954 28.649 2.599 1.00 25.00 O ATOM 930 CB SER A 138 64.742 27.097 0.558 1.00 25.00 C ATOM 931 OG SER A 138 64.815 27.990 -0.538 1.00 25.00 O ATOM 0 H SER A 138 62.832 26.499 -1.017 1.00 25.00 H new ATOM 0 HA SER A 138 63.250 26.206 1.846 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.330 27.486 1.389 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.179 26.138 0.280 1.00 25.00 H new ATOM 0 HG SER A 138 64.735 27.487 -1.375 1.00 25.00 H new ATOM 937 N GLY A 139 62.012 28.921 0.581 1.00 25.00 N ATOM 938 CA GLY A 139 61.404 30.193 0.945 1.00 25.00 C ATOM 939 C GLY A 139 62.375 31.357 1.045 1.00 25.00 C ATOM 940 O GLY A 139 62.000 32.429 1.524 1.00 25.00 O ATOM 0 H GLY A 139 61.839 28.624 -0.379 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.639 30.438 0.208 1.00 25.00 H new ATOM 0 HA3 GLY A 139 60.898 30.077 1.903 1.00 25.00 H new ATOM 944 N ILE A 140 63.609 31.173 0.592 1.00 25.00 N ATOM 945 CA ILE A 140 64.612 32.247 0.622 1.00 25.00 C ATOM 946 C ILE A 140 64.992 32.622 -0.812 1.00 25.00 C ATOM 947 O ILE A 140 65.066 31.757 -1.682 1.00 25.00 O ATOM 948 CB ILE A 140 65.887 31.855 1.440 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.450 30.495 0.982 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.555 31.821 2.949 1.00 25.00 C ATOM 951 CD1 ILE A 140 67.830 30.155 1.549 1.00 25.00 C ATOM 0 H ILE A 140 63.945 30.294 0.199 1.00 25.00 H new ATOM 0 HA ILE A 140 64.169 33.104 1.128 1.00 25.00 H new ATOM 0 HB ILE A 140 66.653 32.609 1.259 1.00 25.00 H new ATOM 0 HG12 ILE A 140 65.750 29.711 1.270 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.507 30.488 -0.106 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.447 31.547 3.512 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.212 32.805 3.268 1.00 25.00 H new ATOM 0 HG23 ILE A 140 64.771 31.086 3.133 1.00 25.00 H new ATOM 0 HD11 ILE A 140 68.148 29.182 1.174 1.00 25.00 H new ATOM 0 HD12 ILE A 140 68.548 30.915 1.240 1.00 25.00 H new ATOM 0 HD13 ILE A 140 67.779 30.126 2.637 1.00 25.00 H new ATOM 963 N PRO A 141 65.190 33.928 -1.090 1.00 25.00 N ATOM 964 CA PRO A 141 65.451 34.301 -2.487 1.00 25.00 C ATOM 965 C PRO A 141 66.710 33.693 -3.100 1.00 25.00 C ATOM 966 O PRO A 141 67.824 33.859 -2.584 1.00 25.00 O ATOM 967 CB PRO A 141 65.590 35.829 -2.415 1.00 25.00 C ATOM 968 CG PRO A 141 64.847 36.218 -1.201 1.00 25.00 C ATOM 969 CD PRO A 141 65.138 35.123 -0.226 1.00 25.00 C ATOM 0 HA PRO A 141 64.654 33.931 -3.131 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.636 36.129 -2.352 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.175 36.306 -3.303 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.179 37.185 -0.824 1.00 25.00 H new ATOM 0 HG3 PRO A 141 63.778 36.302 -1.398 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.080 35.286 0.297 1.00 25.00 H new ATOM 0 HD3 PRO A 141 64.361 35.040 0.534 1.00 25.00 H new ATOM 977 N ALA A 142 66.543 33.062 -4.253 1.00 25.00 N ATOM 978 CA ALA A 142 67.663 32.529 -5.022 1.00 25.00 C ATOM 979 C ALA A 142 68.527 33.688 -5.523 1.00 25.00 C ATOM 980 O ALA A 142 69.714 33.526 -5.778 1.00 25.00 O ATOM 981 CB ALA A 142 67.149 31.697 -6.197 1.00 25.00 C ATOM 0 H ALA A 142 65.631 32.904 -4.683 1.00 25.00 H new ATOM 0 HA ALA A 142 68.266 31.882 -4.385 1.00 25.00 H new ATOM 0 HB1 ALA A 142 67.994 31.305 -6.763 1.00 25.00 H new ATOM 0 HB2 ALA A 142 66.549 30.869 -5.821 1.00 25.00 H new ATOM 0 HB3 ALA A 142 66.537 32.323 -6.846 1.00 25.00 H new ATOM 987 N ALA A 143 67.915 34.859 -5.647 1.00 25.00 N ATOM 988 CA ALA A 143 68.611 36.066 -6.089 1.00 25.00 C ATOM 989 C ALA A 143 69.724 36.470 -5.108 1.00 25.00 C ATOM 990 O ALA A 143 70.706 37.094 -5.495 1.00 25.00 O ATOM 991 CB ALA A 143 67.597 37.211 -6.239 1.00 25.00 C ATOM 0 H ALA A 143 66.925 35.001 -5.445 1.00 25.00 H new ATOM 0 HA ALA A 143 69.081 35.858 -7.050 1.00 25.00 H new ATOM 0 HB1 ALA A 143 68.113 38.113 -6.569 1.00 25.00 H new ATOM 0 HB2 ALA A 143 66.843 36.935 -6.976 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.115 37.399 -5.279 1.00 25.00 H new ATOM 997 N GLU A 144 69.563 36.101 -3.845 1.00 25.00 N ATOM 998 CA GLU A 144 70.544 36.418 -2.802 1.00 25.00 C ATOM 999 C GLU A 144 71.414 35.202 -2.499 1.00 25.00 C ATOM 1000 O GLU A 144 72.104 35.161 -1.478 1.00 25.00 O ATOM 1001 CB GLU A 144 69.823 36.823 -1.514 1.00 25.00 C ATOM 1002 CG GLU A 144 68.980 38.078 -1.636 1.00 25.00 C ATOM 1003 CD GLU A 144 68.421 38.508 -0.287 1.00 25.00 C ATOM 1004 OE1 GLU A 144 68.329 37.650 0.623 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 68.100 39.702 -0.123 1.00 25.00 O1- ATOM 0 H GLU A 144 68.755 35.576 -3.510 1.00 25.00 H new ATOM 0 HA GLU A 144 71.167 37.237 -3.162 1.00 25.00 H new ATOM 0 HB2 GLU A 144 69.183 36.000 -1.196 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.564 36.973 -0.729 1.00 25.00 H new ATOM 0 HG2 GLU A 144 69.583 38.884 -2.054 1.00 25.00 H new ATOM 0 HG3 GLU A 144 68.159 37.900 -2.331 1.00 25.00 H new ATOM 1012 N SER A 145 71.337 34.188 -3.350 1.00 25.00 N ATOM 1013 CA SER A 145 71.986 32.913 -3.071 1.00 25.00 C ATOM 1014 C SER A 145 72.857 32.365 -4.197 1.00 25.00 C ATOM 1015 O SER A 145 72.702 32.705 -5.369 1.00 25.00 O ATOM 1016 CB SER A 145 70.911 31.878 -2.743 1.00 25.00 C ATOM 1017 OG SER A 145 70.099 32.310 -1.663 1.00 25.00 O ATOM 0 H SER A 145 70.834 34.222 -4.236 1.00 25.00 H new ATOM 0 HA SER A 145 72.661 33.102 -2.236 1.00 25.00 H new ATOM 0 HB2 SER A 145 70.290 31.703 -3.622 1.00 25.00 H new ATOM 0 HB3 SER A 145 71.382 30.928 -2.491 1.00 25.00 H new ATOM 0 HG SER A 145 69.335 32.816 -2.010 1.00 25.00 H new ATOM 1023 N GLN A 146 73.749 31.461 -3.825 1.00 25.00 N ATOM 1024 CA GLN A 146 74.596 30.748 -4.776 1.00 25.00 C ATOM 1025 C GLN A 146 74.555 29.273 -4.399 1.00 25.00 C ATOM 1026 O GLN A 146 74.286 28.939 -3.252 1.00 25.00 O ATOM 1027 CB GLN A 146 76.028 31.289 -4.746 1.00 25.00 C ATOM 1028 CG GLN A 146 76.740 31.138 -3.389 1.00 25.00 C ATOM 1029 CD GLN A 146 78.151 31.701 -3.391 1.00 25.00 C ATOM 1030 OE1 GLN A 146 78.656 32.033 -4.554 1.00 25.00 O flip ATOM 1031 NE2 GLN A 146 78.782 31.816 -2.350 1.00 25.00 N flip ATOM 0 H GLN A 146 73.909 31.198 -2.853 1.00 25.00 H new ATOM 0 HA GLN A 146 74.233 30.888 -5.794 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.613 30.774 -5.508 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.010 32.345 -5.017 1.00 25.00 H new ATOM 0 HG2 GLN A 146 76.155 31.643 -2.620 1.00 25.00 H new ATOM 0 HG3 GLN A 146 76.777 30.082 -3.120 1.00 25.00 H new ATOM 0 HE21 GLN A 146 78.356 31.547 -1.463 1.00 25.00 H new ATOM 0 HE22 GLN A 146 79.734 32.181 -2.369 1.00 25.00 H new ATOM 1040 N ILE A 147 74.775 28.399 -5.368 1.00 25.00 N ATOM 1041 CA ILE A 147 74.635 26.955 -5.156 1.00 25.00 C ATOM 1042 C ILE A 147 75.908 26.217 -5.624 1.00 25.00 C ATOM 1043 O ILE A 147 76.517 26.578 -6.642 1.00 25.00 O ATOM 1044 CB ILE A 147 73.324 26.447 -5.852 1.00 25.00 C ATOM 1045 CG1 ILE A 147 73.030 24.988 -5.448 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.400 26.664 -7.385 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.684 24.426 -5.984 1.00 25.00 C ATOM 0 H ILE A 147 75.052 28.659 -6.314 1.00 25.00 H new ATOM 0 HA ILE A 147 74.534 26.737 -4.093 1.00 25.00 H new ATOM 0 HB ILE A 147 72.475 27.037 -5.506 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.841 24.355 -5.807 1.00 25.00 H new ATOM 0 HG13 ILE A 147 73.030 24.919 -4.360 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.481 26.305 -7.849 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.523 27.726 -7.596 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.250 26.113 -7.789 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.562 23.395 -5.651 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.860 25.030 -5.604 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.685 24.457 -7.074 1.00 25.00 H new ATOM 1059 N VAL A 148 76.341 25.245 -4.832 1.00 25.00 N ATOM 1060 CA VAL A 148 77.604 24.536 -5.047 1.00 25.00 C ATOM 1061 C VAL A 148 77.410 23.034 -4.756 1.00 25.00 C ATOM 1062 O VAL A 148 76.615 22.656 -3.897 1.00 25.00 O ATOM 1063 CB VAL A 148 78.728 25.190 -4.130 1.00 25.00 C ATOM 1064 CG1 VAL A 148 78.414 25.027 -2.638 1.00 25.00 C ATOM 1065 CG2 VAL A 148 80.116 24.629 -4.428 1.00 25.00 C ATOM 0 H VAL A 148 75.824 24.921 -4.015 1.00 25.00 H new ATOM 0 HA VAL A 148 77.925 24.626 -6.085 1.00 25.00 H new ATOM 0 HB VAL A 148 78.730 26.253 -4.372 1.00 25.00 H new ATOM 0 HG11 VAL A 148 79.206 25.487 -2.047 1.00 25.00 H new ATOM 0 HG12 VAL A 148 77.464 25.511 -2.411 1.00 25.00 H new ATOM 0 HG13 VAL A 148 78.348 23.967 -2.394 1.00 25.00 H new ATOM 0 HG21 VAL A 148 80.849 25.106 -3.777 1.00 25.00 H new ATOM 0 HG22 VAL A 148 80.119 23.553 -4.251 1.00 25.00 H new ATOM 0 HG23 VAL A 148 80.372 24.826 -5.469 1.00 25.00 H new ATOM 1075 N TYR A 149 78.115 22.187 -5.494 1.00 25.00 N ATOM 1076 CA TYR A 149 78.050 20.733 -5.331 1.00 25.00 C ATOM 1077 C TYR A 149 79.425 20.177 -5.666 1.00 25.00 C ATOM 1078 O TYR A 149 80.064 20.669 -6.584 1.00 25.00 O ATOM 1079 CB TYR A 149 77.024 20.151 -6.296 1.00 25.00 C ATOM 1080 CG TYR A 149 77.164 18.660 -6.501 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.930 17.755 -5.446 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.545 18.143 -7.757 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.077 16.354 -5.643 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.685 16.746 -7.956 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.450 15.863 -6.900 1.00 25.00 C ATOM 1086 OH TYR A 149 77.591 14.516 -7.113 1.00 25.00 O ATOM 0 H TYR A 149 78.754 22.488 -6.230 1.00 25.00 H new ATOM 0 HA TYR A 149 77.759 20.474 -4.313 1.00 25.00 H new ATOM 0 HB2 TYR A 149 76.023 20.365 -5.922 1.00 25.00 H new ATOM 0 HB3 TYR A 149 77.118 20.652 -7.259 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.636 18.130 -4.477 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.732 18.820 -8.577 1.00 25.00 H new ATOM 0 HE1 TYR A 149 76.901 15.671 -4.825 1.00 25.00 H new ATOM 0 HE2 TYR A 149 77.973 16.365 -8.924 1.00 25.00 H new ATOM 0 HH TYR A 149 77.437 14.034 -6.274 1.00 25.00 H new ATOM 1096 N ALA A 150 79.889 19.189 -4.905 1.00 25.00 N ATOM 1097 CA ALA A 150 81.219 18.590 -5.101 1.00 25.00 C ATOM 1098 C ALA A 150 82.303 19.685 -5.178 1.00 25.00 C ATOM 1099 O ALA A 150 83.191 19.645 -6.027 1.00 25.00 O ATOM 1100 CB ALA A 150 81.227 17.702 -6.366 1.00 25.00 C ATOM 0 H ALA A 150 79.360 18.778 -4.136 1.00 25.00 H new ATOM 0 HA ALA A 150 81.447 17.957 -4.243 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.217 17.266 -6.498 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.491 16.905 -6.256 1.00 25.00 H new ATOM 0 HB3 ALA A 150 80.978 18.308 -7.237 1.00 25.00 H new ATOM 1106 N GLU A 151 82.162 20.676 -4.299 1.00 25.00 N ATOM 1107 CA GLU A 151 83.067 21.836 -4.190 1.00 25.00 C ATOM 1108 C GLU A 151 83.167 22.706 -5.461 1.00 25.00 C ATOM 1109 O GLU A 151 84.034 23.572 -5.558 1.00 25.00 O ATOM 1110 CB GLU A 151 84.464 21.383 -3.733 1.00 25.00 C ATOM 1111 CG GLU A 151 84.446 20.593 -2.425 1.00 25.00 C ATOM 1112 CD GLU A 151 85.842 20.235 -1.947 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.536 21.127 -1.413 1.00 25.00 O ATOM 1114 OE2 GLU A 151 86.240 19.060 -2.093 1.00 25.00 O1- ATOM 0 H GLU A 151 81.399 20.702 -3.623 1.00 25.00 H new ATOM 0 HA GLU A 151 82.616 22.484 -3.438 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.913 20.769 -4.514 1.00 25.00 H new ATOM 0 HB3 GLU A 151 85.101 22.259 -3.611 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.941 21.178 -1.657 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.867 19.680 -2.563 1.00 25.00 H new ATOM 1121 N ARG A 152 82.252 22.522 -6.408 1.00 25.00 N ATOM 1122 CA ARG A 152 82.228 23.322 -7.643 1.00 25.00 C ATOM 1123 C ARG A 152 80.848 23.946 -7.842 1.00 25.00 C ATOM 1124 O ARG A 152 79.838 23.353 -7.480 1.00 25.00 O ATOM 1125 CB ARG A 152 82.585 22.434 -8.836 1.00 25.00 C ATOM 1126 CG ARG A 152 83.984 21.850 -8.735 1.00 25.00 C ATOM 1127 CD ARG A 152 84.326 21.007 -9.939 1.00 25.00 C ATOM 1128 NE ARG A 152 85.642 20.371 -9.765 1.00 25.00 N ATOM 1129 CZ ARG A 152 86.272 19.647 -10.682 1.00 25.00 C ATOM 1130 NH1 ARG A 152 85.765 19.429 -11.871 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 87.437 19.134 -10.397 1.00 25.00 N ATOM 0 H ARG A 152 81.511 21.824 -6.349 1.00 25.00 H new ATOM 0 HA ARG A 152 82.961 24.125 -7.563 1.00 25.00 H new ATOM 0 HB2 ARG A 152 81.861 21.622 -8.909 1.00 25.00 H new ATOM 0 HB3 ARG A 152 82.504 23.016 -9.754 1.00 25.00 H new ATOM 0 HG2 ARG A 152 84.709 22.658 -8.639 1.00 25.00 H new ATOM 0 HG3 ARG A 152 84.061 21.243 -7.833 1.00 25.00 H new ATOM 0 HD2 ARG A 152 83.562 20.243 -10.084 1.00 25.00 H new ATOM 0 HD3 ARG A 152 84.331 21.627 -10.835 1.00 25.00 H new ATOM 0 HE ARG A 152 86.108 20.497 -8.866 1.00 25.00 H new ATOM 0 HH11 ARG A 152 84.856 19.821 -12.118 1.00 25.00 H new ATOM 0 HH12 ARG A 152 86.279 18.867 -12.549 1.00 25.00 H new ATOM 0 HH21 ARG A 152 87.853 19.291 -9.479 1.00 25.00 H new ATOM 0 HH22 ARG A 152 87.932 18.576 -11.092 1.00 25.00 H new ATOM 1145 N PRO A 153 80.783 25.178 -8.371 1.00 25.00 N ATOM 1146 CA PRO A 153 79.441 25.759 -8.472 1.00 25.00 C ATOM 1147 C PRO A 153 78.607 25.140 -9.589 1.00 25.00 C ATOM 1148 O PRO A 153 79.132 24.695 -10.606 1.00 25.00 O ATOM 1149 CB PRO A 153 79.730 27.230 -8.756 1.00 25.00 C ATOM 1150 CG PRO A 153 80.999 27.202 -9.525 1.00 25.00 C ATOM 1151 CD PRO A 153 81.811 26.116 -8.860 1.00 25.00 C ATOM 0 HA PRO A 153 78.850 25.588 -7.572 1.00 25.00 H new ATOM 0 HB2 PRO A 153 78.926 27.692 -9.329 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.834 27.802 -7.834 1.00 25.00 H new ATOM 0 HG2 PRO A 153 80.822 26.979 -10.577 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.511 28.164 -9.484 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.493 25.636 -9.562 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.418 26.509 -8.044 1.00 25.00 H new ATOM 1159 N LEU A 154 77.297 25.161 -9.408 1.00 25.00 N ATOM 1160 CA LEU A 154 76.364 24.665 -10.426 1.00 25.00 C ATOM 1161 C LEU A 154 75.947 25.865 -11.281 1.00 0.00 C ATOM 1162 O LEU A 154 74.791 26.296 -11.273 1.00 25.00 O ATOM 1163 CB LEU A 154 75.145 23.996 -9.770 1.00 25.00 C ATOM 1164 CG LEU A 154 75.446 22.794 -8.851 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.223 22.399 -8.031 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.895 21.606 -9.667 1.00 25.00 C ATOM 0 H LEU A 154 76.847 25.516 -8.565 1.00 25.00 H new ATOM 0 HA LEU A 154 76.839 23.906 -11.048 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.612 24.748 -9.188 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.469 23.665 -10.558 1.00 25.00 H new ATOM 0 HG LEU A 154 76.242 23.097 -8.171 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.470 21.549 -7.395 1.00 25.00 H new ATOM 0 HD12 LEU A 154 73.915 23.240 -7.410 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.408 22.125 -8.701 1.00 25.00 H new ATOM 0 HD21 LEU A 154 76.103 20.767 -9.004 1.00 25.00 H new ATOM 0 HD22 LEU A 154 75.108 21.328 -10.368 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.798 21.865 -10.219 1.00 25.00 H new ATOM 1178 N THR A 155 76.934 26.468 -11.927 1.00 25.00 N ATOM 1179 CA THR A 155 76.744 27.716 -12.667 1.00 25.00 C ATOM 1180 C THR A 155 75.949 27.551 -13.948 1.00 25.00 C ATOM 1181 O THR A 155 75.144 28.415 -14.304 1.00 25.00 O ATOM 1182 CB THR A 155 78.109 28.292 -13.073 1.00 25.00 C ATOM 1183 OG1 THR A 155 79.069 27.231 -13.098 1.00 25.00 O ATOM 1184 CG2 THR A 155 78.580 29.332 -12.078 1.00 25.00 C ATOM 0 H THR A 155 77.889 26.110 -11.956 1.00 25.00 H new ATOM 0 HA THR A 155 76.192 28.371 -11.993 1.00 25.00 H new ATOM 0 HB THR A 155 78.008 28.758 -14.053 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.944 27.588 -13.358 1.00 25.00 H new ATOM 0 HG21 THR A 155 79.548 29.722 -12.391 1.00 25.00 H new ATOM 0 HG22 THR A 155 77.857 30.147 -12.034 1.00 25.00 H new ATOM 0 HG23 THR A 155 78.674 28.876 -11.092 1.00 25.00 H new ATOM 1192 N ASP A 156 76.191 26.461 -14.658 1.00 25.00 N ATOM 1193 CA ASP A 156 75.555 26.240 -15.952 1.00 25.00 C ATOM 1194 C ASP A 156 74.140 25.732 -15.731 1.00 25.00 C ATOM 1195 O ASP A 156 73.912 24.547 -15.484 1.00 25.00 O ATOM 1196 CB ASP A 156 76.362 25.252 -16.787 1.00 25.00 C ATOM 1197 CG ASP A 156 77.764 25.740 -17.054 1.00 25.00 C ATOM 1198 OD1 ASP A 156 77.921 26.874 -17.538 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 78.718 24.997 -16.744 1.00 25.00 O1- ATOM 0 H ASP A 156 76.821 25.715 -14.363 1.00 25.00 H new ATOM 0 HA ASP A 156 75.516 27.181 -16.501 1.00 25.00 H new ATOM 0 HB2 ASP A 156 76.406 24.293 -16.270 1.00 25.00 H new ATOM 0 HB3 ASP A 156 75.853 25.080 -17.735 1.00 25.00 H new ATOM 1204 N ASN A 157 73.197 26.660 -15.762 1.00 25.00 N ATOM 1205 CA ASN A 157 71.801 26.370 -15.445 1.00 25.00 C ATOM 1206 C ASN A 157 71.111 25.522 -16.518 1.00 25.00 C ATOM 1207 O ASN A 157 70.100 24.884 -16.253 1.00 25.00 O ATOM 1208 CB ASN A 157 71.033 27.685 -15.247 1.00 25.00 C ATOM 1209 CG ASN A 157 70.742 28.391 -16.554 1.00 25.00 C ATOM 1210 OD1 ASN A 157 69.741 28.143 -17.179 1.00 25.00 O ATOM 1211 ND2 ASN A 157 71.618 29.270 -16.961 1.00 25.00 N ATOM 0 H ASN A 157 73.373 27.634 -16.007 1.00 25.00 H new ATOM 0 HA ASN A 157 71.795 25.785 -14.525 1.00 25.00 H new ATOM 0 HB2 ASN A 157 70.094 27.479 -14.732 1.00 25.00 H new ATOM 0 HB3 ASN A 157 71.612 28.346 -14.602 1.00 25.00 H new ATOM 0 HD21 ASN A 157 71.467 29.774 -17.835 1.00 25.00 H new ATOM 0 HD22 ASN A 157 72.453 29.453 -16.405 1.00 25.00 H new ATOM 1218 N HIS A 158 71.674 25.514 -17.717 1.00 25.00 N ATOM 1219 CA HIS A 158 71.091 24.784 -18.843 1.00 25.00 C ATOM 1220 C HIS A 158 71.467 23.306 -18.838 1.00 25.00 C ATOM 1221 O HIS A 158 71.011 22.545 -19.677 1.00 25.00 O ATOM 1222 CB HIS A 158 71.562 25.418 -20.151 1.00 25.00 C ATOM 1223 CG HIS A 158 71.254 26.879 -20.250 1.00 25.00 C ATOM 1224 ND1 HIS A 158 69.986 27.403 -20.267 1.00 25.00 N ATOM 1225 CD2 HIS A 158 72.084 27.956 -20.333 1.00 25.00 C ATOM 1226 CE1 HIS A 158 70.086 28.726 -20.349 1.00 25.00 C ATOM 1227 NE2 HIS A 158 71.345 29.120 -20.386 1.00 25.00 N ATOM 0 H HIS A 158 72.539 26.006 -17.940 1.00 25.00 H new ATOM 0 HA HIS A 158 70.007 24.847 -18.748 1.00 25.00 H new ATOM 0 HB2 HIS A 158 72.638 25.274 -20.249 1.00 25.00 H new ATOM 0 HB3 HIS A 158 71.094 24.898 -20.987 1.00 25.00 H new ATOM 0 HD2 HIS A 158 73.163 27.906 -20.354 1.00 25.00 H new ATOM 0 HE1 HIS A 158 69.240 29.397 -20.381 1.00 25.00 H new ATOM 0 HE2 HIS A 158 71.695 30.076 -20.442 1.00 25.00 H new ATOM 1235 N ARG A 159 72.318 22.901 -17.907 1.00 25.00 N ATOM 1236 CA ARG A 159 72.702 21.495 -17.808 1.00 25.00 C ATOM 1237 C ARG A 159 71.680 20.784 -16.955 1.00 25.00 C ATOM 1238 O ARG A 159 71.141 21.364 -16.019 1.00 25.00 O ATOM 1239 CB ARG A 159 74.067 21.343 -17.145 1.00 25.00 C ATOM 1240 CG ARG A 159 75.237 21.796 -17.983 1.00 25.00 C ATOM 1241 CD ARG A 159 76.526 21.503 -17.237 1.00 25.00 C ATOM 1242 NE ARG A 159 77.703 22.071 -17.909 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.949 21.993 -17.456 1.00 25.00 C ATOM 1244 NH1 ARG A 159 79.249 21.366 -16.343 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.910 22.548 -18.137 1.00 25.00 N ATOM 0 H ARG A 159 72.752 23.514 -17.217 1.00 25.00 H new ATOM 0 HA ARG A 159 72.750 21.073 -18.812 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.066 21.908 -16.213 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.212 20.295 -16.882 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.233 21.281 -18.944 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.158 22.863 -18.193 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.458 21.906 -16.227 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.651 20.424 -17.142 1.00 25.00 H new ATOM 0 HE ARG A 159 77.552 22.562 -18.790 1.00 25.00 H new ATOM 0 HH11 ARG A 159 78.514 20.918 -15.796 1.00 25.00 H new ATOM 0 HH12 ARG A 159 80.217 21.326 -16.025 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.702 23.036 -19.008 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.871 22.495 -17.799 1.00 25.00 H new ATOM 1259 N SER A 160 71.468 19.515 -17.237 1.00 25.00 N ATOM 1260 CA SER A 160 70.610 18.682 -16.412 1.00 25.00 C ATOM 1261 C SER A 160 71.371 18.227 -15.172 1.00 25.00 C ATOM 1262 O SER A 160 72.602 18.276 -15.139 1.00 25.00 O ATOM 1263 CB SER A 160 70.180 17.463 -17.212 1.00 25.00 C ATOM 1264 OG SER A 160 69.979 17.818 -18.567 1.00 25.00 O ATOM 0 H SER A 160 71.880 19.033 -18.036 1.00 25.00 H new ATOM 0 HA SER A 160 69.734 19.254 -16.107 1.00 25.00 H new ATOM 0 HB2 SER A 160 70.940 16.685 -17.141 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.261 17.051 -16.796 1.00 25.00 H new ATOM 0 HG SER A 160 69.324 17.211 -18.971 1.00 25.00 H new ATOM 1270 N LEU A 161 70.659 17.726 -14.175 1.00 25.00 N ATOM 1271 CA LEU A 161 71.291 17.201 -12.959 1.00 25.00 C ATOM 1272 C LEU A 161 72.219 16.025 -13.285 1.00 25.00 C ATOM 1273 O LEU A 161 73.341 15.921 -12.757 1.00 25.00 O ATOM 1274 CB LEU A 161 70.201 16.750 -11.987 1.00 25.00 C ATOM 1275 CG LEU A 161 69.335 17.887 -11.421 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.088 17.312 -10.824 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.082 18.684 -10.364 1.00 25.00 C ATOM 0 H LEU A 161 69.641 17.669 -14.177 1.00 25.00 H new ATOM 0 HA LEU A 161 71.893 17.989 -12.506 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.553 16.036 -12.495 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.669 16.221 -11.157 1.00 25.00 H new ATOM 0 HG LEU A 161 69.085 18.562 -12.239 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.472 18.117 -10.422 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.530 16.777 -11.592 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.353 16.623 -10.022 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.439 19.479 -9.986 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.364 18.025 -9.543 1.00 25.00 H new ATOM 0 HD23 LEU A 161 70.979 19.120 -10.804 1.00 25.00 H new ATOM 1289 N ALA A 162 71.787 15.186 -14.215 1.00 25.00 N ATOM 1290 CA ALA A 162 72.591 14.057 -14.678 1.00 25.00 C ATOM 1291 C ALA A 162 73.939 14.513 -15.256 1.00 25.00 C ATOM 1292 O ALA A 162 74.928 13.793 -15.162 1.00 25.00 O ATOM 1293 CB ALA A 162 71.807 13.261 -15.728 1.00 25.00 C ATOM 0 H ALA A 162 70.877 15.264 -14.669 1.00 25.00 H new ATOM 0 HA ALA A 162 72.803 13.421 -13.818 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.409 12.420 -16.071 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.882 12.889 -15.287 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.571 13.907 -16.573 1.00 25.00 H new ATOM 1299 N SER A 163 73.985 15.709 -15.828 1.00 25.00 N ATOM 1300 CA SER A 163 75.219 16.237 -16.421 1.00 25.00 C ATOM 1301 C SER A 163 76.256 16.607 -15.362 1.00 25.00 C ATOM 1302 O SER A 163 77.438 16.742 -15.675 1.00 25.00 O ATOM 1303 CB SER A 163 74.918 17.468 -17.273 1.00 25.00 C ATOM 1304 OG SER A 163 76.093 17.936 -17.914 1.00 25.00 O ATOM 0 H SER A 163 73.184 16.337 -15.897 1.00 25.00 H new ATOM 0 HA SER A 163 75.633 15.443 -17.043 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.164 17.223 -18.021 1.00 25.00 H new ATOM 0 HB3 SER A 163 74.501 18.257 -16.646 1.00 25.00 H new ATOM 0 HG SER A 163 76.880 17.636 -17.414 1.00 25.00 H new ATOM 1310 N TYR A 164 75.826 16.755 -14.115 1.00 25.00 N ATOM 1311 CA TYR A 164 76.751 17.016 -13.010 1.00 25.00 C ATOM 1312 C TYR A 164 77.011 15.719 -12.252 1.00 25.00 C ATOM 1313 O TYR A 164 77.819 15.679 -11.334 1.00 25.00 O ATOM 1314 CB TYR A 164 76.169 18.041 -12.047 1.00 25.00 C ATOM 1315 CG TYR A 164 76.193 19.450 -12.584 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.355 20.241 -12.469 1.00 25.00 C ATOM 1317 CD2 TYR A 164 75.060 20.011 -13.196 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.373 21.581 -12.940 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.075 21.351 -13.662 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.224 22.123 -13.519 1.00 25.00 C ATOM 1321 OH TYR A 164 76.218 23.422 -13.955 1.00 25.00 O ATOM 0 H TYR A 164 74.845 16.700 -13.840 1.00 25.00 H new ATOM 0 HA TYR A 164 77.680 17.408 -13.424 1.00 25.00 H new ATOM 0 HB2 TYR A 164 75.140 17.766 -11.814 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.727 18.007 -11.111 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.242 19.823 -12.017 1.00 25.00 H new ATOM 0 HD2 TYR A 164 74.167 19.415 -13.313 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.270 22.177 -12.851 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.196 21.771 -14.127 1.00 25.00 H new ATOM 0 HH TYR A 164 75.383 23.602 -14.435 1.00 25.00 H new ATOM 1331 N GLY A 165 76.302 14.666 -12.634 1.00 25.00 N ATOM 1332 CA GLY A 165 76.406 13.393 -11.941 1.00 25.00 C ATOM 1333 C GLY A 165 75.559 13.374 -10.683 1.00 25.00 C ATOM 1334 O GLY A 165 75.753 12.524 -9.816 1.00 25.00 O ATOM 0 H GLY A 165 75.650 14.669 -13.419 1.00 25.00 H new ATOM 0 HA2 GLY A 165 76.090 12.589 -12.606 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.448 13.202 -11.682 1.00 25.00 H new ATOM 1338 N LEU A 166 74.614 14.300 -10.582 1.00 25.00 N ATOM 1339 CA LEU A 166 73.770 14.393 -9.393 1.00 25.00 C ATOM 1340 C LEU A 166 72.752 13.266 -9.384 1.00 25.00 C ATOM 1341 O LEU A 166 71.635 13.419 -9.852 1.00 25.00 O ATOM 1342 CB LEU A 166 73.069 15.755 -9.344 1.00 25.00 C ATOM 1343 CG LEU A 166 73.973 16.881 -8.834 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.485 18.251 -9.265 1.00 25.00 C ATOM 1345 CD2 LEU A 166 74.030 16.818 -7.326 1.00 25.00 C ATOM 0 H LEU A 166 74.412 14.994 -11.302 1.00 25.00 H new ATOM 0 HA LEU A 166 74.398 14.298 -8.507 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.712 16.009 -10.342 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.192 15.682 -8.701 1.00 25.00 H new ATOM 0 HG LEU A 166 74.964 16.738 -9.266 1.00 25.00 H new ATOM 0 HD11 LEU A 166 74.159 19.015 -8.879 1.00 25.00 H new ATOM 0 HD12 LEU A 166 73.463 18.303 -10.354 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.482 18.420 -8.873 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.672 17.616 -6.952 1.00 25.00 H new ATOM 0 HD22 LEU A 166 73.026 16.939 -6.919 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.433 15.854 -7.017 1.00 25.00 H new ATOM 1357 N LYS A 167 73.180 12.117 -8.889 1.00 25.00 N ATOM 1358 CA LYS A 167 72.327 10.924 -8.799 1.00 25.00 C ATOM 1359 C LYS A 167 71.589 10.872 -7.467 1.00 25.00 C ATOM 1360 O LYS A 167 71.879 11.633 -6.558 1.00 25.00 O ATOM 1361 CB LYS A 167 73.188 9.673 -8.947 1.00 25.00 C ATOM 1362 CG LYS A 167 73.852 9.574 -10.303 1.00 25.00 C ATOM 1363 CD LYS A 167 74.729 8.350 -10.381 1.00 25.00 C ATOM 1364 CE LYS A 167 75.456 8.313 -11.711 1.00 25.00 C ATOM 1365 NZ LYS A 167 76.341 7.111 -11.792 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.126 11.976 -8.536 1.00 25.00 H new ATOM 0 HA LYS A 167 71.589 10.971 -9.599 1.00 25.00 H new ATOM 0 HB2 LYS A 167 73.954 9.671 -8.172 1.00 25.00 H new ATOM 0 HB3 LYS A 167 72.569 8.790 -8.786 1.00 25.00 H new ATOM 0 HG2 LYS A 167 73.092 9.533 -11.083 1.00 25.00 H new ATOM 0 HG3 LYS A 167 74.449 10.467 -10.487 1.00 25.00 H new ATOM 0 HD2 LYS A 167 75.450 8.357 -9.564 1.00 25.00 H new ATOM 0 HD3 LYS A 167 74.123 7.451 -10.264 1.00 25.00 H new ATOM 0 HE2 LYS A 167 74.733 8.295 -12.527 1.00 25.00 H new ATOM 0 HE3 LYS A 167 76.051 9.218 -11.832 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 76.831 7.102 -12.709 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 77.043 7.144 -11.025 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 75.766 6.250 -11.698 1.00 25.00 H new ATOM 1379 N ASP A 168 70.647 9.950 -7.352 1.00 25.00 N ATOM 1380 CA ASP A 168 69.874 9.784 -6.124 1.00 25.00 C ATOM 1381 C ASP A 168 70.803 9.571 -4.937 1.00 25.00 C ATOM 1382 O ASP A 168 71.664 8.696 -4.951 1.00 25.00 O ATOM 1383 CB ASP A 168 68.865 8.611 -6.204 1.00 25.00 C ATOM 1384 CG ASP A 168 69.335 7.446 -7.089 1.00 25.00 C ATOM 1385 OD1 ASP A 168 69.568 7.655 -8.310 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.282 6.298 -6.618 1.00 25.00 O1- ATOM 0 H ASP A 168 70.396 9.300 -8.097 1.00 25.00 H new ATOM 0 HA ASP A 168 69.302 10.702 -5.992 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.677 8.237 -5.198 1.00 25.00 H new ATOM 0 HB3 ASP A 168 67.916 8.986 -6.587 1.00 25.00 H new ATOM 1391 N GLY A 169 70.621 10.404 -3.922 1.00 25.00 N ATOM 1392 CA GLY A 169 71.444 10.340 -2.725 1.00 25.00 C ATOM 1393 C GLY A 169 72.452 11.469 -2.621 1.00 25.00 C ATOM 1394 O GLY A 169 72.956 11.744 -1.533 1.00 25.00 O ATOM 0 H GLY A 169 69.908 11.134 -3.905 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.797 10.359 -1.848 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.974 9.388 -2.709 1.00 25.00 H new ATOM 1398 N ASP A 170 72.736 12.148 -3.726 1.00 25.00 N ATOM 1399 CA ASP A 170 73.655 13.287 -3.690 1.00 25.00 C ATOM 1400 C ASP A 170 73.027 14.455 -2.934 1.00 25.00 C ATOM 1401 O ASP A 170 71.797 14.574 -2.823 1.00 25.00 O ATOM 1402 CB ASP A 170 74.024 13.749 -5.101 1.00 25.00 C ATOM 1403 CG ASP A 170 75.244 13.037 -5.647 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.324 13.177 -5.030 1.00 25.00 O ATOM 1405 OD2 ASP A 170 75.158 12.414 -6.724 1.00 25.00 O1- ATOM 0 H ASP A 170 72.352 11.937 -4.647 1.00 25.00 H new ATOM 0 HA ASP A 170 74.560 12.959 -3.178 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.179 13.577 -5.768 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.209 14.823 -5.091 1.00 25.00 H new ATOM 1410 N VAL A 171 73.883 15.329 -2.423 1.00 25.00 N ATOM 1411 CA VAL A 171 73.450 16.499 -1.669 1.00 25.00 C ATOM 1412 C VAL A 171 74.115 17.749 -2.236 1.00 25.00 C ATOM 1413 O VAL A 171 75.313 17.751 -2.527 1.00 25.00 O ATOM 1414 CB VAL A 171 73.752 16.319 -0.135 1.00 25.00 C ATOM 1415 CG1 VAL A 171 75.214 15.921 0.111 1.00 25.00 C ATOM 1416 CG2 VAL A 171 73.398 17.588 0.666 1.00 25.00 C ATOM 0 H VAL A 171 74.895 15.248 -2.519 1.00 25.00 H new ATOM 0 HA VAL A 171 72.371 16.613 -1.769 1.00 25.00 H new ATOM 0 HB VAL A 171 73.116 15.507 0.218 1.00 25.00 H new ATOM 0 HG11 VAL A 171 75.385 15.806 1.181 1.00 25.00 H new ATOM 0 HG12 VAL A 171 75.424 14.978 -0.393 1.00 25.00 H new ATOM 0 HG13 VAL A 171 75.873 16.696 -0.280 1.00 25.00 H new ATOM 0 HG21 VAL A 171 73.620 17.426 1.721 1.00 25.00 H new ATOM 0 HG22 VAL A 171 73.986 18.428 0.296 1.00 25.00 H new ATOM 0 HG23 VAL A 171 72.337 17.809 0.548 1.00 25.00 H new ATOM 1426 N VAL A 172 73.340 18.814 -2.406 1.00 25.00 N ATOM 1427 CA VAL A 172 73.878 20.080 -2.899 1.00 25.00 C ATOM 1428 C VAL A 172 73.852 21.069 -1.748 1.00 25.00 C ATOM 1429 O VAL A 172 73.107 20.890 -0.783 1.00 25.00 O ATOM 1430 CB VAL A 172 73.068 20.640 -4.107 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.081 19.641 -5.264 1.00 25.00 C ATOM 1432 CG2 VAL A 172 71.626 20.943 -3.710 1.00 25.00 C ATOM 0 H VAL A 172 72.339 18.828 -2.211 1.00 25.00 H new ATOM 0 HA VAL A 172 74.894 19.918 -3.259 1.00 25.00 H new ATOM 0 HB VAL A 172 73.543 21.568 -4.424 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.511 20.046 -6.101 1.00 25.00 H new ATOM 0 HG12 VAL A 172 74.109 19.461 -5.578 1.00 25.00 H new ATOM 0 HG13 VAL A 172 72.632 18.702 -4.939 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.085 21.332 -4.573 1.00 25.00 H new ATOM 0 HG22 VAL A 172 71.145 20.029 -3.362 1.00 25.00 H new ATOM 0 HG23 VAL A 172 71.617 21.685 -2.911 1.00 25.00 H new ATOM 1442 N ILE A 173 74.671 22.101 -1.835 1.00 25.00 N ATOM 1443 CA ILE A 173 74.762 23.098 -0.779 1.00 25.00 C ATOM 1444 C ILE A 173 74.449 24.456 -1.385 1.00 25.00 C ATOM 1445 O ILE A 173 75.021 24.845 -2.395 1.00 25.00 O ATOM 1446 CB ILE A 173 76.179 23.099 -0.124 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.448 21.729 0.542 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.306 24.248 0.914 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.900 21.514 1.004 1.00 25.00 C ATOM 0 H ILE A 173 75.287 22.273 -2.630 1.00 25.00 H new ATOM 0 HA ILE A 173 74.047 22.864 0.010 1.00 25.00 H new ATOM 0 HB ILE A 173 76.925 23.267 -0.901 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.787 21.622 1.403 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.184 20.940 -0.162 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.301 24.229 1.358 1.00 25.00 H new ATOM 0 HG22 ILE A 173 76.148 25.206 0.418 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.558 24.116 1.696 1.00 25.00 H new ATOM 0 HD11 ILE A 173 77.995 20.528 1.458 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.569 21.584 0.146 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.166 22.277 1.735 1.00 25.00 H new ATOM 1461 N LEU A 174 73.545 25.181 -0.755 1.00 25.00 N ATOM 1462 CA LEU A 174 73.184 26.523 -1.184 1.00 25.00 C ATOM 1463 C LEU A 174 73.628 27.471 -0.082 1.00 25.00 C ATOM 1464 O LEU A 174 73.484 27.166 1.091 1.00 25.00 O ATOM 1465 CB LEU A 174 71.669 26.611 -1.416 1.00 25.00 C ATOM 1466 CG LEU A 174 71.139 28.001 -1.815 1.00 25.00 C ATOM 1467 CD1 LEU A 174 70.111 27.887 -2.926 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.518 28.701 -0.609 1.00 25.00 C ATOM 0 H LEU A 174 73.038 24.858 0.069 1.00 25.00 H new ATOM 0 HA LEU A 174 73.668 26.785 -2.125 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.397 25.900 -2.196 1.00 25.00 H new ATOM 0 HB3 LEU A 174 71.161 26.295 -0.505 1.00 25.00 H new ATOM 0 HG LEU A 174 71.981 28.592 -2.176 1.00 25.00 H new ATOM 0 HD11 LEU A 174 69.751 28.881 -3.192 1.00 25.00 H new ATOM 0 HD12 LEU A 174 70.569 27.422 -3.799 1.00 25.00 H new ATOM 0 HD13 LEU A 174 69.274 27.276 -2.586 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.148 29.682 -0.908 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.691 28.103 -0.227 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.271 28.819 0.171 1.00 25.00 H new ATOM 1480 N ARG A 175 74.171 28.617 -0.451 1.00 25.00 N ATOM 1481 CA ARG A 175 74.562 29.641 0.518 1.00 25.00 C ATOM 1482 C ARG A 175 73.837 30.924 0.199 1.00 25.00 C ATOM 1483 O ARG A 175 73.921 31.417 -0.918 1.00 25.00 O ATOM 1484 CB ARG A 175 76.063 29.913 0.455 1.00 25.00 C ATOM 1485 CG ARG A 175 76.896 28.981 1.301 1.00 25.00 C ATOM 1486 CD ARG A 175 78.328 29.487 1.345 1.00 25.00 C ATOM 1487 NE ARG A 175 79.151 28.739 2.310 1.00 25.00 N ATOM 1488 CZ ARG A 175 80.404 29.038 2.637 1.00 25.00 C ATOM 1489 NH1 ARG A 175 81.040 30.054 2.102 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 81.026 28.305 3.518 1.00 25.00 N ATOM 0 H ARG A 175 74.355 28.869 -1.422 1.00 25.00 H new ATOM 0 HA ARG A 175 74.306 29.282 1.515 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.392 29.836 -0.581 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.249 30.939 0.773 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.487 28.924 2.310 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.867 27.973 0.888 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.771 29.406 0.352 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.330 30.544 1.610 1.00 25.00 H new ATOM 0 HE ARG A 175 78.727 27.929 2.762 1.00 25.00 H new ATOM 0 HH11 ARG A 175 80.572 30.642 1.412 1.00 25.00 H new ATOM 0 HH12 ARG A 175 82.002 30.255 2.376 1.00 25.00 H new ATOM 0 HH21 ARG A 175 80.551 27.512 3.948 1.00 25.00 H new ATOM 0 HH22 ARG A 175 81.988 28.525 3.777 1.00 25.00 H new ATOM 1504 N GLN A 176 73.164 31.477 1.212 1.00 25.00 N ATOM 1505 CA GLN A 176 72.519 32.794 1.111 1.00 25.00 C ATOM 1506 C GLN A 176 73.446 33.863 1.735 1.00 25.00 C ATOM 1507 O GLN A 176 74.477 34.248 1.228 1.00 25.00 O ATOM 1508 CB GLN A 176 71.085 32.767 1.719 1.00 25.00 C ATOM 1509 CG GLN A 176 70.298 34.067 1.400 1.00 25.00 C ATOM 1510 CD GLN A 176 69.021 34.120 2.205 1.00 25.00 C ATOM 1511 OE1 GLN A 176 68.759 33.336 3.086 1.00 25.00 O ATOM 1512 NE2 GLN A 176 68.197 35.122 1.963 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.195 34.200 2.859 1.00 25.00 O ATOM 0 H GLN A 176 73.050 31.029 2.121 1.00 25.00 H new ATOM 0 HA GLN A 176 72.376 33.063 0.065 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.541 31.907 1.328 1.00 25.00 H new ATOM 0 HB3 GLN A 176 71.151 32.638 2.799 1.00 25.00 H new ATOM 0 HG2 GLN A 176 70.914 34.937 1.626 1.00 25.00 H new ATOM 0 HG3 GLN A 176 70.066 34.108 0.336 1.00 25.00 H new ATOM 0 HE21 GLN A 176 68.409 35.789 1.221 1.00 25.00 H new ATOM 0 HE22 GLN A 176 67.348 35.229 2.518 1.00 25.00 H new TER 1523 GLN A 176