USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1324 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 20 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 22 CYS SG : rot -101:sc= 0.293 USER MOD Set 1.3: A 26 CYS SG : rot 160:sc= -0.806 USER MOD Set 2.1: A 8 SER OG : rot -116:sc= 0.52 USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= -0.0924 USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -0.0462 (180deg=-0.5) USER MOD Single : A 14 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.77) USER MOD Single : A 16 GLN : amide:sc= -0.213 K(o=-0.21,f=-2!) USER MOD Single : A 24 CYS SG : rot -80:sc= 0.204 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 41:sc= -2.25 USER MOD Single : A 37 ASN : amide:sc= -4.92! C(o=-4.9!,f=-13!) USER MOD Single : A 38 SER OG : rot -109:sc= 0.289 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -140:sc= -0.707 USER MOD Single : A 53 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -1.75! K(o=-1.7!,f=-0.82) USER MOD Single : A 58 MET CE :methyl -164:sc= -1.06 (180deg=-2.25) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.52) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.261 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -7.84! C(o=-7.8!,f=-2.6!) USER MOD Single : A 81 SER OG : rot -139:sc= -0.474 USER MOD Single : A 82 CYS SG : rot 180:sc= -0.782 USER MOD Single : A 86 HIS : no HD1:sc= -0.949 K(o=-0.95,f=-3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.215 USER MOD Single : A 92 GLN : amide:sc= -5.12! C(o=-5.1!,f=-6.5!) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= -1.05 (180deg=-1.66) USER MOD Single : A 96 GLN : amide:sc= -0.901 K(o=-0.9,f=-2.2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.87! C(o=-1.9!,f=-3.1!) USER MOD Single : A 106 GLN : amide:sc= -0.868 K(o=-0.87,f=-0.21) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.228 USER MOD Single : A 111 THR OG1 : rot 77:sc= 1.08 USER MOD Single : A 114 CYS SG : rot 140:sc= -0.48 USER MOD Single : A 116 SER OG : rot 180:sc= 0.308 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.14) USER MOD Single : A 122 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.42) USER MOD Single : A 127 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-0.5) USER MOD Single : A 128 SER OG : rot -96:sc= 0.0987 USER MOD Single : A 129 CYS SG : rot -178:sc= 0.328 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 165:sc= -0.872 USER MOD Single : A 143 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.49) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -3.94! K(o=-3.9!,f=0.14) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.0367 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot -59:sc= -2.43! USER MOD Single : A 158 LYS NZ :NH3+ 162:sc= -0.0127 (180deg=-0.202) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.13) USER MOD Single : A 171 SER OG : rot -165:sc= 0.0499 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.515 -11.376 0.624 1.00 0.52 N ATOM 51 CA GLY A 4 -15.870 -10.863 1.984 1.00 0.30 C ATOM 52 C GLY A 4 -14.565 -10.761 2.782 1.00 0.41 C ATOM 53 O GLY A 4 -14.152 -11.687 3.456 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.356 -9.890 1.914 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.572 -11.535 2.478 1.00 0.30 H new ATOM 57 N GLY A 5 -13.906 -9.633 2.684 1.00 0.01 N ATOM 58 CA GLY A 5 -12.614 -9.457 3.405 1.00 0.01 C ATOM 59 C GLY A 5 -12.856 -9.150 4.883 1.00 0.01 C ATOM 60 O GLY A 5 -13.852 -8.560 5.256 1.00 0.01 O ATOM 0 H GLY A 5 -14.209 -8.828 2.135 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.013 -10.361 3.310 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.045 -8.647 2.949 1.00 0.01 H new ATOM 64 N LYS A 6 -11.944 -9.554 5.728 1.00 0.00 N ATOM 65 CA LYS A 6 -12.099 -9.305 7.196 1.00 0.01 C ATOM 66 C LYS A 6 -10.720 -9.163 7.843 1.00 0.01 C ATOM 67 O LYS A 6 -9.814 -9.925 7.571 1.00 0.00 O ATOM 68 CB LYS A 6 -12.840 -10.481 7.841 1.00 0.02 C ATOM 69 CG LYS A 6 -13.146 -10.170 9.307 1.00 0.02 C ATOM 70 CD LYS A 6 -13.799 -11.399 9.949 1.00 0.02 C ATOM 71 CE LYS A 6 -14.149 -11.096 11.406 1.00 0.02 C ATOM 72 NZ LYS A 6 -12.896 -10.951 12.197 1.00 0.02 N ATOM 0 H LYS A 6 -11.092 -10.049 5.464 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.668 -8.387 7.345 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.767 -10.677 7.302 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.234 -11.384 7.772 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.229 -9.910 9.837 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -13.811 -9.309 9.379 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -14.699 -11.674 9.399 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -13.121 -12.251 9.898 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -14.738 -10.181 11.467 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -14.762 -11.898 11.818 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -13.119 -10.999 13.212 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -12.239 -11.718 11.950 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -12.454 -10.034 11.983 1.00 0.02 H new ATOM 86 N ILE A 7 -10.568 -8.189 8.711 1.00 0.02 N ATOM 87 CA ILE A 7 -9.260 -7.974 9.408 1.00 0.00 C ATOM 88 C ILE A 7 -9.498 -7.847 10.918 1.00 0.02 C ATOM 89 O ILE A 7 -10.439 -7.215 11.358 1.00 0.01 O ATOM 90 CB ILE A 7 -8.589 -6.719 8.850 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.347 -6.389 9.678 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.562 -5.547 8.903 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.519 -5.328 8.949 1.00 0.02 C ATOM 0 H ILE A 7 -11.302 -7.529 8.968 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.600 -8.825 9.236 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.298 -6.899 7.815 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.639 -6.025 10.663 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.751 -7.288 9.834 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.079 -4.655 8.504 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.444 -5.779 8.307 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -9.859 -5.367 9.936 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.633 -5.091 9.537 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.216 -5.710 7.974 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.118 -4.427 8.816 1.00 0.02 H new ATOM 105 N SER A 8 -8.636 -8.440 11.713 1.00 0.02 N ATOM 106 CA SER A 8 -8.778 -8.364 13.205 1.00 0.02 C ATOM 107 C SER A 8 -7.514 -7.755 13.819 1.00 0.01 C ATOM 108 O SER A 8 -6.414 -8.179 13.542 1.00 0.02 O ATOM 109 CB SER A 8 -8.980 -9.764 13.783 1.00 0.30 C ATOM 110 OG SER A 8 -9.253 -9.660 15.172 1.00 0.39 O ATOM 0 H SER A 8 -7.833 -8.978 11.389 1.00 0.02 H new ATOM 0 HA SER A 8 -9.641 -7.741 13.440 1.00 0.02 H new ATOM 0 HB2 SER A 8 -9.804 -10.265 13.275 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.089 -10.370 13.620 1.00 0.30 H new ATOM 0 HG SER A 8 -8.537 -10.097 15.680 1.00 0.39 H new ATOM 116 N PHE A 9 -7.679 -6.774 14.675 1.00 0.02 N ATOM 117 CA PHE A 9 -6.506 -6.129 15.351 1.00 0.01 C ATOM 118 C PHE A 9 -6.513 -6.511 16.839 1.00 0.01 C ATOM 119 O PHE A 9 -7.558 -6.567 17.457 1.00 0.02 O ATOM 120 CB PHE A 9 -6.616 -4.602 15.222 1.00 0.02 C ATOM 121 CG PHE A 9 -7.049 -4.221 13.826 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.384 -4.384 13.438 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.120 -3.692 12.922 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.789 -4.017 12.150 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.523 -3.327 11.634 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.859 -3.489 11.247 1.00 0.02 C ATOM 0 H PHE A 9 -8.586 -6.388 14.937 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.582 -6.468 14.884 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.333 -4.220 15.949 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.655 -4.141 15.450 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.102 -4.793 14.133 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.090 -3.566 13.220 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.820 -4.141 11.852 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.804 -2.920 10.938 1.00 0.02 H new ATOM 0 HZ PHE A 9 -8.172 -3.207 10.252 1.00 0.02 H new ATOM 136 N TYR A 10 -5.364 -6.784 17.415 1.00 0.02 N ATOM 137 CA TYR A 10 -5.308 -7.174 18.868 1.00 0.01 C ATOM 138 C TYR A 10 -4.396 -6.208 19.630 1.00 0.02 C ATOM 139 O TYR A 10 -3.364 -5.793 19.142 1.00 0.01 O ATOM 140 CB TYR A 10 -4.747 -8.593 18.992 1.00 0.02 C ATOM 141 CG TYR A 10 -5.420 -9.506 17.991 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.111 -9.402 16.628 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.343 -10.464 18.426 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.725 -10.253 15.702 1.00 0.02 C ATOM 145 CE2 TYR A 10 -6.957 -11.315 17.498 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.648 -11.210 16.136 1.00 0.00 C ATOM 147 OH TYR A 10 -7.252 -12.052 15.223 1.00 0.02 O ATOM 0 H TYR A 10 -4.460 -6.754 16.943 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.313 -7.134 19.288 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.671 -8.583 18.821 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.906 -8.968 20.003 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.398 -8.664 16.292 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.582 -10.547 19.476 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.486 -10.171 14.652 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.670 -12.054 17.833 1.00 0.02 H new ATOM 0 HH TYR A 10 -7.865 -12.657 15.691 1.00 0.02 H new ATOM 157 N GLU A 11 -4.784 -5.817 20.820 1.00 0.00 N ATOM 158 CA GLU A 11 -3.956 -4.846 21.590 1.00 0.02 C ATOM 159 C GLU A 11 -2.630 -5.460 22.037 1.00 0.03 C ATOM 160 O GLU A 11 -1.658 -4.749 22.209 1.00 0.03 O ATOM 161 CB GLU A 11 -4.728 -4.394 22.837 1.00 0.00 C ATOM 162 CG GLU A 11 -5.834 -3.424 22.436 1.00 0.00 C ATOM 163 CD GLU A 11 -6.565 -2.937 23.688 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.122 -3.270 24.775 1.00 0.02 O ATOM 165 OE2 GLU A 11 -7.554 -2.239 23.539 1.00 0.01 O ATOM 0 H GLU A 11 -5.636 -6.129 21.287 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.744 -4.001 20.935 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.156 -5.259 23.344 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.049 -3.915 23.542 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.411 -2.577 21.896 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.535 -3.914 21.760 1.00 0.00 H new ATOM 172 N ASP A 12 -2.561 -6.757 22.237 1.00 0.02 N ATOM 173 CA ASP A 12 -1.274 -7.379 22.683 1.00 0.01 C ATOM 174 C ASP A 12 -0.727 -8.301 21.592 1.00 0.02 C ATOM 175 O ASP A 12 -1.387 -8.609 20.619 1.00 0.02 O ATOM 176 CB ASP A 12 -1.510 -8.204 23.951 1.00 0.01 C ATOM 177 CG ASP A 12 -0.165 -8.612 24.559 1.00 0.01 C ATOM 178 OD1 ASP A 12 0.835 -8.020 24.190 1.00 0.03 O ATOM 179 OD2 ASP A 12 -0.159 -9.512 25.382 1.00 0.02 O ATOM 0 H ASP A 12 -3.337 -7.407 22.111 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.556 -6.584 22.883 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.085 -7.623 24.672 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -2.098 -9.091 23.715 1.00 0.01 H new ATOM 184 N ARG A 13 0.490 -8.727 21.766 1.00 0.02 N ATOM 185 CA ARG A 13 1.145 -9.624 20.773 1.00 0.02 C ATOM 186 C ARG A 13 0.579 -11.041 20.898 1.00 0.00 C ATOM 187 O ARG A 13 0.046 -11.427 21.919 1.00 0.02 O ATOM 188 CB ARG A 13 2.646 -9.644 21.068 1.00 0.00 C ATOM 189 CG ARG A 13 3.271 -8.325 20.605 1.00 0.01 C ATOM 190 CD ARG A 13 4.734 -8.252 21.049 1.00 0.02 C ATOM 191 NE ARG A 13 4.792 -7.826 22.479 1.00 0.03 N ATOM 192 CZ ARG A 13 5.896 -7.969 23.160 1.00 0.02 C ATOM 193 NH1 ARG A 13 6.947 -8.494 22.594 1.00 0.02 N ATOM 194 NH2 ARG A 13 5.948 -7.589 24.409 1.00 0.02 N ATOM 0 H ARG A 13 1.071 -8.488 22.570 1.00 0.02 H new ATOM 0 HA ARG A 13 0.960 -9.262 19.762 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.817 -9.786 22.135 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.118 -10.483 20.556 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.208 -8.245 19.520 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.715 -7.485 21.020 1.00 0.01 H new ATOM 0 HD2 ARG A 13 5.213 -9.224 20.927 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.281 -7.546 20.424 1.00 0.02 H new ATOM 0 HE ARG A 13 3.968 -7.423 22.924 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.906 -8.793 21.620 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.810 -8.606 23.126 1.00 0.02 H new ATOM 0 HH21 ARG A 13 5.125 -7.180 24.852 1.00 0.02 H new ATOM 0 HH22 ARG A 13 6.811 -7.701 24.941 1.00 0.02 H new ATOM 208 N ASN A 14 0.707 -11.817 19.853 1.00 0.02 N ATOM 209 CA ASN A 14 0.204 -13.221 19.871 1.00 0.02 C ATOM 210 C ASN A 14 -1.324 -13.250 19.967 1.00 0.02 C ATOM 211 O ASN A 14 -1.909 -14.113 20.592 1.00 0.02 O ATOM 212 CB ASN A 14 0.840 -13.966 21.049 1.00 0.26 C ATOM 213 CG ASN A 14 2.281 -13.489 21.234 1.00 0.12 C ATOM 214 OD1 ASN A 14 2.742 -13.335 22.347 1.00 0.74 O ATOM 215 ND2 ASN A 14 3.019 -13.250 20.182 1.00 0.46 N ATOM 0 H ASN A 14 1.145 -11.532 18.977 1.00 0.02 H new ATOM 0 HA ASN A 14 0.483 -13.716 18.941 1.00 0.02 H new ATOM 0 HB2 ASN A 14 0.267 -13.787 21.959 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.822 -15.040 20.867 1.00 0.26 H new ATOM 0 HD21 ASN A 14 3.982 -12.934 20.296 1.00 0.46 H new ATOM 0 HD22 ASN A 14 2.632 -13.379 19.247 1.00 0.46 H new ATOM 222 N PHE A 15 -1.952 -12.286 19.338 1.00 0.02 N ATOM 223 CA PHE A 15 -3.446 -12.175 19.321 1.00 0.02 C ATOM 224 C PHE A 15 -4.024 -12.284 20.730 1.00 0.00 C ATOM 225 O PHE A 15 -5.015 -12.947 20.965 1.00 0.02 O ATOM 226 CB PHE A 15 -4.072 -13.240 18.399 1.00 0.02 C ATOM 227 CG PHE A 15 -3.448 -14.594 18.625 1.00 0.02 C ATOM 228 CD1 PHE A 15 -3.985 -15.462 19.584 1.00 0.02 C ATOM 229 CD2 PHE A 15 -2.331 -14.983 17.876 1.00 0.02 C ATOM 230 CE1 PHE A 15 -3.405 -16.718 19.793 1.00 0.02 C ATOM 231 CE2 PHE A 15 -1.751 -16.238 18.085 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.288 -17.107 19.044 1.00 0.02 C ATOM 0 H PHE A 15 -1.475 -11.548 18.819 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.696 -11.191 18.925 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.145 -13.297 18.581 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.941 -12.946 17.358 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -4.847 -15.162 20.162 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -1.917 -14.313 17.136 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -3.819 -17.388 20.532 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -0.889 -16.538 17.507 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.840 -18.077 19.205 1.00 0.02 H new ATOM 242 N GLN A 16 -3.414 -11.604 21.663 1.00 0.02 N ATOM 243 CA GLN A 16 -3.904 -11.606 23.076 1.00 0.02 C ATOM 244 C GLN A 16 -4.414 -10.197 23.399 1.00 0.02 C ATOM 245 O GLN A 16 -4.163 -9.261 22.664 1.00 0.02 O ATOM 246 CB GLN A 16 -2.746 -11.953 24.016 1.00 0.02 C ATOM 247 CG GLN A 16 -2.486 -13.460 23.971 1.00 0.00 C ATOM 248 CD GLN A 16 -1.217 -13.783 24.764 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.289 -14.365 24.239 1.00 0.02 O ATOM 250 NE2 GLN A 16 -1.139 -13.423 26.016 1.00 0.02 N ATOM 0 H GLN A 16 -2.582 -11.036 21.505 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.699 -12.341 23.203 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.849 -11.409 23.721 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -2.985 -11.645 25.034 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.336 -13.999 24.389 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.376 -13.790 22.938 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.919 -12.934 26.456 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -0.298 -13.630 26.555 1.00 0.02 H new ATOM 259 N GLY A 17 -5.127 -10.024 24.480 1.00 0.03 N ATOM 260 CA GLY A 17 -5.632 -8.659 24.823 1.00 0.03 C ATOM 261 C GLY A 17 -6.990 -8.402 24.160 1.00 0.02 C ATOM 262 O GLY A 17 -7.621 -9.297 23.634 1.00 0.02 O ATOM 0 H GLY A 17 -5.381 -10.762 25.137 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.725 -8.561 25.905 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.914 -7.907 24.496 1.00 0.03 H new ATOM 266 N ARG A 18 -7.429 -7.171 24.171 1.00 0.00 N ATOM 267 CA ARG A 18 -8.732 -6.821 23.535 1.00 0.02 C ATOM 268 C ARG A 18 -8.597 -6.959 22.019 1.00 0.02 C ATOM 269 O ARG A 18 -7.566 -6.659 21.451 1.00 0.02 O ATOM 270 CB ARG A 18 -9.082 -5.376 23.888 1.00 0.79 C ATOM 271 CG ARG A 18 -10.540 -5.101 23.517 1.00 1.49 C ATOM 272 CD ARG A 18 -10.906 -3.667 23.906 1.00 1.42 C ATOM 273 NE ARG A 18 -10.495 -3.420 25.316 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.425 -2.200 25.774 1.00 2.35 C ATOM 275 NH1 ARG A 18 -10.711 -1.193 24.994 1.00 2.53 N ATOM 276 NH2 ARG A 18 -10.065 -1.987 27.009 1.00 2.76 N ATOM 0 H ARG A 18 -6.936 -6.387 24.597 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.517 -7.486 23.894 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -8.927 -5.203 24.953 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.424 -4.690 23.354 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.688 -5.247 22.447 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.195 -5.806 24.028 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -10.410 -2.960 23.241 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.979 -3.510 23.795 1.00 1.42 H new ATOM 0 HE ARG A 18 -10.268 -4.206 25.925 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -10.989 -1.360 24.027 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -10.656 -0.239 25.352 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -9.838 -2.774 27.617 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -10.010 -1.033 27.367 1.00 2.76 H new ATOM 290 N ARG A 19 -9.632 -7.430 21.360 1.00 0.02 N ATOM 291 CA ARG A 19 -9.576 -7.617 19.875 1.00 0.02 C ATOM 292 C ARG A 19 -10.677 -6.804 19.193 1.00 0.02 C ATOM 293 O ARG A 19 -11.738 -6.580 19.741 1.00 0.02 O ATOM 294 CB ARG A 19 -9.783 -9.106 19.554 1.00 0.85 C ATOM 295 CG ARG A 19 -9.796 -9.333 18.019 1.00 1.31 C ATOM 296 CD ARG A 19 -11.238 -9.377 17.471 1.00 1.34 C ATOM 297 NE ARG A 19 -11.711 -10.789 17.458 1.00 1.50 N ATOM 298 CZ ARG A 19 -12.979 -11.049 17.288 1.00 1.63 C ATOM 299 NH1 ARG A 19 -13.830 -10.071 17.133 1.00 1.72 N ATOM 300 NH2 ARG A 19 -13.397 -12.286 17.272 1.00 1.89 N ATOM 0 H ARG A 19 -10.518 -7.694 21.791 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.607 -7.278 19.509 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -8.987 -9.696 20.008 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.722 -9.450 19.987 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -9.242 -8.534 17.526 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -9.286 -10.267 17.783 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -11.895 -8.766 18.091 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -11.271 -8.960 16.464 1.00 1.34 H new ATOM 0 HE ARG A 19 -11.045 -11.552 17.582 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -13.504 -9.105 17.145 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -14.821 -10.273 17.000 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -12.733 -13.050 17.392 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -14.388 -12.488 17.139 1.00 1.89 H new ATOM 314 N TYR A 20 -10.424 -6.386 17.980 1.00 0.02 N ATOM 315 CA TYR A 20 -11.436 -5.607 17.202 1.00 0.02 C ATOM 316 C TYR A 20 -11.523 -6.211 15.800 1.00 0.02 C ATOM 317 O TYR A 20 -10.524 -6.390 15.134 1.00 0.02 O ATOM 318 CB TYR A 20 -11.006 -4.138 17.110 1.00 0.02 C ATOM 319 CG TYR A 20 -11.920 -3.401 16.155 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.289 -3.301 16.437 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.404 -2.825 14.987 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.138 -2.626 15.552 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.256 -2.150 14.104 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.623 -2.051 14.387 1.00 0.02 C ATOM 325 OH TYR A 20 -14.461 -1.386 13.516 1.00 0.01 O ATOM 0 H TYR A 20 -9.547 -6.553 17.488 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.407 -5.652 17.695 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.044 -3.675 18.096 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -9.974 -4.071 16.766 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.689 -3.745 17.337 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.349 -2.901 14.767 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.193 -2.549 15.770 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.858 -1.705 13.204 1.00 0.02 H new ATOM 0 HH TYR A 20 -13.942 -1.046 12.758 1.00 0.01 H new ATOM 335 N ASP A 21 -12.710 -6.543 15.358 1.00 0.01 N ATOM 336 CA ASP A 21 -12.885 -7.159 14.006 1.00 0.02 C ATOM 337 C ASP A 21 -13.613 -6.183 13.086 1.00 0.00 C ATOM 338 O ASP A 21 -14.574 -5.546 13.473 1.00 0.01 O ATOM 339 CB ASP A 21 -13.727 -8.428 14.153 1.00 0.12 C ATOM 340 CG ASP A 21 -14.932 -8.139 15.050 1.00 0.41 C ATOM 341 OD1 ASP A 21 -14.736 -8.000 16.246 1.00 1.12 O ATOM 342 OD2 ASP A 21 -16.031 -8.059 14.524 1.00 0.56 O ATOM 0 H ASP A 21 -13.575 -6.412 15.882 1.00 0.01 H new ATOM 0 HA ASP A 21 -11.910 -7.397 13.581 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.063 -8.770 13.174 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -13.125 -9.229 14.581 1.00 0.12 H new ATOM 347 N CYS A 22 -13.151 -6.058 11.864 1.00 0.01 N ATOM 348 CA CYS A 22 -13.798 -5.119 10.897 1.00 0.00 C ATOM 349 C CYS A 22 -14.053 -5.845 9.574 1.00 0.02 C ATOM 350 O CYS A 22 -13.225 -6.594 9.090 1.00 0.01 O ATOM 351 CB CYS A 22 -12.873 -3.918 10.678 1.00 0.00 C ATOM 352 SG CYS A 22 -13.818 -2.548 9.966 1.00 0.02 S ATOM 0 H CYS A 22 -12.349 -6.569 11.495 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.752 -4.770 11.292 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.426 -3.612 11.624 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.054 -4.193 10.013 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.600 -2.490 8.686 1.00 0.02 H new ATOM 358 N ASP A 23 -15.208 -5.626 8.993 1.00 0.01 N ATOM 359 CA ASP A 23 -15.566 -6.291 7.700 1.00 0.02 C ATOM 360 C ASP A 23 -15.750 -5.229 6.618 1.00 0.00 C ATOM 361 O ASP A 23 -16.210 -5.511 5.529 1.00 0.02 O ATOM 362 CB ASP A 23 -16.874 -7.068 7.875 1.00 0.16 C ATOM 363 CG ASP A 23 -17.939 -6.147 8.472 1.00 0.17 C ATOM 364 OD1 ASP A 23 -17.845 -4.950 8.258 1.00 0.17 O ATOM 365 OD2 ASP A 23 -18.829 -6.655 9.133 1.00 0.20 O ATOM 0 H ASP A 23 -15.928 -5.006 9.365 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.769 -6.976 7.408 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.211 -7.455 6.913 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -16.715 -7.927 8.526 1.00 0.16 H new ATOM 370 N CYS A 24 -15.385 -4.010 6.904 1.00 0.01 N ATOM 371 CA CYS A 24 -15.526 -2.925 5.895 1.00 0.01 C ATOM 372 C CYS A 24 -14.571 -1.796 6.273 1.00 0.01 C ATOM 373 O CYS A 24 -13.935 -1.842 7.306 1.00 0.01 O ATOM 374 CB CYS A 24 -16.966 -2.408 5.887 1.00 0.62 C ATOM 375 SG CYS A 24 -17.392 -1.798 7.537 1.00 1.23 S ATOM 0 H CYS A 24 -14.993 -3.718 7.799 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.287 -3.302 4.900 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.074 -1.610 5.153 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.649 -3.205 5.594 1.00 0.62 H new ATOM 0 HG CYS A 24 -17.693 -2.802 8.306 1.00 1.23 H new ATOM 381 N ASP A 25 -14.448 -0.787 5.459 1.00 0.02 N ATOM 382 CA ASP A 25 -13.515 0.325 5.793 1.00 0.01 C ATOM 383 C ASP A 25 -13.932 0.993 7.107 1.00 0.02 C ATOM 384 O ASP A 25 -15.101 1.173 7.382 1.00 0.00 O ATOM 385 CB ASP A 25 -13.560 1.357 4.657 1.00 0.01 C ATOM 386 CG ASP A 25 -12.860 2.650 5.084 1.00 0.01 C ATOM 387 OD1 ASP A 25 -12.075 2.596 6.014 1.00 0.01 O ATOM 388 OD2 ASP A 25 -13.119 3.672 4.471 1.00 0.01 O ATOM 0 H ASP A 25 -14.952 -0.683 4.578 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.505 -0.069 5.909 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -13.077 0.951 3.768 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -14.595 1.568 4.389 1.00 0.01 H new ATOM 393 N CYS A 26 -12.967 1.383 7.907 1.00 0.01 N ATOM 394 CA CYS A 26 -13.269 2.072 9.201 1.00 0.01 C ATOM 395 C CYS A 26 -12.392 3.323 9.296 1.00 0.01 C ATOM 396 O CYS A 26 -11.178 3.244 9.309 1.00 0.01 O ATOM 397 CB CYS A 26 -12.974 1.135 10.374 1.00 0.01 C ATOM 398 SG CYS A 26 -13.470 1.931 11.922 1.00 0.02 S ATOM 0 H CYS A 26 -11.974 1.251 7.716 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.322 2.350 9.240 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.512 0.196 10.247 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -11.912 0.893 10.401 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.627 1.028 12.844 1.00 0.02 H new ATOM 404 N ALA A 27 -12.996 4.482 9.327 1.00 0.01 N ATOM 405 CA ALA A 27 -12.194 5.738 9.377 1.00 0.01 C ATOM 406 C ALA A 27 -11.636 5.976 10.780 1.00 0.01 C ATOM 407 O ALA A 27 -10.641 6.650 10.954 1.00 0.02 O ATOM 408 CB ALA A 27 -13.072 6.924 8.968 1.00 0.24 C ATOM 0 H ALA A 27 -14.008 4.612 9.320 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.358 5.639 8.685 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.485 7.841 9.005 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.442 6.770 7.954 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -13.916 7.006 9.653 1.00 0.24 H new ATOM 414 N ASP A 28 -12.262 5.431 11.785 1.00 0.01 N ATOM 415 CA ASP A 28 -11.755 5.631 13.173 1.00 0.02 C ATOM 416 C ASP A 28 -12.215 4.459 14.041 1.00 0.01 C ATOM 417 O ASP A 28 -13.353 4.396 14.463 1.00 0.02 O ATOM 418 CB ASP A 28 -12.310 6.940 13.742 1.00 0.67 C ATOM 419 CG ASP A 28 -11.547 7.307 15.017 1.00 0.90 C ATOM 420 OD1 ASP A 28 -11.922 6.818 16.068 1.00 0.87 O ATOM 421 OD2 ASP A 28 -10.601 8.071 14.919 1.00 1.14 O ATOM 0 H ASP A 28 -13.101 4.857 11.707 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.666 5.681 13.164 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.214 7.738 13.006 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.373 6.833 13.960 1.00 0.67 H new ATOM 426 N PHE A 29 -11.330 3.535 14.312 1.00 0.02 N ATOM 427 CA PHE A 29 -11.682 2.352 15.158 1.00 0.02 C ATOM 428 C PHE A 29 -11.082 2.528 16.559 1.00 0.00 C ATOM 429 O PHE A 29 -11.078 1.631 17.379 1.00 0.02 O ATOM 430 CB PHE A 29 -11.158 1.068 14.502 1.00 2.87 C ATOM 431 CG PHE A 29 -9.652 0.994 14.614 1.00 3.99 C ATOM 432 CD1 PHE A 29 -8.849 1.810 13.814 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.062 0.100 15.520 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.455 1.736 13.915 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.669 0.028 15.620 1.00 5.75 C ATOM 436 CZ PHE A 29 -6.867 0.843 14.819 1.00 6.37 C ATOM 0 H PHE A 29 -10.366 3.549 13.979 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.766 2.275 15.247 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.608 0.198 14.981 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.452 1.042 13.453 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.304 2.498 13.117 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -9.682 -0.531 16.139 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -6.834 2.367 13.297 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.213 -0.659 16.318 1.00 5.75 H new ATOM 0 HZ PHE A 29 -5.791 0.785 14.897 1.00 6.37 H new ATOM 446 N ARG A 30 -10.549 3.694 16.815 1.00 0.01 N ATOM 447 CA ARG A 30 -9.916 3.973 18.133 1.00 0.00 C ATOM 448 C ARG A 30 -10.921 3.771 19.270 1.00 0.01 C ATOM 449 O ARG A 30 -10.544 3.531 20.400 1.00 0.02 O ATOM 450 CB ARG A 30 -9.412 5.421 18.158 1.00 0.32 C ATOM 451 CG ARG A 30 -8.139 5.550 17.307 1.00 0.86 C ATOM 452 CD ARG A 30 -6.939 4.864 17.995 1.00 1.62 C ATOM 453 NE ARG A 30 -6.821 3.460 17.512 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.719 2.792 17.719 1.00 2.70 C ATOM 455 NH1 ARG A 30 -4.723 3.357 18.345 1.00 3.11 N ATOM 456 NH2 ARG A 30 -5.614 1.560 17.298 1.00 3.02 N ATOM 0 H ARG A 30 -10.526 4.473 16.157 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.084 3.283 18.273 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.184 6.090 17.776 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -9.206 5.725 19.184 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -8.306 5.102 16.327 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -7.914 6.604 17.141 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -6.022 5.412 17.779 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -7.071 4.877 19.077 1.00 1.62 H new ATOM 0 HE ARG A 30 -7.600 3.021 17.020 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -4.806 4.320 18.672 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -3.861 2.836 18.507 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -6.393 1.120 16.808 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -4.753 1.038 17.459 1.00 3.02 H new ATOM 470 N SER A 31 -12.195 3.879 18.999 1.00 0.02 N ATOM 471 CA SER A 31 -13.201 3.709 20.084 1.00 0.02 C ATOM 472 C SER A 31 -13.332 2.230 20.446 1.00 0.01 C ATOM 473 O SER A 31 -13.856 1.877 21.484 1.00 0.02 O ATOM 474 CB SER A 31 -14.551 4.235 19.601 1.00 0.37 C ATOM 475 OG SER A 31 -14.485 5.649 19.479 1.00 0.88 O ATOM 0 H SER A 31 -12.580 4.077 18.075 1.00 0.02 H new ATOM 0 HA SER A 31 -12.880 4.264 20.965 1.00 0.02 H new ATOM 0 HB2 SER A 31 -14.807 3.787 18.641 1.00 0.37 H new ATOM 0 HB3 SER A 31 -15.336 3.955 20.303 1.00 0.37 H new ATOM 0 HG SER A 31 -15.349 5.991 19.168 1.00 0.88 H new ATOM 481 N TYR A 32 -12.866 1.361 19.588 1.00 0.01 N ATOM 482 CA TYR A 32 -12.968 -0.106 19.856 1.00 0.01 C ATOM 483 C TYR A 32 -11.603 -0.640 20.283 1.00 0.02 C ATOM 484 O TYR A 32 -11.502 -1.673 20.913 1.00 0.02 O ATOM 485 CB TYR A 32 -13.403 -0.811 18.569 1.00 0.02 C ATOM 486 CG TYR A 32 -14.822 -0.419 18.236 1.00 0.02 C ATOM 487 CD1 TYR A 32 -15.072 0.742 17.495 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.890 -1.216 18.668 1.00 0.01 C ATOM 489 CE1 TYR A 32 -16.389 1.107 17.185 1.00 0.02 C ATOM 490 CE2 TYR A 32 -17.205 -0.851 18.358 1.00 0.00 C ATOM 491 CZ TYR A 32 -17.455 0.310 17.617 1.00 0.02 C ATOM 492 OH TYR A 32 -18.752 0.666 17.314 1.00 0.02 O ATOM 0 H TYR A 32 -12.416 1.606 18.706 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.694 -0.289 20.648 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.737 -0.539 17.750 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.332 -1.892 18.692 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -14.249 1.357 17.162 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -15.699 -2.112 19.240 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -16.581 2.003 16.613 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -18.028 -1.466 18.691 1.00 0.00 H new ATOM 0 HH TYR A 32 -19.369 0.003 17.689 1.00 0.02 H new ATOM 502 N LEU A 33 -10.546 0.044 19.934 1.00 0.02 N ATOM 503 CA LEU A 33 -9.184 -0.440 20.308 1.00 0.02 C ATOM 504 C LEU A 33 -8.250 0.769 20.484 1.00 0.02 C ATOM 505 O LEU A 33 -8.162 1.638 19.641 1.00 0.02 O ATOM 506 CB LEU A 33 -8.664 -1.342 19.166 1.00 1.66 C ATOM 507 CG LEU A 33 -7.862 -2.530 19.733 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.781 -3.466 20.555 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.234 -3.320 18.577 1.00 2.80 C ATOM 0 H LEU A 33 -10.566 0.917 19.406 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.218 -1.002 21.241 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.503 -1.711 18.577 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.034 -0.759 18.494 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.081 -2.143 20.387 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.196 -4.298 20.947 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.220 -2.910 21.383 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.575 -3.850 19.915 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.667 -4.160 18.977 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -8.021 -3.693 17.921 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.568 -2.669 18.011 1.00 2.80 H new ATOM 521 N SER A 34 -7.572 0.824 21.603 1.00 0.02 N ATOM 522 CA SER A 34 -6.657 1.969 21.887 1.00 0.02 C ATOM 523 C SER A 34 -5.268 1.736 21.279 1.00 0.00 C ATOM 524 O SER A 34 -4.446 2.628 21.249 1.00 0.01 O ATOM 525 CB SER A 34 -6.524 2.132 23.403 1.00 0.02 C ATOM 526 OG SER A 34 -5.513 1.255 23.881 1.00 0.02 O ATOM 0 H SER A 34 -7.615 0.118 22.338 1.00 0.02 H new ATOM 0 HA SER A 34 -7.078 2.869 21.439 1.00 0.02 H new ATOM 0 HB2 SER A 34 -6.273 3.164 23.649 1.00 0.02 H new ATOM 0 HB3 SER A 34 -7.474 1.910 23.889 1.00 0.02 H new ATOM 0 HG SER A 34 -5.423 1.357 24.851 1.00 0.02 H new ATOM 532 N ARG A 35 -4.994 0.554 20.797 1.00 0.02 N ATOM 533 CA ARG A 35 -3.660 0.271 20.192 1.00 0.01 C ATOM 534 C ARG A 35 -3.725 -1.111 19.547 1.00 0.02 C ATOM 535 O ARG A 35 -4.607 -1.893 19.838 1.00 0.02 O ATOM 536 CB ARG A 35 -2.581 0.280 21.280 1.00 0.02 C ATOM 537 CG ARG A 35 -2.952 -0.719 22.382 1.00 0.02 C ATOM 538 CD ARG A 35 -1.895 -0.678 23.491 1.00 0.02 C ATOM 539 NE ARG A 35 -2.005 -1.906 24.327 1.00 0.02 N ATOM 540 CZ ARG A 35 -1.033 -2.238 25.133 1.00 0.02 C ATOM 541 NH1 ARG A 35 0.034 -1.493 25.209 1.00 0.00 N ATOM 542 NH2 ARG A 35 -1.130 -3.315 25.860 1.00 0.02 N ATOM 0 H ARG A 35 -5.642 -0.234 20.796 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.411 1.030 19.451 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -1.614 0.019 20.849 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.483 1.281 21.701 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -3.933 -0.476 22.791 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -3.020 -1.725 21.967 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -0.898 -0.610 23.056 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -2.035 0.209 24.109 1.00 0.02 H new ATOM 0 HE ARG A 35 -2.841 -2.488 24.270 1.00 0.02 H new ATOM 0 HH11 ARG A 35 0.110 -0.651 24.639 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.793 -1.752 25.839 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.965 -3.898 25.799 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -0.371 -3.575 26.490 1.00 0.02 H new ATOM 556 N CYS A 36 -2.803 -1.435 18.677 1.00 0.02 N ATOM 557 CA CYS A 36 -2.819 -2.782 18.031 1.00 0.02 C ATOM 558 C CYS A 36 -1.376 -3.253 17.841 1.00 0.02 C ATOM 559 O CYS A 36 -0.625 -2.632 17.115 1.00 0.02 O ATOM 560 CB CYS A 36 -3.502 -2.678 16.670 1.00 0.02 C ATOM 561 SG CYS A 36 -2.854 -1.235 15.801 1.00 0.02 S ATOM 0 H CYS A 36 -2.039 -0.825 18.386 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.362 -3.491 18.656 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -3.322 -3.581 16.088 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -4.581 -2.590 16.795 1.00 0.02 H new ATOM 0 HG CYS A 36 -1.570 -1.156 15.989 1.00 0.02 H new ATOM 567 N ASN A 37 -0.962 -4.320 18.489 1.00 0.02 N ATOM 568 CA ASN A 37 0.458 -4.781 18.337 1.00 0.01 C ATOM 569 C ASN A 37 0.522 -6.049 17.488 1.00 0.02 C ATOM 570 O ASN A 37 1.575 -6.599 17.242 1.00 0.02 O ATOM 571 CB ASN A 37 1.057 -5.075 19.713 1.00 0.02 C ATOM 572 CG ASN A 37 0.806 -3.885 20.640 1.00 0.01 C ATOM 573 OD1 ASN A 37 -0.123 -3.128 20.437 1.00 0.03 O ATOM 574 ND2 ASN A 37 1.601 -3.686 21.657 1.00 0.02 N ATOM 0 H ASN A 37 -1.540 -4.886 19.110 1.00 0.02 H new ATOM 0 HA ASN A 37 1.025 -3.990 17.845 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.610 -5.977 20.131 1.00 0.02 H new ATOM 0 HB3 ASN A 37 2.127 -5.261 19.624 1.00 0.02 H new ATOM 0 HD21 ASN A 37 1.442 -2.895 22.281 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.380 -4.322 21.827 1.00 0.02 H new ATOM 581 N SER A 38 -0.608 -6.492 17.017 1.00 0.02 N ATOM 582 CA SER A 38 -0.659 -7.702 16.152 1.00 0.02 C ATOM 583 C SER A 38 -1.941 -7.622 15.325 1.00 0.01 C ATOM 584 O SER A 38 -2.895 -6.977 15.710 1.00 0.02 O ATOM 585 CB SER A 38 -0.650 -8.970 17.010 1.00 0.01 C ATOM 586 OG SER A 38 -1.431 -8.750 18.176 1.00 0.02 O ATOM 0 H SER A 38 -1.514 -6.060 17.198 1.00 0.02 H new ATOM 0 HA SER A 38 0.212 -7.743 15.498 1.00 0.02 H new ATOM 0 HB2 SER A 38 -1.050 -9.810 16.443 1.00 0.01 H new ATOM 0 HB3 SER A 38 0.372 -9.230 17.286 1.00 0.01 H new ATOM 0 HG SER A 38 -0.842 -8.684 18.957 1.00 0.02 H new ATOM 592 N ILE A 39 -1.968 -8.255 14.185 1.00 0.02 N ATOM 593 CA ILE A 39 -3.189 -8.192 13.323 1.00 0.02 C ATOM 594 C ILE A 39 -3.369 -9.517 12.584 1.00 0.02 C ATOM 595 O ILE A 39 -2.419 -10.175 12.217 1.00 0.02 O ATOM 596 CB ILE A 39 -3.012 -7.073 12.289 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.496 -5.806 12.984 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.356 -6.778 11.623 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.453 -4.647 11.982 1.00 0.00 C ATOM 0 H ILE A 39 -1.201 -8.813 13.811 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.062 -7.999 13.947 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.293 -7.389 11.533 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.144 -5.550 13.823 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.501 -5.983 13.392 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.231 -5.983 10.888 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.721 -7.677 11.126 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.075 -6.463 12.379 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.086 -3.749 12.480 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.787 -4.903 11.158 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.455 -4.463 11.595 1.00 0.00 H new ATOM 611 N ARG A 40 -4.602 -9.884 12.333 1.00 0.02 N ATOM 612 CA ARG A 40 -4.898 -11.138 11.576 1.00 0.02 C ATOM 613 C ARG A 40 -5.784 -10.774 10.383 1.00 0.01 C ATOM 614 O ARG A 40 -6.851 -10.214 10.552 1.00 0.02 O ATOM 615 CB ARG A 40 -5.625 -12.162 12.458 1.00 0.01 C ATOM 616 CG ARG A 40 -5.548 -13.546 11.813 1.00 0.02 C ATOM 617 CD ARG A 40 -6.265 -14.563 12.704 1.00 0.02 C ATOM 618 NE ARG A 40 -6.415 -15.848 11.967 1.00 0.02 N ATOM 619 CZ ARG A 40 -6.716 -16.939 12.618 1.00 0.02 C ATOM 620 NH1 ARG A 40 -6.886 -16.900 13.911 1.00 0.02 N ATOM 621 NH2 ARG A 40 -6.852 -18.066 11.975 1.00 0.02 N ATOM 0 H ARG A 40 -5.427 -9.360 12.625 1.00 0.02 H new ATOM 0 HA ARG A 40 -3.961 -11.587 11.246 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.174 -12.187 13.450 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.667 -11.869 12.589 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.007 -13.525 10.825 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.507 -13.837 11.675 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -5.699 -14.722 13.622 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -7.244 -14.182 12.995 1.00 0.02 H new ATOM 0 HE ARG A 40 -6.283 -15.876 10.956 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -6.784 -16.018 14.412 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -7.121 -17.752 14.420 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -6.723 -18.095 10.964 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -7.087 -18.918 12.484 1.00 0.02 H new ATOM 635 N VAL A 41 -5.390 -11.131 9.189 1.00 0.02 N ATOM 636 CA VAL A 41 -6.250 -10.861 7.999 1.00 0.01 C ATOM 637 C VAL A 41 -6.840 -12.201 7.571 1.00 0.02 C ATOM 638 O VAL A 41 -6.124 -13.105 7.194 1.00 0.02 O ATOM 639 CB VAL A 41 -5.423 -10.242 6.875 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.358 -9.808 5.740 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.697 -9.010 7.416 1.00 0.00 C ATOM 0 H VAL A 41 -4.507 -11.599 8.986 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.043 -10.152 8.237 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.702 -10.970 6.502 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.772 -9.365 4.935 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -6.898 -10.676 5.361 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.070 -9.074 6.116 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.103 -8.560 6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.428 -8.286 7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.042 -9.304 8.236 1.00 0.00 H new ATOM 651 N GLU A 42 -8.135 -12.344 7.670 1.00 0.01 N ATOM 652 CA GLU A 42 -8.780 -13.645 7.318 1.00 0.01 C ATOM 653 C GLU A 42 -9.002 -13.739 5.809 1.00 0.02 C ATOM 654 O GLU A 42 -8.919 -14.806 5.231 1.00 0.01 O ATOM 655 CB GLU A 42 -10.125 -13.766 8.056 1.00 0.99 C ATOM 656 CG GLU A 42 -10.022 -13.085 9.423 1.00 1.86 C ATOM 657 CD GLU A 42 -8.828 -13.649 10.193 1.00 3.10 C ATOM 658 OE1 GLU A 42 -8.468 -14.786 9.939 1.00 3.67 O ATOM 659 OE2 GLU A 42 -8.298 -12.937 11.029 1.00 3.81 O ATOM 0 H GLU A 42 -8.777 -11.614 7.980 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.124 -14.461 7.622 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.918 -13.304 7.467 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.390 -14.816 8.180 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -9.909 -12.008 9.296 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -10.940 -13.244 9.989 1.00 1.86 H new ATOM 666 N GLY A 43 -9.289 -12.650 5.163 1.00 0.01 N ATOM 667 CA GLY A 43 -9.520 -12.718 3.697 1.00 0.02 C ATOM 668 C GLY A 43 -9.431 -11.325 3.086 1.00 0.02 C ATOM 669 O GLY A 43 -9.731 -10.339 3.729 1.00 0.02 O ATOM 0 H GLY A 43 -9.374 -11.723 5.580 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -8.782 -13.374 3.235 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.500 -13.150 3.495 1.00 0.02 H new ATOM 673 N GLY A 44 -9.045 -11.238 1.845 1.00 0.00 N ATOM 674 CA GLY A 44 -8.962 -9.904 1.194 1.00 0.01 C ATOM 675 C GLY A 44 -7.638 -9.225 1.545 1.00 0.01 C ATOM 676 O GLY A 44 -6.875 -9.701 2.361 1.00 0.01 O ATOM 0 H GLY A 44 -8.785 -12.029 1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.047 -10.013 0.113 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -9.795 -9.281 1.518 1.00 0.01 H new ATOM 680 N THR A 45 -7.397 -8.086 0.955 1.00 0.01 N ATOM 681 CA THR A 45 -6.162 -7.299 1.251 1.00 0.00 C ATOM 682 C THR A 45 -6.602 -6.057 2.033 1.00 0.01 C ATOM 683 O THR A 45 -7.762 -5.699 2.013 1.00 0.01 O ATOM 684 CB THR A 45 -5.450 -6.917 -0.049 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.043 -8.103 -0.716 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.218 -6.065 0.275 1.00 1.48 C ATOM 0 H THR A 45 -8.016 -7.658 0.266 1.00 0.01 H new ATOM 0 HA THR A 45 -5.453 -7.882 1.838 1.00 0.00 H new ATOM 0 HB THR A 45 -6.125 -6.346 -0.687 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.587 -7.869 -1.551 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.710 -5.793 -0.650 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.528 -5.161 0.798 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.538 -6.635 0.908 1.00 1.48 H new ATOM 694 N TRP A 46 -5.717 -5.392 2.730 1.00 0.02 N ATOM 695 CA TRP A 46 -6.153 -4.183 3.505 1.00 0.01 C ATOM 696 C TRP A 46 -5.042 -3.130 3.570 1.00 0.01 C ATOM 697 O TRP A 46 -3.875 -3.442 3.676 1.00 0.01 O ATOM 698 CB TRP A 46 -6.507 -4.609 4.935 1.00 0.00 C ATOM 699 CG TRP A 46 -7.794 -5.367 4.938 1.00 0.01 C ATOM 700 CD1 TRP A 46 -7.932 -6.667 4.588 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.123 -4.900 5.313 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.261 -7.027 4.722 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.035 -5.973 5.165 1.00 0.01 C ATOM 704 CE3 TRP A 46 -9.618 -3.663 5.762 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.394 -5.821 5.454 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -10.986 -3.506 6.051 1.00 0.02 C ATOM 707 CH2 TRP A 46 -11.869 -4.585 5.899 1.00 0.01 C ATOM 0 H TRP A 46 -4.726 -5.625 2.799 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.016 -3.748 3.001 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -5.710 -5.228 5.347 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.591 -3.731 5.575 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.135 -7.317 4.258 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.625 -7.958 4.518 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -8.944 -2.828 5.886 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.072 -6.653 5.334 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.358 -2.551 6.391 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -12.917 -4.460 6.126 1.00 0.01 H new ATOM 718 N ALA A 47 -5.423 -1.876 3.579 1.00 0.01 N ATOM 719 CA ALA A 47 -4.436 -0.762 3.720 1.00 0.01 C ATOM 720 C ALA A 47 -4.672 -0.183 5.112 1.00 0.01 C ATOM 721 O ALA A 47 -5.791 0.101 5.490 1.00 0.01 O ATOM 722 CB ALA A 47 -4.674 0.305 2.647 1.00 0.24 C ATOM 0 H ALA A 47 -6.393 -1.573 3.493 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.411 -1.112 3.596 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -3.947 1.108 2.765 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.564 -0.142 1.659 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.681 0.709 2.753 1.00 0.24 H new ATOM 728 N VAL A 48 -3.619 0.009 5.873 1.00 0.01 N ATOM 729 CA VAL A 48 -3.764 0.592 7.245 1.00 0.02 C ATOM 730 C VAL A 48 -3.013 1.924 7.316 1.00 0.01 C ATOM 731 O VAL A 48 -1.957 2.077 6.728 1.00 0.01 O ATOM 732 CB VAL A 48 -3.204 -0.380 8.286 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.069 -1.640 8.325 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.768 -0.762 7.915 1.00 0.65 C ATOM 0 H VAL A 48 -2.662 -0.214 5.601 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.820 0.763 7.455 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.210 0.099 9.265 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.670 -2.332 9.066 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.091 -1.372 8.592 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.063 -2.116 7.344 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.372 -1.454 8.658 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.760 -1.238 6.935 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.149 0.134 7.888 1.00 0.65 H new ATOM 744 N TYR A 49 -3.560 2.893 8.010 1.00 0.01 N ATOM 745 CA TYR A 49 -2.898 4.233 8.106 1.00 0.01 C ATOM 746 C TYR A 49 -2.636 4.573 9.573 1.00 0.01 C ATOM 747 O TYR A 49 -3.396 4.242 10.469 1.00 0.02 O ATOM 748 CB TYR A 49 -3.810 5.280 7.470 1.00 0.01 C ATOM 749 CG TYR A 49 -4.270 4.769 6.121 1.00 0.00 C ATOM 750 CD1 TYR A 49 -5.235 3.754 6.048 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.734 5.307 4.943 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.659 3.279 4.801 1.00 0.01 C ATOM 753 CE2 TYR A 49 -4.160 4.830 3.697 1.00 0.01 C ATOM 754 CZ TYR A 49 -5.120 3.816 3.627 1.00 0.02 C ATOM 755 OH TYR A 49 -5.538 3.345 2.399 1.00 0.01 O ATOM 0 H TYR A 49 -4.441 2.813 8.517 1.00 0.01 H new ATOM 0 HA TYR A 49 -1.944 4.218 7.579 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.668 5.474 8.113 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.278 6.224 7.355 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.651 3.339 6.954 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.992 6.090 4.996 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -6.403 2.498 4.745 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.747 5.246 2.790 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.769 3.278 1.795 1.00 0.01 H new ATOM 765 N GLU A 50 -1.517 5.215 9.805 1.00 0.01 N ATOM 766 CA GLU A 50 -1.085 5.573 11.187 1.00 0.01 C ATOM 767 C GLU A 50 -2.037 6.583 11.835 1.00 0.01 C ATOM 768 O GLU A 50 -2.263 6.535 13.026 1.00 0.02 O ATOM 769 CB GLU A 50 0.331 6.182 11.100 1.00 0.02 C ATOM 770 CG GLU A 50 1.120 5.891 12.388 1.00 0.01 C ATOM 771 CD GLU A 50 1.706 4.476 12.332 1.00 0.02 C ATOM 772 OE1 GLU A 50 2.140 4.076 11.263 1.00 0.01 O ATOM 773 OE2 GLU A 50 1.714 3.818 13.358 1.00 0.02 O ATOM 0 H GLU A 50 -0.871 5.512 9.074 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.092 4.675 11.805 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.859 5.769 10.241 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.262 7.259 10.944 1.00 0.02 H new ATOM 0 HG2 GLU A 50 1.921 6.621 12.507 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.467 5.990 13.255 1.00 0.01 H new ATOM 780 N ARG A 51 -2.575 7.515 11.082 1.00 0.02 N ATOM 781 CA ARG A 51 -3.484 8.548 11.687 1.00 0.02 C ATOM 782 C ARG A 51 -4.848 8.510 10.969 1.00 0.01 C ATOM 783 O ARG A 51 -4.922 8.126 9.814 1.00 0.02 O ATOM 784 CB ARG A 51 -2.830 9.921 11.452 1.00 0.02 C ATOM 785 CG ARG A 51 -1.453 9.973 12.127 1.00 0.01 C ATOM 786 CD ARG A 51 -1.588 9.811 13.647 1.00 0.02 C ATOM 787 NE ARG A 51 -2.814 10.511 14.131 1.00 0.02 N ATOM 788 CZ ARG A 51 -3.293 10.244 15.316 1.00 0.02 C ATOM 789 NH1 ARG A 51 -2.701 9.364 16.076 1.00 0.02 N ATOM 790 NH2 ARG A 51 -4.360 10.861 15.742 1.00 0.01 N ATOM 0 H ARG A 51 -2.426 7.607 10.077 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.635 8.360 12.750 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.726 10.105 10.383 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.469 10.709 11.850 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -0.816 9.184 11.727 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -0.966 10.921 11.899 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.638 8.753 13.905 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.707 10.218 14.144 1.00 0.02 H new ATOM 0 HE ARG A 51 -3.278 11.198 13.536 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -1.864 8.885 15.744 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -3.075 9.156 17.002 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -4.820 11.552 15.150 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -4.734 10.653 16.668 1.00 0.01 H new ATOM 804 N PRO A 52 -5.924 8.913 11.636 1.00 0.02 N ATOM 805 CA PRO A 52 -7.276 8.906 11.004 1.00 0.02 C ATOM 806 C PRO A 52 -7.299 9.613 9.645 1.00 0.01 C ATOM 807 O PRO A 52 -6.391 10.327 9.268 1.00 0.02 O ATOM 808 CB PRO A 52 -8.149 9.647 12.042 1.00 0.02 C ATOM 809 CG PRO A 52 -7.282 9.971 13.275 1.00 0.01 C ATOM 810 CD PRO A 52 -5.877 9.383 13.056 1.00 0.01 C ATOM 0 HA PRO A 52 -7.624 7.897 10.782 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.552 10.564 11.612 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -9.000 9.030 12.330 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.222 11.049 13.422 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.732 9.551 14.175 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.099 10.131 13.208 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.671 8.564 13.745 1.00 0.01 H new ATOM 818 N ASN A 53 -8.379 9.423 8.939 1.00 0.02 N ATOM 819 CA ASN A 53 -8.566 10.077 7.616 1.00 0.02 C ATOM 820 C ASN A 53 -7.513 9.602 6.617 1.00 0.01 C ATOM 821 O ASN A 53 -7.041 10.346 5.780 1.00 0.01 O ATOM 822 CB ASN A 53 -8.481 11.598 7.783 1.00 0.01 C ATOM 823 CG ASN A 53 -9.078 12.285 6.551 1.00 0.02 C ATOM 824 OD1 ASN A 53 -8.976 11.779 5.451 1.00 0.02 O ATOM 825 ND2 ASN A 53 -9.702 13.424 6.692 1.00 0.01 N ATOM 0 H ASN A 53 -9.155 8.829 9.231 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.547 9.804 7.228 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -9.019 11.906 8.680 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -7.442 11.902 7.914 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -10.104 13.889 5.878 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -9.787 13.848 7.616 1.00 0.01 H new ATOM 832 N PHE A 54 -7.168 8.346 6.695 1.00 0.02 N ATOM 833 CA PHE A 54 -6.173 7.764 5.755 1.00 0.01 C ATOM 834 C PHE A 54 -4.966 8.691 5.595 1.00 0.01 C ATOM 835 O PHE A 54 -4.576 9.047 4.502 1.00 0.02 O ATOM 836 CB PHE A 54 -6.850 7.523 4.394 1.00 1.78 C ATOM 837 CG PHE A 54 -8.311 7.180 4.603 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.687 6.295 5.621 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.289 7.750 3.777 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.038 5.978 5.810 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.639 7.432 3.968 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.014 6.546 4.985 1.00 3.39 C ATOM 0 H PHE A 54 -7.540 7.690 7.382 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.812 6.817 6.157 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -6.761 8.413 3.770 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.348 6.712 3.866 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.935 5.857 6.260 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.001 8.435 2.993 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.327 5.294 6.594 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.392 7.871 3.330 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.056 6.301 5.132 1.00 3.39 H new ATOM 852 N SER A 55 -4.376 9.076 6.704 1.00 0.02 N ATOM 853 CA SER A 55 -3.180 9.982 6.670 1.00 0.02 C ATOM 854 C SER A 55 -2.030 9.356 7.465 1.00 0.01 C ATOM 855 O SER A 55 -2.226 8.440 8.239 1.00 0.01 O ATOM 856 CB SER A 55 -3.552 11.327 7.299 1.00 1.90 C ATOM 857 OG SER A 55 -4.811 11.749 6.793 1.00 2.33 O ATOM 0 H SER A 55 -4.674 8.799 7.639 1.00 0.02 H new ATOM 0 HA SER A 55 -2.866 10.127 5.636 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.596 11.234 8.384 1.00 1.90 H new ATOM 0 HB3 SER A 55 -2.788 12.071 7.073 1.00 1.90 H new ATOM 0 HG SER A 55 -5.053 12.609 7.195 1.00 2.33 H new ATOM 863 N GLY A 56 -0.828 9.841 7.276 1.00 0.02 N ATOM 864 CA GLY A 56 0.341 9.275 8.015 1.00 0.02 C ATOM 865 C GLY A 56 0.936 8.094 7.237 1.00 0.02 C ATOM 866 O GLY A 56 0.710 7.943 6.053 1.00 0.00 O ATOM 0 H GLY A 56 -0.606 10.607 6.640 1.00 0.02 H new ATOM 0 HA2 GLY A 56 1.099 10.045 8.157 1.00 0.02 H new ATOM 0 HA3 GLY A 56 0.030 8.947 9.007 1.00 0.02 H new ATOM 870 N HIS A 57 1.712 7.265 7.885 1.00 0.02 N ATOM 871 CA HIS A 57 2.338 6.110 7.170 1.00 0.02 C ATOM 872 C HIS A 57 1.256 5.152 6.670 1.00 0.01 C ATOM 873 O HIS A 57 0.300 4.871 7.367 1.00 0.01 O ATOM 874 CB HIS A 57 3.274 5.369 8.128 1.00 0.00 C ATOM 875 CG HIS A 57 4.095 6.368 8.899 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.824 6.018 10.025 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.311 7.713 8.715 1.00 0.01 C ATOM 878 CE1 HIS A 57 5.439 7.129 10.471 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.160 8.190 9.710 1.00 0.01 N ATOM 0 H HIS A 57 1.940 7.336 8.877 1.00 0.02 H new ATOM 0 HA HIS A 57 2.904 6.482 6.316 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.695 4.751 8.814 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.927 4.699 7.570 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.887 8.309 7.920 1.00 0.01 H new ATOM 0 HE1 HIS A 57 6.081 7.159 11.339 1.00 0.02 H new ATOM 0 HE2 HIS A 57 5.497 9.145 9.832 1.00 0.01 H new ATOM 887 N MET A 58 1.407 4.646 5.465 1.00 0.02 N ATOM 888 CA MET A 58 0.400 3.693 4.894 1.00 0.02 C ATOM 889 C MET A 58 1.083 2.356 4.561 1.00 0.01 C ATOM 890 O MET A 58 2.158 2.313 3.985 1.00 0.01 O ATOM 891 CB MET A 58 -0.202 4.314 3.621 1.00 2.61 C ATOM 892 CG MET A 58 -0.278 5.836 3.784 1.00 3.46 C ATOM 893 SD MET A 58 -1.410 6.528 2.553 1.00 4.50 S ATOM 894 CE MET A 58 -0.676 5.751 1.095 1.00 5.01 C ATOM 0 H MET A 58 2.192 4.856 4.849 1.00 0.02 H new ATOM 0 HA MET A 58 -0.392 3.507 5.619 1.00 0.02 H new ATOM 0 HB2 MET A 58 0.409 4.060 2.755 1.00 2.61 H new ATOM 0 HB3 MET A 58 -1.197 3.907 3.440 1.00 2.61 H new ATOM 0 HG2 MET A 58 -0.620 6.087 4.788 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.713 6.274 3.667 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.032 6.254 0.196 1.00 5.01 H new ATOM 0 HE2 MET A 58 0.410 5.830 1.149 1.00 5.01 H new ATOM 0 HE3 MET A 58 -0.962 4.700 1.060 1.00 5.01 H new ATOM 904 N TYR A 59 0.461 1.263 4.932 1.00 0.02 N ATOM 905 CA TYR A 59 1.038 -0.094 4.666 1.00 0.01 C ATOM 906 C TYR A 59 -0.055 -1.017 4.107 1.00 0.01 C ATOM 907 O TYR A 59 -1.180 -1.024 4.567 1.00 0.02 O ATOM 908 CB TYR A 59 1.560 -0.697 5.971 1.00 0.01 C ATOM 909 CG TYR A 59 2.816 0.026 6.398 1.00 0.01 C ATOM 910 CD1 TYR A 59 4.056 -0.357 5.872 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.742 1.072 7.325 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.221 0.307 6.273 1.00 0.02 C ATOM 913 CE2 TYR A 59 3.907 1.738 7.726 1.00 0.01 C ATOM 914 CZ TYR A 59 5.148 1.354 7.200 1.00 0.01 C ATOM 915 OH TYR A 59 6.297 2.008 7.593 1.00 0.01 O ATOM 0 H TYR A 59 -0.437 1.253 5.416 1.00 0.02 H new ATOM 0 HA TYR A 59 1.852 0.003 3.947 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.801 -0.618 6.749 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.768 -1.758 5.835 1.00 0.01 H new ATOM 0 HD1 TYR A 59 4.113 -1.165 5.157 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.786 1.366 7.732 1.00 0.01 H new ATOM 0 HE1 TYR A 59 6.177 0.012 5.867 1.00 0.02 H new ATOM 0 HE2 TYR A 59 3.849 2.547 8.440 1.00 0.01 H new ATOM 0 HH TYR A 59 6.070 2.709 8.239 1.00 0.01 H new ATOM 925 N ILE A 60 0.290 -1.816 3.126 1.00 0.02 N ATOM 926 CA ILE A 60 -0.699 -2.772 2.535 1.00 0.01 C ATOM 927 C ILE A 60 -0.497 -4.150 3.182 1.00 0.01 C ATOM 928 O ILE A 60 0.615 -4.616 3.328 1.00 0.01 O ATOM 929 CB ILE A 60 -0.502 -2.865 1.012 1.00 0.45 C ATOM 930 CG1 ILE A 60 -1.100 -1.620 0.340 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.221 -4.115 0.472 1.00 1.21 C ATOM 932 CD1 ILE A 60 -0.488 -0.350 0.932 1.00 1.72 C ATOM 0 H ILE A 60 1.219 -1.847 2.707 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.713 -2.420 2.727 1.00 0.01 H new ATOM 0 HB ILE A 60 0.564 -2.929 0.794 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -0.915 -1.654 -0.734 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -2.181 -1.609 0.477 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.080 -4.178 -0.607 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.807 -5.006 0.945 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.286 -4.047 0.695 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -0.922 0.524 0.446 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.695 -0.310 2.001 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.590 -0.357 0.772 1.00 1.72 H new ATOM 944 N LEU A 61 -1.566 -4.789 3.585 1.00 0.01 N ATOM 945 CA LEU A 61 -1.459 -6.135 4.246 1.00 0.01 C ATOM 946 C LEU A 61 -2.251 -7.202 3.442 1.00 0.01 C ATOM 947 O LEU A 61 -3.462 -7.139 3.393 1.00 0.00 O ATOM 948 CB LEU A 61 -2.069 -6.027 5.663 1.00 0.01 C ATOM 949 CG LEU A 61 -0.986 -5.687 6.702 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.662 -5.421 8.051 1.00 0.01 C ATOM 951 CD2 LEU A 61 0.020 -6.858 6.845 1.00 0.01 C ATOM 0 H LEU A 61 -2.518 -4.437 3.486 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.412 -6.434 4.290 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.842 -5.259 5.673 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.551 -6.968 5.929 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.439 -4.803 6.374 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.904 -5.179 8.796 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.354 -4.585 7.952 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.209 -6.310 8.365 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.778 -6.598 7.584 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -0.509 -7.755 7.167 1.00 0.01 H new ATOM 0 HD23 LEU A 61 0.499 -7.045 5.884 1.00 0.01 H new ATOM 963 N PRO A 62 -1.608 -8.193 2.835 1.00 0.02 N ATOM 964 CA PRO A 62 -2.369 -9.249 2.103 1.00 0.01 C ATOM 965 C PRO A 62 -2.979 -10.249 3.099 1.00 0.00 C ATOM 966 O PRO A 62 -2.653 -10.237 4.269 1.00 0.02 O ATOM 967 CB PRO A 62 -1.277 -9.898 1.239 1.00 1.47 C ATOM 968 CG PRO A 62 0.087 -9.529 1.851 1.00 1.29 C ATOM 969 CD PRO A 62 -0.120 -8.338 2.807 1.00 0.82 C ATOM 0 HA PRO A 62 -3.209 -8.876 1.516 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.404 -10.980 1.212 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.343 -9.544 0.210 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.505 -10.380 2.389 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.797 -9.268 1.067 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.286 -8.539 3.798 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.368 -7.435 2.440 1.00 0.82 H new ATOM 977 N GLN A 63 -3.859 -11.108 2.660 1.00 0.02 N ATOM 978 CA GLN A 63 -4.475 -12.089 3.603 1.00 0.00 C ATOM 979 C GLN A 63 -3.383 -12.855 4.355 1.00 0.00 C ATOM 980 O GLN A 63 -2.364 -13.203 3.791 1.00 0.02 O ATOM 981 CB GLN A 63 -5.327 -13.083 2.810 1.00 1.27 C ATOM 982 CG GLN A 63 -4.447 -13.811 1.791 1.00 1.67 C ATOM 983 CD GLN A 63 -5.330 -14.651 0.867 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.141 -14.654 -0.334 1.00 4.25 O ATOM 985 NE2 GLN A 63 -6.291 -15.370 1.378 1.00 3.04 N ATOM 0 H GLN A 63 -4.178 -11.174 1.693 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.095 -11.552 4.321 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.790 -13.802 3.486 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -6.135 -12.559 2.300 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.874 -13.090 1.208 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -3.728 -14.449 2.305 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -6.449 -15.367 2.386 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -6.884 -15.935 0.770 1.00 3.04 H new ATOM 994 N GLY A 64 -3.577 -13.131 5.623 1.00 0.02 N ATOM 995 CA GLY A 64 -2.533 -13.886 6.377 1.00 0.01 C ATOM 996 C GLY A 64 -2.624 -13.580 7.874 1.00 0.02 C ATOM 997 O GLY A 64 -3.494 -12.863 8.328 1.00 0.02 O ATOM 0 H GLY A 64 -4.403 -12.869 6.161 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.659 -14.956 6.211 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.544 -13.619 6.005 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.718 -14.124 8.646 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.720 -13.886 10.125 1.00 0.02 C ATOM 1003 C GLU A 65 -0.409 -13.213 10.533 1.00 0.02 C ATOM 1004 O GLU A 65 0.667 -13.658 10.189 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.844 -15.230 10.848 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.777 -15.003 12.361 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.299 -16.243 13.088 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -2.578 -17.222 12.418 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -2.412 -16.190 14.301 1.00 0.71 O ATOM 0 H GLU A 65 -0.968 -14.730 8.313 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.558 -13.243 10.393 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.785 -15.712 10.583 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -1.043 -15.899 10.534 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -0.750 -14.797 12.663 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.371 -14.131 12.635 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.505 -12.147 11.286 1.00 0.02 N ATOM 1017 CA TYR A 66 0.711 -11.421 11.761 1.00 0.02 C ATOM 1018 C TYR A 66 0.682 -11.418 13.301 1.00 0.02 C ATOM 1019 O TYR A 66 -0.026 -10.624 13.890 1.00 0.02 O ATOM 1020 CB TYR A 66 0.649 -9.981 11.243 1.00 0.01 C ATOM 1021 CG TYR A 66 0.682 -10.007 9.731 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.462 -10.375 9.012 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.857 -9.672 9.049 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.429 -10.405 7.611 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.891 -9.703 7.650 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.747 -10.069 6.930 1.00 0.02 C ATOM 1027 OH TYR A 66 0.782 -10.102 5.551 1.00 0.01 O ATOM 0 H TYR A 66 -1.389 -11.743 11.596 1.00 0.02 H new ATOM 0 HA TYR A 66 1.623 -11.897 11.402 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.261 -9.493 11.593 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.489 -9.404 11.629 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.369 -10.636 9.537 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.740 -9.389 9.603 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.312 -10.688 7.056 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.799 -9.445 7.126 1.00 0.02 H new ATOM 0 HH TYR A 66 1.674 -9.840 5.240 1.00 0.01 H new ATOM 1037 N PRO A 67 1.401 -12.309 13.964 1.00 0.01 N ATOM 1038 CA PRO A 67 1.362 -12.360 15.454 1.00 0.02 C ATOM 1039 C PRO A 67 2.053 -11.167 16.134 1.00 0.02 C ATOM 1040 O PRO A 67 2.023 -11.051 17.342 1.00 0.02 O ATOM 1041 CB PRO A 67 2.088 -13.686 15.770 1.00 0.02 C ATOM 1042 CG PRO A 67 2.736 -14.207 14.472 1.00 0.02 C ATOM 1043 CD PRO A 67 2.281 -13.316 13.301 1.00 0.01 C ATOM 0 HA PRO A 67 0.342 -12.308 15.834 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.847 -13.530 16.537 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.384 -14.419 16.163 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.822 -14.191 14.559 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.446 -15.242 14.294 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.127 -12.845 12.801 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.742 -13.887 12.546 1.00 0.01 H new ATOM 1051 N GLU A 68 2.656 -10.274 15.395 1.00 0.01 N ATOM 1052 CA GLU A 68 3.316 -9.103 16.051 1.00 0.01 C ATOM 1053 C GLU A 68 3.425 -7.978 15.022 1.00 0.03 C ATOM 1054 O GLU A 68 3.409 -8.198 13.829 1.00 0.02 O ATOM 1055 CB GLU A 68 4.725 -9.480 16.522 1.00 0.69 C ATOM 1056 CG GLU A 68 4.647 -10.495 17.666 1.00 1.09 C ATOM 1057 CD GLU A 68 6.011 -10.605 18.350 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.867 -9.783 18.064 1.00 2.02 O ATOM 1059 OE2 GLU A 68 6.177 -11.512 19.150 1.00 1.55 O ATOM 0 H GLU A 68 2.721 -10.301 14.377 1.00 0.01 H new ATOM 0 HA GLU A 68 2.727 -8.789 16.913 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.293 -9.900 15.692 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.256 -8.588 16.853 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.891 -10.187 18.388 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.342 -11.468 17.282 1.00 1.09 H new ATOM 1066 N TYR A 69 3.492 -6.762 15.492 1.00 0.02 N ATOM 1067 CA TYR A 69 3.541 -5.599 14.564 1.00 0.02 C ATOM 1068 C TYR A 69 4.769 -5.651 13.651 1.00 0.01 C ATOM 1069 O TYR A 69 4.699 -5.321 12.485 1.00 0.01 O ATOM 1070 CB TYR A 69 3.514 -4.297 15.368 1.00 0.02 C ATOM 1071 CG TYR A 69 4.794 -4.151 16.154 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.969 -4.863 17.346 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.806 -3.298 15.694 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.155 -4.723 18.076 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.992 -3.159 16.424 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.166 -3.871 17.617 1.00 0.02 C ATOM 1077 OH TYR A 69 8.333 -3.734 18.338 1.00 0.01 O ATOM 0 H TYR A 69 3.515 -6.524 16.484 1.00 0.02 H new ATOM 0 HA TYR A 69 2.663 -5.640 13.919 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.391 -3.447 14.696 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.659 -4.295 16.045 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.189 -5.520 17.702 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.671 -2.747 14.775 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.290 -5.274 18.995 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.772 -2.503 16.067 1.00 0.02 H new ATOM 0 HH TYR A 69 8.929 -3.106 17.879 1.00 0.01 H new ATOM 1087 N GLN A 70 5.896 -6.061 14.170 1.00 0.01 N ATOM 1088 CA GLN A 70 7.127 -6.138 13.330 1.00 0.02 C ATOM 1089 C GLN A 70 6.905 -7.096 12.152 1.00 0.01 C ATOM 1090 O GLN A 70 7.550 -7.002 11.128 1.00 0.02 O ATOM 1091 CB GLN A 70 8.288 -6.657 14.181 1.00 0.01 C ATOM 1092 CG GLN A 70 8.394 -5.834 15.466 1.00 0.01 C ATOM 1093 CD GLN A 70 9.512 -6.396 16.345 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.673 -6.140 16.109 1.00 0.01 O ATOM 1095 NE2 GLN A 70 9.206 -7.154 17.359 1.00 0.02 N ATOM 0 H GLN A 70 6.017 -6.347 15.142 1.00 0.01 H new ATOM 0 HA GLN A 70 7.357 -5.144 12.947 1.00 0.02 H new ATOM 0 HB2 GLN A 70 8.133 -7.708 14.423 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.220 -6.594 13.619 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.597 -4.790 15.226 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.447 -5.859 16.005 1.00 0.01 H new ATOM 0 HE21 GLN A 70 8.229 -7.370 17.558 1.00 0.02 H new ATOM 0 HE22 GLN A 70 9.943 -7.532 17.954 1.00 0.02 H new ATOM 1104 N ARG A 71 5.981 -8.010 12.299 1.00 0.01 N ATOM 1105 CA ARG A 71 5.700 -8.971 11.194 1.00 0.02 C ATOM 1106 C ARG A 71 5.014 -8.218 10.055 1.00 0.01 C ATOM 1107 O ARG A 71 4.973 -8.660 8.926 1.00 0.02 O ATOM 1108 CB ARG A 71 4.786 -10.093 11.698 1.00 0.34 C ATOM 1109 CG ARG A 71 4.782 -11.262 10.695 1.00 0.72 C ATOM 1110 CD ARG A 71 6.021 -12.162 10.903 1.00 1.04 C ATOM 1111 NE ARG A 71 6.614 -12.527 9.574 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.864 -12.950 8.587 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.594 -13.184 8.773 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.400 -13.178 7.421 1.00 3.42 N ATOM 0 H ARG A 71 5.410 -8.131 13.136 1.00 0.01 H new ATOM 0 HA ARG A 71 6.632 -9.412 10.841 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.128 -10.441 12.673 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.773 -9.715 11.832 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.873 -11.851 10.819 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.774 -10.874 9.676 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.761 -11.642 11.511 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.739 -13.064 11.446 1.00 1.04 H new ATOM 0 HE ARG A 71 7.621 -12.444 9.436 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.178 -13.038 9.693 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.017 -13.513 7.999 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.399 -13.027 7.281 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.821 -13.508 6.649 1.00 3.42 H new ATOM 1128 N TRP A 72 4.477 -7.071 10.368 1.00 0.02 N ATOM 1129 CA TRP A 72 3.776 -6.232 9.353 1.00 0.01 C ATOM 1130 C TRP A 72 4.689 -5.039 9.043 1.00 0.01 C ATOM 1131 O TRP A 72 4.303 -4.086 8.395 1.00 0.02 O ATOM 1132 CB TRP A 72 2.429 -5.792 9.977 1.00 0.02 C ATOM 1133 CG TRP A 72 1.978 -4.453 9.475 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.696 -4.149 8.187 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.738 -3.239 10.246 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.305 -2.821 8.119 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.315 -2.220 9.363 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.848 -2.927 11.614 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 1.012 -0.936 9.820 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.544 -1.636 12.077 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.127 -0.642 11.181 1.00 0.02 C ATOM 0 H TRP A 72 4.495 -6.671 11.306 1.00 0.02 H new ATOM 0 HA TRP A 72 3.570 -6.760 8.422 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.666 -6.537 9.752 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.529 -5.756 11.062 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.764 -4.829 7.350 1.00 0.01 H new ATOM 0 HE1 TRP A 72 1.042 -2.345 7.256 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.168 -3.686 12.313 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.690 -0.174 9.125 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.632 -1.408 13.129 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.895 0.349 11.542 1.00 0.02 H new ATOM 1152 N MET A 73 5.901 -5.105 9.523 1.00 0.02 N ATOM 1153 CA MET A 73 6.885 -4.006 9.297 1.00 0.02 C ATOM 1154 C MET A 73 6.349 -2.689 9.873 1.00 0.01 C ATOM 1155 O MET A 73 6.749 -1.611 9.476 1.00 0.02 O ATOM 1156 CB MET A 73 7.162 -3.843 7.798 1.00 0.02 C ATOM 1157 CG MET A 73 7.690 -5.162 7.217 1.00 0.01 C ATOM 1158 SD MET A 73 6.308 -6.291 6.920 1.00 0.01 S ATOM 1159 CE MET A 73 5.910 -5.730 5.246 1.00 0.01 C ATOM 0 H MET A 73 6.257 -5.887 10.072 1.00 0.02 H new ATOM 0 HA MET A 73 7.815 -4.263 9.804 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.249 -3.548 7.281 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.890 -3.048 7.638 1.00 0.02 H new ATOM 0 HG2 MET A 73 8.225 -4.973 6.286 1.00 0.01 H new ATOM 0 HG3 MET A 73 8.402 -5.616 7.907 1.00 0.01 H new ATOM 0 HE1 MET A 73 5.068 -6.304 4.861 1.00 0.01 H new ATOM 0 HE2 MET A 73 5.648 -4.672 5.269 1.00 0.01 H new ATOM 0 HE3 MET A 73 6.775 -5.875 4.598 1.00 0.01 H new ATOM 1169 N GLY A 74 5.441 -2.781 10.812 1.00 0.02 N ATOM 1170 CA GLY A 74 4.873 -1.549 11.424 1.00 0.02 C ATOM 1171 C GLY A 74 5.996 -0.751 12.081 1.00 0.01 C ATOM 1172 O GLY A 74 6.912 -1.308 12.650 1.00 0.01 O ATOM 0 H GLY A 74 5.071 -3.658 11.179 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.379 -0.945 10.663 1.00 0.02 H new ATOM 0 HA3 GLY A 74 4.116 -1.811 12.164 1.00 0.02 H new ATOM 1176 N LEU A 75 5.914 0.551 12.043 1.00 0.02 N ATOM 1177 CA LEU A 75 6.963 1.372 12.710 1.00 0.02 C ATOM 1178 C LEU A 75 6.662 1.378 14.216 1.00 0.01 C ATOM 1179 O LEU A 75 7.550 1.451 15.042 1.00 0.02 O ATOM 1180 CB LEU A 75 6.941 2.800 12.147 1.00 0.55 C ATOM 1181 CG LEU A 75 8.123 3.614 12.706 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.413 3.288 11.938 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.828 5.111 12.567 1.00 0.42 C ATOM 0 H LEU A 75 5.172 1.078 11.583 1.00 0.02 H new ATOM 0 HA LEU A 75 7.955 0.957 12.530 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.994 2.770 11.059 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.001 3.286 12.407 1.00 0.55 H new ATOM 0 HG LEU A 75 8.255 3.354 13.756 1.00 0.58 H new ATOM 0 HD11 LEU A 75 10.237 3.872 12.347 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.637 2.226 12.037 1.00 0.98 H new ATOM 0 HD13 LEU A 75 9.281 3.534 10.884 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.666 5.685 12.963 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.684 5.357 11.515 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.924 5.357 13.124 1.00 0.42 H new ATOM 1195 N ASN A 76 5.405 1.267 14.570 1.00 0.01 N ATOM 1196 CA ASN A 76 4.989 1.224 15.997 1.00 0.02 C ATOM 1197 C ASN A 76 3.615 0.544 16.033 1.00 0.02 C ATOM 1198 O ASN A 76 3.168 0.011 15.038 1.00 0.02 O ATOM 1199 CB ASN A 76 4.898 2.645 16.563 1.00 0.02 C ATOM 1200 CG ASN A 76 4.286 3.578 15.516 1.00 0.02 C ATOM 1201 OD1 ASN A 76 4.313 4.782 15.672 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.731 3.074 14.451 1.00 0.02 N ATOM 0 H ASN A 76 4.633 1.203 13.907 1.00 0.01 H new ATOM 0 HA ASN A 76 5.711 0.676 16.603 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.290 2.648 17.467 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.890 2.999 16.845 1.00 0.02 H new ATOM 0 HD21 ASN A 76 3.320 3.690 13.750 1.00 0.02 H new ATOM 0 HD22 ASN A 76 3.707 2.063 14.318 1.00 0.02 H new ATOM 1209 N ASP A 77 2.940 0.537 17.153 1.00 0.01 N ATOM 1210 CA ASP A 77 1.601 -0.135 17.214 1.00 0.01 C ATOM 1211 C ASP A 77 0.483 0.898 17.061 1.00 0.01 C ATOM 1212 O ASP A 77 -0.604 0.716 17.585 1.00 0.01 O ATOM 1213 CB ASP A 77 1.449 -0.831 18.569 1.00 0.01 C ATOM 1214 CG ASP A 77 2.457 -1.975 18.671 1.00 0.01 C ATOM 1215 OD1 ASP A 77 2.888 -2.453 17.634 1.00 0.02 O ATOM 1216 OD2 ASP A 77 2.780 -2.356 19.784 1.00 0.01 O ATOM 0 H ASP A 77 3.253 0.964 18.025 1.00 0.01 H new ATOM 0 HA ASP A 77 1.533 -0.862 16.405 1.00 0.01 H new ATOM 0 HB2 ASP A 77 1.610 -0.117 19.377 1.00 0.01 H new ATOM 0 HB3 ASP A 77 0.435 -1.215 18.681 1.00 0.01 H new ATOM 1221 N ARG A 78 0.735 1.990 16.372 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.318 3.046 16.214 1.00 0.01 C ATOM 1223 C ARG A 78 -1.045 2.914 14.870 1.00 0.02 C ATOM 1224 O ARG A 78 -0.447 2.989 13.817 1.00 0.02 O ATOM 1225 CB ARG A 78 0.334 4.429 16.306 1.00 0.43 C ATOM 1226 CG ARG A 78 1.239 4.495 17.540 1.00 0.80 C ATOM 1227 CD ARG A 78 0.422 4.225 18.807 1.00 1.00 C ATOM 1228 NE ARG A 78 -0.904 4.895 18.707 1.00 1.30 N ATOM 1229 CZ ARG A 78 -1.870 4.559 19.521 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -1.673 3.634 20.421 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -3.031 5.147 19.435 1.00 3.20 N ATOM 0 H ARG A 78 1.623 2.194 15.914 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.051 2.920 17.011 1.00 0.01 H new ATOM 0 HB2 ARG A 78 0.916 4.627 15.406 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.434 5.200 16.365 1.00 0.43 H new ATOM 0 HG2 ARG A 78 2.041 3.762 17.452 1.00 0.80 H new ATOM 0 HG3 ARG A 78 1.709 5.476 17.604 1.00 0.80 H new ATOM 0 HD2 ARG A 78 0.288 3.152 18.942 1.00 1.00 H new ATOM 0 HD3 ARG A 78 0.959 4.591 19.682 1.00 1.00 H new ATOM 0 HE ARG A 78 -1.059 5.617 18.003 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -0.765 3.174 20.489 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -2.427 3.372 21.056 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -3.186 5.870 18.732 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -3.784 4.884 20.071 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.342 2.771 14.903 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.139 2.697 13.637 1.00 0.01 C ATOM 1247 C LEU A 79 -4.470 3.398 13.904 1.00 0.01 C ATOM 1248 O LEU A 79 -5.184 3.053 14.823 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.386 1.237 13.232 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.128 0.642 12.570 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.362 -0.851 12.294 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.812 1.375 11.245 1.00 2.61 C ATOM 0 H LEU A 79 -2.892 2.701 15.759 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.599 3.175 12.820 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.655 0.650 14.110 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.228 1.182 12.542 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.280 0.766 13.243 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.475 -1.278 11.825 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.561 -1.368 13.233 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.216 -0.968 11.627 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -0.921 0.941 10.793 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.654 1.270 10.561 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.638 2.432 11.446 1.00 2.61 H new ATOM 1264 N GLY A 80 -4.784 4.417 13.144 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.045 5.191 13.388 1.00 0.02 C ATOM 1266 C GLY A 80 -7.113 4.900 12.335 1.00 0.02 C ATOM 1267 O GLY A 80 -8.270 5.202 12.538 1.00 0.01 O ATOM 0 H GLY A 80 -4.221 4.749 12.361 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.435 4.945 14.376 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -5.820 6.258 13.390 1.00 0.02 H new ATOM 1271 N SER A 81 -6.770 4.325 11.213 1.00 0.01 N ATOM 1272 CA SER A 81 -7.835 4.050 10.195 1.00 0.01 C ATOM 1273 C SER A 81 -7.423 2.892 9.295 1.00 0.02 C ATOM 1274 O SER A 81 -6.257 2.611 9.101 1.00 0.01 O ATOM 1275 CB SER A 81 -8.067 5.303 9.350 1.00 0.01 C ATOM 1276 OG SER A 81 -6.811 5.855 8.975 1.00 0.01 O ATOM 0 H SER A 81 -5.825 4.039 10.958 1.00 0.01 H new ATOM 0 HA SER A 81 -8.757 3.780 10.711 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.648 5.054 8.462 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.645 6.035 9.914 1.00 0.01 H new ATOM 0 HG SER A 81 -6.849 6.832 9.046 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.394 2.216 8.730 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.085 1.068 7.827 1.00 0.01 C ATOM 1284 C CYS A 82 -9.109 1.015 6.692 1.00 0.01 C ATOM 1285 O CYS A 82 -10.264 1.349 6.866 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.127 -0.244 8.615 1.00 0.01 C ATOM 1287 SG CYS A 82 -9.613 -0.282 9.647 1.00 0.02 S ATOM 0 H CYS A 82 -9.387 2.411 8.857 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.087 1.203 7.410 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -8.125 -1.092 7.930 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.237 -0.335 9.237 1.00 0.01 H new ATOM 0 HG CYS A 82 -9.649 -1.397 10.314 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.691 0.579 5.535 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.626 0.479 4.373 1.00 0.01 C ATOM 1295 C ARG A 83 -9.429 -0.875 3.704 1.00 0.01 C ATOM 1296 O ARG A 83 -8.323 -1.357 3.562 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.293 1.568 3.350 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.413 2.950 3.998 1.00 0.01 C ATOM 1299 CD ARG A 83 -9.215 4.028 2.927 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.057 3.662 2.062 1.00 0.01 N ATOM 1301 CZ ARG A 83 -7.887 4.257 0.913 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.732 5.171 0.522 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -6.873 3.935 0.159 1.00 0.01 N ATOM 0 H ARG A 83 -7.734 0.285 5.341 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.652 0.596 4.721 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.282 1.423 2.968 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.969 1.497 2.498 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.391 3.061 4.467 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -8.668 3.062 4.785 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -10.117 4.126 2.323 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -9.040 4.995 3.398 1.00 0.01 H new ATOM 0 HE ARG A 83 -7.398 2.947 2.368 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -9.524 5.420 1.114 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -8.600 5.637 -0.376 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -6.215 3.219 0.468 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -6.738 4.399 -0.739 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.498 -1.497 3.286 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.370 -2.816 2.622 1.00 0.01 C ATOM 1319 C ALA A 84 -9.870 -2.581 1.208 1.00 0.01 C ATOM 1320 O ALA A 84 -10.411 -1.787 0.465 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.734 -3.507 2.560 1.00 0.43 C ATOM 0 H ALA A 84 -11.451 -1.146 3.378 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.679 -3.448 3.180 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.629 -4.475 2.070 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.115 -3.651 3.571 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.430 -2.888 1.994 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.842 -3.276 0.830 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.289 -3.121 -0.538 1.00 0.01 C ATOM 1329 C VAL A 85 -8.952 -4.150 -1.461 1.00 0.01 C ATOM 1330 O VAL A 85 -8.922 -5.338 -1.207 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.780 -3.335 -0.482 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.198 -3.364 -1.891 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.136 -2.188 0.301 1.00 1.12 C ATOM 0 H VAL A 85 -8.355 -3.953 1.417 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.490 -2.123 -0.927 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.576 -4.286 0.009 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.120 -3.517 -1.836 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.652 -4.178 -2.456 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.405 -2.417 -2.390 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.057 -2.337 0.343 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.352 -1.242 -0.195 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.539 -2.167 1.313 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.558 -3.700 -2.525 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.235 -4.642 -3.466 1.00 0.01 C ATOM 1345 C HIS A 86 -9.239 -5.072 -4.542 1.00 0.01 C ATOM 1346 O HIS A 86 -8.491 -4.279 -5.070 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.419 -3.933 -4.127 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.289 -3.314 -3.068 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -11.857 -2.258 -2.283 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -13.569 -3.590 -2.656 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -12.859 -1.939 -1.446 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.927 -2.721 -1.631 1.00 1.71 N ATOM 0 H HIS A 86 -9.615 -2.716 -2.786 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.591 -5.516 -2.921 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.060 -3.165 -4.812 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -11.997 -4.643 -4.718 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -14.201 -4.364 -3.065 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -12.807 -1.147 -0.713 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -14.814 -2.688 -1.128 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.226 -6.339 -4.860 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.283 -6.863 -5.895 1.00 0.01 C ATOM 1362 C LEU A 87 -9.054 -6.998 -7.210 1.00 0.01 C ATOM 1363 O LEU A 87 -10.171 -7.475 -7.231 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.755 -8.259 -5.456 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.975 -8.487 -3.949 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.516 -9.898 -3.581 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -7.177 -7.470 -3.122 1.00 1.34 C ATOM 0 H LEU A 87 -9.835 -7.043 -4.443 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.437 -6.187 -6.018 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.264 -9.038 -6.023 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -6.693 -8.339 -5.688 1.00 0.67 H new ATOM 0 HG LEU A 87 -9.036 -8.363 -3.730 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -7.670 -10.064 -2.515 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -8.093 -10.628 -4.149 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.458 -10.009 -3.817 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -7.348 -7.650 -2.061 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -6.115 -7.576 -3.342 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.501 -6.461 -3.375 1.00 1.34 H new ATOM 1379 N SER A 88 -8.459 -6.609 -8.311 1.00 0.01 N ATOM 1380 CA SER A 88 -9.132 -6.733 -9.639 1.00 0.01 C ATOM 1381 C SER A 88 -8.397 -7.780 -10.478 1.00 0.01 C ATOM 1382 O SER A 88 -7.208 -7.653 -10.695 1.00 0.01 O ATOM 1383 CB SER A 88 -9.091 -5.386 -10.361 1.00 0.81 C ATOM 1384 OG SER A 88 -10.016 -5.402 -11.442 1.00 1.08 O ATOM 0 H SER A 88 -7.523 -6.206 -8.345 1.00 0.01 H new ATOM 0 HA SER A 88 -10.169 -7.036 -9.496 1.00 0.01 H new ATOM 0 HB2 SER A 88 -9.338 -4.582 -9.668 1.00 0.81 H new ATOM 0 HB3 SER A 88 -8.085 -5.190 -10.731 1.00 0.81 H new ATOM 0 HG SER A 88 -9.993 -4.539 -11.905 1.00 1.08 H new ATOM 1390 N SER A 89 -9.068 -8.775 -11.004 1.00 0.01 N ATOM 1391 CA SER A 89 -8.365 -9.765 -11.883 1.00 0.01 C ATOM 1392 C SER A 89 -8.757 -9.416 -13.317 1.00 0.01 C ATOM 1393 O SER A 89 -9.139 -8.291 -13.577 1.00 0.01 O ATOM 1394 CB SER A 89 -8.828 -11.186 -11.552 1.00 0.43 C ATOM 1395 OG SER A 89 -8.135 -12.109 -12.381 1.00 1.26 O ATOM 0 H SER A 89 -10.064 -8.945 -10.865 1.00 0.01 H new ATOM 0 HA SER A 89 -7.285 -9.724 -11.740 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.637 -11.408 -10.502 1.00 0.43 H new ATOM 0 HB3 SER A 89 -9.903 -11.276 -11.707 1.00 0.43 H new ATOM 0 HG SER A 89 -8.427 -13.021 -12.171 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.724 -10.340 -14.251 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.157 -10.000 -15.644 1.00 0.00 C ATOM 1403 C GLY A 90 -8.219 -10.586 -16.701 1.00 0.00 C ATOM 1404 O GLY A 90 -8.666 -11.220 -17.634 1.00 0.01 O ATOM 0 H GLY A 90 -8.420 -11.303 -14.111 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.167 -10.374 -15.810 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.196 -8.916 -15.756 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.930 -10.404 -16.579 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.032 -10.989 -17.611 1.00 0.00 C ATOM 1410 C GLY A 91 -4.563 -10.646 -17.350 1.00 0.00 C ATOM 1411 O GLY A 91 -3.920 -11.279 -16.538 1.00 0.01 O ATOM 0 H GLY A 91 -6.471 -9.888 -15.828 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.155 -12.072 -17.627 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.322 -10.621 -18.595 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.019 -9.666 -18.038 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.576 -9.299 -17.839 1.00 2.31 C ATOM 1417 C GLN A 92 -2.453 -7.837 -17.395 1.00 1.91 C ATOM 1418 O GLN A 92 -2.842 -6.918 -18.089 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.827 -9.529 -19.161 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.328 -9.720 -18.890 1.00 2.86 C ATOM 1421 CD GLN A 92 0.229 -8.489 -18.172 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.447 -7.463 -18.784 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.475 -8.550 -16.891 1.00 4.43 N ATOM 0 H GLN A 92 -4.513 -9.103 -18.730 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.139 -9.921 -17.058 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.228 -10.407 -19.667 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -1.979 -8.680 -19.827 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.170 -10.610 -18.281 1.00 2.86 H new ATOM 0 HG3 GLN A 92 0.204 -9.877 -19.829 1.00 2.86 H new ATOM 0 HE21 GLN A 92 0.292 -9.412 -16.377 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.850 -7.736 -16.404 1.00 4.43 H new ATOM 1432 N ALA A 93 -1.908 -7.636 -16.223 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.754 -6.246 -15.706 1.00 0.01 C ATOM 1434 C ALA A 93 -0.570 -5.572 -16.410 1.00 0.01 C ATOM 1435 O ALA A 93 0.511 -6.120 -16.486 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.492 -6.291 -14.197 1.00 2.99 C ATOM 0 H ALA A 93 -1.565 -8.371 -15.605 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.665 -5.680 -15.900 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.379 -5.276 -13.817 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.331 -6.775 -13.696 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.580 -6.855 -14.003 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.778 -4.388 -16.934 1.00 0.00 N ATOM 1443 CA LYS A 94 0.316 -3.658 -17.650 1.00 0.01 C ATOM 1444 C LYS A 94 0.415 -2.230 -17.108 1.00 0.01 C ATOM 1445 O LYS A 94 -0.585 -1.591 -16.847 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.033 -3.624 -19.139 1.00 2.49 C ATOM 1447 CG LYS A 94 1.130 -3.009 -19.918 1.00 3.43 C ATOM 1448 CD LYS A 94 0.900 -3.187 -21.423 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.420 -2.525 -21.833 1.00 5.23 C ATOM 1450 NZ LYS A 94 -0.582 -1.236 -21.104 1.00 6.36 N ATOM 0 H LYS A 94 -1.668 -3.891 -16.896 1.00 0.00 H new ATOM 0 HA LYS A 94 1.273 -4.158 -17.499 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.234 -4.633 -19.500 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -0.940 -3.042 -19.298 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.221 -1.950 -19.678 1.00 3.43 H new ATOM 0 HG3 LYS A 94 2.067 -3.484 -19.626 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.726 -2.746 -21.980 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.878 -4.248 -21.673 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.431 -2.350 -22.909 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -1.256 -3.188 -21.609 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -1.189 -0.598 -21.657 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -1.020 -1.414 -20.178 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 0.350 -0.795 -20.968 1.00 6.36 H new ATOM 1464 N ILE A 95 1.617 -1.726 -16.929 1.00 0.00 N ATOM 1465 CA ILE A 95 1.784 -0.334 -16.397 1.00 0.01 C ATOM 1466 C ILE A 95 2.736 0.452 -17.299 1.00 0.01 C ATOM 1467 O ILE A 95 3.704 -0.073 -17.819 1.00 0.01 O ATOM 1468 CB ILE A 95 2.355 -0.397 -14.977 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.683 1.018 -14.492 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.626 -1.245 -14.965 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.898 1.003 -12.977 1.00 1.09 C ATOM 0 H ILE A 95 2.487 -2.219 -17.128 1.00 0.00 H new ATOM 0 HA ILE A 95 0.815 0.165 -16.378 1.00 0.01 H new ATOM 0 HB ILE A 95 1.615 -0.848 -14.315 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.578 1.387 -14.993 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.871 1.699 -14.748 1.00 0.30 H new ATOM 0 HG21 ILE A 95 4.027 -1.286 -13.952 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.393 -2.254 -15.304 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.366 -0.801 -15.631 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.131 2.010 -12.633 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.991 0.652 -12.484 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.725 0.336 -12.733 1.00 1.09 H new ATOM 1483 N GLN A 96 2.485 1.732 -17.437 1.00 0.01 N ATOM 1484 CA GLN A 96 3.381 2.622 -18.243 1.00 0.01 C ATOM 1485 C GLN A 96 3.885 3.727 -17.309 1.00 0.01 C ATOM 1486 O GLN A 96 3.106 4.318 -16.583 1.00 0.00 O ATOM 1487 CB GLN A 96 2.622 3.222 -19.432 1.00 0.53 C ATOM 1488 CG GLN A 96 1.188 3.539 -19.028 1.00 0.82 C ATOM 1489 CD GLN A 96 0.525 4.376 -20.124 1.00 1.25 C ATOM 1490 OE1 GLN A 96 0.480 5.585 -20.036 1.00 1.75 O ATOM 1491 NE2 GLN A 96 0.003 3.779 -21.159 1.00 2.05 N ATOM 0 H GLN A 96 1.684 2.205 -17.018 1.00 0.01 H new ATOM 0 HA GLN A 96 4.218 2.054 -18.650 1.00 0.01 H new ATOM 0 HB2 GLN A 96 3.122 4.129 -19.773 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.627 2.522 -20.268 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.630 2.616 -18.872 1.00 0.82 H new ATOM 0 HG3 GLN A 96 1.176 4.082 -18.083 1.00 0.82 H new ATOM 0 HE21 GLN A 96 0.040 2.762 -21.234 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -0.443 4.329 -21.894 1.00 2.05 H new ATOM 1500 N VAL A 97 5.161 4.021 -17.309 1.00 0.01 N ATOM 1501 CA VAL A 97 5.697 5.096 -16.407 1.00 0.01 C ATOM 1502 C VAL A 97 6.421 6.149 -17.248 1.00 0.01 C ATOM 1503 O VAL A 97 7.006 5.847 -18.271 1.00 0.01 O ATOM 1504 CB VAL A 97 6.676 4.481 -15.405 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.975 3.373 -14.618 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.871 3.888 -16.160 1.00 1.03 C ATOM 0 H VAL A 97 5.859 3.564 -17.895 1.00 0.01 H new ATOM 0 HA VAL A 97 4.873 5.564 -15.868 1.00 0.01 H new ATOM 0 HB VAL A 97 7.022 5.252 -14.717 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.673 2.936 -13.905 1.00 1.10 H new ATOM 0 HG12 VAL A 97 5.123 3.791 -14.082 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.628 2.602 -15.306 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.570 3.449 -15.448 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.521 3.117 -16.847 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.373 4.675 -16.723 1.00 1.03 H new ATOM 1516 N PHE A 98 6.359 7.391 -16.828 1.00 0.01 N ATOM 1517 CA PHE A 98 7.013 8.497 -17.604 1.00 0.01 C ATOM 1518 C PHE A 98 8.077 9.204 -16.758 1.00 0.01 C ATOM 1519 O PHE A 98 7.935 9.395 -15.568 1.00 0.01 O ATOM 1520 CB PHE A 98 5.947 9.507 -18.023 1.00 0.25 C ATOM 1521 CG PHE A 98 4.991 8.852 -18.996 1.00 0.36 C ATOM 1522 CD1 PHE A 98 4.070 7.903 -18.539 1.00 0.42 C ATOM 1523 CD2 PHE A 98 5.020 9.201 -20.352 1.00 0.58 C ATOM 1524 CE1 PHE A 98 3.180 7.301 -19.436 1.00 0.56 C ATOM 1525 CE2 PHE A 98 4.129 8.601 -21.250 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.209 7.651 -20.791 1.00 0.69 C ATOM 0 H PHE A 98 5.882 7.689 -15.977 1.00 0.01 H new ATOM 0 HA PHE A 98 7.498 8.071 -18.482 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.405 9.865 -17.148 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.415 10.376 -18.485 1.00 0.25 H new ATOM 0 HD1 PHE A 98 4.046 7.635 -17.493 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.730 9.934 -20.705 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.471 6.567 -19.083 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.151 8.871 -22.296 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.521 7.188 -21.483 1.00 0.69 H new ATOM 1536 N GLU A 99 9.162 9.557 -17.392 1.00 0.01 N ATOM 1537 CA GLU A 99 10.285 10.219 -16.669 1.00 0.01 C ATOM 1538 C GLU A 99 9.885 11.611 -16.157 1.00 0.01 C ATOM 1539 O GLU A 99 10.407 12.072 -15.161 1.00 0.01 O ATOM 1540 CB GLU A 99 11.483 10.355 -17.610 1.00 0.01 C ATOM 1541 CG GLU A 99 12.630 11.053 -16.877 1.00 0.01 C ATOM 1542 CD GLU A 99 13.919 10.902 -17.684 1.00 0.01 C ATOM 1543 OE1 GLU A 99 14.105 9.854 -18.279 1.00 0.01 O ATOM 1544 OE2 GLU A 99 14.698 11.840 -17.691 1.00 0.02 O ATOM 0 H GLU A 99 9.320 9.414 -18.389 1.00 0.01 H new ATOM 0 HA GLU A 99 10.543 9.601 -15.809 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.802 9.371 -17.954 1.00 0.01 H new ATOM 0 HB3 GLU A 99 11.201 10.926 -18.495 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.397 12.109 -16.738 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.757 10.621 -15.884 1.00 0.01 H new ATOM 1551 N LYS A 100 8.977 12.291 -16.825 1.00 0.01 N ATOM 1552 CA LYS A 100 8.564 13.663 -16.365 1.00 0.01 C ATOM 1553 C LYS A 100 7.083 13.672 -15.970 1.00 0.01 C ATOM 1554 O LYS A 100 6.356 12.726 -16.197 1.00 0.01 O ATOM 1555 CB LYS A 100 8.788 14.673 -17.498 1.00 0.94 C ATOM 1556 CG LYS A 100 10.256 14.643 -17.954 1.00 1.63 C ATOM 1557 CD LYS A 100 11.121 15.492 -17.015 1.00 2.19 C ATOM 1558 CE LYS A 100 12.550 15.560 -17.560 1.00 2.84 C ATOM 1559 NZ LYS A 100 13.346 16.522 -16.747 1.00 3.18 N ATOM 0 H LYS A 100 8.505 11.957 -17.666 1.00 0.01 H new ATOM 0 HA LYS A 100 9.166 13.936 -15.498 1.00 0.01 H new ATOM 0 HB2 LYS A 100 8.134 14.439 -18.338 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.525 15.675 -17.159 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.620 13.616 -17.965 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.335 15.020 -18.974 1.00 1.63 H new ATOM 0 HD2 LYS A 100 10.705 16.496 -16.928 1.00 2.19 H new ATOM 0 HD3 LYS A 100 11.122 15.060 -16.014 1.00 2.19 H new ATOM 0 HE2 LYS A 100 13.010 14.572 -17.528 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.538 15.873 -18.604 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 14.317 16.569 -17.117 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 12.910 17.465 -16.799 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 13.368 16.205 -15.757 1.00 3.18 H new ATOM 1573 N GLY A 101 6.647 14.741 -15.361 1.00 0.01 N ATOM 1574 CA GLY A 101 5.224 14.844 -14.921 1.00 0.01 C ATOM 1575 C GLY A 101 4.288 14.976 -16.128 1.00 0.00 C ATOM 1576 O GLY A 101 4.704 15.271 -17.230 1.00 0.01 O ATOM 0 H GLY A 101 7.221 15.556 -15.147 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.954 13.962 -14.340 1.00 0.01 H new ATOM 0 HA3 GLY A 101 5.103 15.706 -14.266 1.00 0.01 H new ATOM 1580 N ASP A 102 3.017 14.777 -15.899 1.00 0.01 N ATOM 1581 CA ASP A 102 2.002 14.905 -16.986 1.00 0.00 C ATOM 1582 C ASP A 102 2.324 13.975 -18.161 1.00 0.00 C ATOM 1583 O ASP A 102 2.118 14.307 -19.311 1.00 0.01 O ATOM 1584 CB ASP A 102 1.965 16.358 -17.474 1.00 0.01 C ATOM 1585 CG ASP A 102 0.658 16.621 -18.223 1.00 0.01 C ATOM 1586 OD1 ASP A 102 0.333 15.838 -19.098 1.00 0.01 O ATOM 1587 OD2 ASP A 102 0.005 17.602 -17.909 1.00 0.01 O ATOM 0 H ASP A 102 2.633 14.527 -14.988 1.00 0.01 H new ATOM 0 HA ASP A 102 1.030 14.618 -16.585 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.052 17.038 -16.627 1.00 0.01 H new ATOM 0 HB3 ASP A 102 2.815 16.553 -18.128 1.00 0.01 H new ATOM 1592 N PHE A 103 2.794 12.797 -17.868 1.00 0.01 N ATOM 1593 CA PHE A 103 3.096 11.809 -18.943 1.00 0.01 C ATOM 1594 C PHE A 103 3.986 12.420 -20.028 1.00 0.00 C ATOM 1595 O PHE A 103 3.668 12.371 -21.200 1.00 0.01 O ATOM 1596 CB PHE A 103 1.785 11.340 -19.573 1.00 0.01 C ATOM 1597 CG PHE A 103 0.814 10.964 -18.478 1.00 0.00 C ATOM 1598 CD1 PHE A 103 1.026 9.805 -17.725 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.296 11.776 -18.213 1.00 0.01 C ATOM 1600 CE1 PHE A 103 0.130 9.455 -16.708 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.190 11.428 -17.195 1.00 0.01 C ATOM 1602 CZ PHE A 103 -0.978 10.266 -16.443 1.00 0.01 C ATOM 0 H PHE A 103 2.984 12.471 -16.920 1.00 0.01 H new ATOM 0 HA PHE A 103 3.629 10.969 -18.498 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.363 12.130 -20.194 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.966 10.485 -20.224 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.882 9.179 -17.928 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.462 12.671 -18.795 1.00 0.01 H new ATOM 0 HE1 PHE A 103 0.294 8.559 -16.128 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.044 12.056 -16.989 1.00 0.01 H new ATOM 0 HZ PHE A 103 -1.670 9.996 -15.659 1.00 0.01 H new ATOM 1612 N ASN A 104 5.113 12.968 -19.649 1.00 0.00 N ATOM 1613 CA ASN A 104 6.059 13.558 -20.648 1.00 0.01 C ATOM 1614 C ASN A 104 7.451 12.979 -20.383 1.00 0.01 C ATOM 1615 O ASN A 104 7.689 12.371 -19.358 1.00 0.01 O ATOM 1616 CB ASN A 104 6.103 15.081 -20.490 1.00 1.68 C ATOM 1617 CG ASN A 104 7.198 15.657 -21.387 1.00 2.31 C ATOM 1618 OD1 ASN A 104 8.345 15.723 -20.996 1.00 3.15 O ATOM 1619 ND2 ASN A 104 6.891 16.079 -22.584 1.00 2.38 N ATOM 0 H ASN A 104 5.422 13.033 -18.679 1.00 0.00 H new ATOM 0 HA ASN A 104 5.731 13.320 -21.660 1.00 0.01 H new ATOM 0 HB2 ASN A 104 5.138 15.512 -20.755 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.295 15.344 -19.450 1.00 1.68 H new ATOM 0 HD21 ASN A 104 7.615 16.464 -23.190 1.00 2.38 H new ATOM 0 HD22 ASN A 104 5.927 16.024 -22.913 1.00 2.38 H new ATOM 1626 N GLY A 105 8.370 13.139 -21.297 1.00 0.01 N ATOM 1627 CA GLY A 105 9.739 12.580 -21.086 1.00 0.01 C ATOM 1628 C GLY A 105 9.801 11.175 -21.685 1.00 0.01 C ATOM 1629 O GLY A 105 8.942 10.786 -22.451 1.00 0.01 O ATOM 0 H GLY A 105 8.233 13.632 -22.180 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.484 13.222 -21.555 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.972 12.546 -20.022 1.00 0.01 H new ATOM 1633 N GLN A 106 10.792 10.401 -21.337 1.00 0.01 N ATOM 1634 CA GLN A 106 10.877 9.019 -21.885 1.00 0.01 C ATOM 1635 C GLN A 106 9.844 8.149 -21.170 1.00 0.01 C ATOM 1636 O GLN A 106 9.583 8.310 -19.992 1.00 0.01 O ATOM 1637 CB GLN A 106 12.284 8.461 -21.645 1.00 0.01 C ATOM 1638 CG GLN A 106 12.426 7.099 -22.335 1.00 0.01 C ATOM 1639 CD GLN A 106 12.371 7.288 -23.852 1.00 0.01 C ATOM 1640 OE1 GLN A 106 11.743 6.518 -24.550 1.00 0.01 O ATOM 1641 NE2 GLN A 106 13.012 8.287 -24.394 1.00 0.01 N ATOM 0 H GLN A 106 11.543 10.665 -20.700 1.00 0.01 H new ATOM 0 HA GLN A 106 10.677 9.025 -22.957 1.00 0.01 H new ATOM 0 HB2 GLN A 106 13.031 9.154 -22.031 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.467 8.358 -20.575 1.00 0.01 H new ATOM 0 HG2 GLN A 106 13.368 6.631 -22.050 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.628 6.431 -22.012 1.00 0.01 H new ATOM 0 HE21 GLN A 106 13.539 8.933 -23.807 1.00 0.01 H new ATOM 0 HE22 GLN A 106 12.986 8.422 -25.405 1.00 0.01 H new ATOM 1650 N MET A 107 9.248 7.231 -21.888 1.00 0.01 N ATOM 1651 CA MET A 107 8.213 6.335 -21.286 1.00 0.01 C ATOM 1652 C MET A 107 8.693 4.886 -21.330 1.00 0.01 C ATOM 1653 O MET A 107 9.311 4.449 -22.280 1.00 0.01 O ATOM 1654 CB MET A 107 6.915 6.451 -22.089 1.00 0.00 C ATOM 1655 CG MET A 107 5.779 5.760 -21.329 1.00 0.01 C ATOM 1656 SD MET A 107 4.377 5.497 -22.443 1.00 0.01 S ATOM 1657 CE MET A 107 4.891 3.881 -23.075 1.00 0.01 C ATOM 0 H MET A 107 9.436 7.062 -22.876 1.00 0.01 H new ATOM 0 HA MET A 107 8.041 6.632 -20.251 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.670 7.500 -22.255 1.00 0.00 H new ATOM 0 HB3 MET A 107 7.040 5.994 -23.071 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.123 4.806 -20.929 1.00 0.01 H new ATOM 0 HG3 MET A 107 5.472 6.370 -20.479 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.155 3.521 -23.794 1.00 0.01 H new ATOM 0 HE2 MET A 107 5.861 3.973 -23.563 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.966 3.174 -22.249 1.00 0.01 H new ATOM 1667 N TYR A 108 8.386 4.138 -20.306 1.00 0.01 N ATOM 1668 CA TYR A 108 8.779 2.697 -20.249 1.00 0.00 C ATOM 1669 C TYR A 108 7.546 1.884 -19.845 1.00 0.01 C ATOM 1670 O TYR A 108 6.789 2.270 -18.973 1.00 0.01 O ATOM 1671 CB TYR A 108 9.885 2.503 -19.210 1.00 0.54 C ATOM 1672 CG TYR A 108 11.194 3.012 -19.768 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.862 2.281 -20.759 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.739 4.212 -19.296 1.00 0.93 C ATOM 1675 CE1 TYR A 108 13.075 2.753 -21.276 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.953 4.682 -19.815 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.620 3.950 -20.804 1.00 1.82 C ATOM 1678 OH TYR A 108 14.815 4.413 -21.315 1.00 2.48 O ATOM 0 H TYR A 108 7.870 4.469 -19.491 1.00 0.01 H new ATOM 0 HA TYR A 108 9.149 2.368 -21.220 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.636 3.037 -18.293 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.974 1.448 -18.950 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.442 1.355 -21.124 1.00 1.24 H new ATOM 0 HD2 TYR A 108 11.224 4.775 -18.532 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.590 2.191 -22.041 1.00 1.76 H new ATOM 0 HE2 TYR A 108 13.373 5.608 -19.452 1.00 1.51 H new ATOM 0 HH TYR A 108 15.052 5.258 -20.879 1.00 2.48 H new ATOM 1688 N GLU A 109 7.327 0.774 -20.504 1.00 0.01 N ATOM 1689 CA GLU A 109 6.126 -0.078 -20.213 1.00 0.01 C ATOM 1690 C GLU A 109 6.566 -1.459 -19.737 1.00 0.01 C ATOM 1691 O GLU A 109 7.454 -2.065 -20.302 1.00 0.01 O ATOM 1692 CB GLU A 109 5.310 -0.204 -21.505 1.00 0.01 C ATOM 1693 CG GLU A 109 4.017 -0.985 -21.236 1.00 0.01 C ATOM 1694 CD GLU A 109 4.317 -2.487 -21.191 1.00 0.00 C ATOM 1695 OE1 GLU A 109 4.550 -3.056 -22.246 1.00 0.00 O ATOM 1696 OE2 GLU A 109 4.309 -3.042 -20.105 1.00 0.00 O ATOM 0 H GLU A 109 7.935 0.415 -21.240 1.00 0.01 H new ATOM 0 HA GLU A 109 5.523 0.377 -19.427 1.00 0.01 H new ATOM 0 HB2 GLU A 109 5.072 0.787 -21.892 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.899 -0.712 -22.269 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.578 -0.664 -20.291 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.285 -0.774 -22.016 1.00 0.01 H new ATOM 1703 N THR A 110 5.958 -1.967 -18.693 1.00 0.01 N ATOM 1704 CA THR A 110 6.364 -3.315 -18.188 1.00 0.00 C ATOM 1705 C THR A 110 5.175 -4.046 -17.554 1.00 0.01 C ATOM 1706 O THR A 110 4.253 -3.452 -17.031 1.00 0.01 O ATOM 1707 CB THR A 110 7.467 -3.158 -17.140 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.702 -4.409 -16.513 1.00 1.65 O ATOM 1709 CG2 THR A 110 7.032 -2.132 -16.091 1.00 1.69 C ATOM 0 H THR A 110 5.207 -1.513 -18.174 1.00 0.01 H new ATOM 0 HA THR A 110 6.726 -3.900 -19.033 1.00 0.00 H new ATOM 0 HB THR A 110 8.383 -2.816 -17.622 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.410 -4.311 -15.842 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.818 -2.020 -15.344 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.851 -1.172 -16.574 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.117 -2.473 -15.607 1.00 1.69 H new ATOM 1717 N THR A 111 5.208 -5.350 -17.627 1.00 0.00 N ATOM 1718 CA THR A 111 4.112 -6.195 -17.057 1.00 0.01 C ATOM 1719 C THR A 111 4.624 -6.947 -15.823 1.00 0.01 C ATOM 1720 O THR A 111 3.972 -7.846 -15.328 1.00 0.01 O ATOM 1721 CB THR A 111 3.660 -7.206 -18.110 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.771 -7.998 -18.507 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.097 -6.462 -19.324 1.00 0.01 C ATOM 0 H THR A 111 5.963 -5.877 -18.066 1.00 0.00 H new ATOM 0 HA THR A 111 3.276 -5.557 -16.769 1.00 0.01 H new ATOM 0 HB THR A 111 2.886 -7.850 -17.692 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.963 -8.664 -17.814 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.775 -7.183 -20.075 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.246 -5.854 -19.016 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.869 -5.819 -19.746 1.00 0.01 H new ATOM 1731 N GLU A 112 5.797 -6.612 -15.342 1.00 0.01 N ATOM 1732 CA GLU A 112 6.372 -7.335 -14.156 1.00 0.01 C ATOM 1733 C GLU A 112 6.640 -6.372 -12.994 1.00 0.01 C ATOM 1734 O GLU A 112 6.715 -5.170 -13.161 1.00 0.01 O ATOM 1735 CB GLU A 112 7.694 -7.983 -14.572 1.00 0.85 C ATOM 1736 CG GLU A 112 7.495 -8.746 -15.884 1.00 1.61 C ATOM 1737 CD GLU A 112 6.388 -9.788 -15.711 1.00 2.51 C ATOM 1738 OE1 GLU A 112 6.405 -10.487 -14.711 1.00 3.21 O ATOM 1739 OE2 GLU A 112 5.540 -9.872 -16.585 1.00 3.07 O ATOM 0 H GLU A 112 6.385 -5.868 -15.718 1.00 0.01 H new ATOM 0 HA GLU A 112 5.654 -8.085 -13.825 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.463 -7.220 -14.695 1.00 0.85 H new ATOM 0 HB3 GLU A 112 8.040 -8.662 -13.793 1.00 0.85 H new ATOM 0 HG2 GLU A 112 7.233 -8.053 -16.683 1.00 1.61 H new ATOM 0 HG3 GLU A 112 8.425 -9.234 -16.177 1.00 1.61 H new ATOM 1746 N ASP A 113 6.814 -6.913 -11.816 1.00 0.01 N ATOM 1747 CA ASP A 113 7.112 -6.064 -10.626 1.00 0.01 C ATOM 1748 C ASP A 113 8.489 -5.426 -10.832 1.00 0.00 C ATOM 1749 O ASP A 113 9.329 -5.961 -11.530 1.00 0.01 O ATOM 1750 CB ASP A 113 7.144 -6.948 -9.370 1.00 0.01 C ATOM 1751 CG ASP A 113 5.717 -7.181 -8.868 1.00 0.01 C ATOM 1752 OD1 ASP A 113 4.796 -6.938 -9.628 1.00 0.00 O ATOM 1753 OD2 ASP A 113 5.570 -7.598 -7.730 1.00 0.00 O ATOM 0 H ASP A 113 6.762 -7.914 -11.627 1.00 0.01 H new ATOM 0 HA ASP A 113 6.350 -5.294 -10.505 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.621 -7.902 -9.597 1.00 0.01 H new ATOM 0 HB3 ASP A 113 7.740 -6.471 -8.592 1.00 0.01 H new ATOM 1758 N CYS A 114 8.735 -4.300 -10.199 1.00 0.01 N ATOM 1759 CA CYS A 114 10.069 -3.628 -10.314 1.00 0.01 C ATOM 1760 C CYS A 114 10.658 -3.455 -8.897 1.00 0.01 C ATOM 1761 O CYS A 114 10.160 -2.639 -8.138 1.00 0.01 O ATOM 1762 CB CYS A 114 9.875 -2.240 -10.929 1.00 0.01 C ATOM 1763 SG CYS A 114 11.421 -1.307 -10.819 1.00 0.01 S ATOM 0 H CYS A 114 8.063 -3.816 -9.604 1.00 0.01 H new ATOM 0 HA CYS A 114 10.736 -4.226 -10.935 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.567 -2.332 -11.971 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.079 -1.708 -10.408 1.00 0.01 H new ATOM 0 HG CYS A 114 11.601 -0.634 -11.917 1.00 0.01 H new ATOM 1769 N PRO A 115 11.707 -4.178 -8.521 1.00 0.01 N ATOM 1770 CA PRO A 115 12.296 -4.008 -7.163 1.00 0.01 C ATOM 1771 C PRO A 115 13.146 -2.735 -7.069 1.00 0.01 C ATOM 1772 O PRO A 115 13.237 -2.124 -6.023 1.00 0.01 O ATOM 1773 CB PRO A 115 13.157 -5.275 -7.015 1.00 0.01 C ATOM 1774 CG PRO A 115 13.396 -5.843 -8.428 1.00 0.01 C ATOM 1775 CD PRO A 115 12.367 -5.206 -9.383 1.00 0.01 C ATOM 0 HA PRO A 115 11.548 -3.896 -6.378 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.105 -5.039 -6.531 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.653 -6.010 -6.387 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.410 -5.622 -8.760 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.291 -6.928 -8.425 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.846 -4.757 -10.253 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.653 -5.940 -9.756 1.00 0.01 H new ATOM 1783 N SER A 116 13.776 -2.341 -8.144 1.00 0.01 N ATOM 1784 CA SER A 116 14.628 -1.113 -8.115 1.00 0.02 C ATOM 1785 C SER A 116 14.440 -0.353 -9.427 1.00 0.01 C ATOM 1786 O SER A 116 14.888 -0.772 -10.479 1.00 0.00 O ATOM 1787 CB SER A 116 16.095 -1.515 -7.954 1.00 0.01 C ATOM 1788 OG SER A 116 16.923 -0.476 -8.460 1.00 0.01 O ATOM 0 H SER A 116 13.738 -2.818 -9.045 1.00 0.01 H new ATOM 0 HA SER A 116 14.340 -0.477 -7.278 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.321 -1.697 -6.903 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.290 -2.445 -8.488 1.00 0.01 H new ATOM 0 HG SER A 116 17.864 -0.729 -8.357 1.00 0.01 H new ATOM 1794 N ILE A 117 13.753 0.752 -9.365 1.00 0.01 N ATOM 1795 CA ILE A 117 13.486 1.550 -10.593 1.00 0.01 C ATOM 1796 C ILE A 117 14.794 2.074 -11.192 1.00 0.01 C ATOM 1797 O ILE A 117 14.944 2.122 -12.395 1.00 0.00 O ATOM 1798 CB ILE A 117 12.558 2.723 -10.230 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.112 2.222 -10.170 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.658 3.844 -11.274 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.235 3.277 -9.505 1.00 1.83 C ATOM 0 H ILE A 117 13.361 1.140 -8.507 1.00 0.01 H new ATOM 0 HA ILE A 117 13.006 0.917 -11.339 1.00 0.01 H new ATOM 0 HB ILE A 117 12.863 3.120 -9.262 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.747 2.011 -11.175 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.063 1.288 -9.611 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.993 4.661 -10.995 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.684 4.210 -11.318 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.368 3.458 -12.251 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.206 2.920 -9.462 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.596 3.466 -8.494 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.275 4.200 -10.083 1.00 1.83 H new ATOM 1813 N MET A 118 15.721 2.496 -10.377 1.00 0.02 N ATOM 1814 CA MET A 118 16.984 3.042 -10.943 1.00 0.01 C ATOM 1815 C MET A 118 17.758 1.935 -11.653 1.00 0.01 C ATOM 1816 O MET A 118 18.359 2.156 -12.679 1.00 0.02 O ATOM 1817 CB MET A 118 17.844 3.658 -9.835 1.00 0.24 C ATOM 1818 CG MET A 118 19.071 4.333 -10.451 1.00 0.63 C ATOM 1819 SD MET A 118 19.866 5.386 -9.211 1.00 1.20 S ATOM 1820 CE MET A 118 20.914 4.115 -8.459 1.00 1.34 C ATOM 0 H MET A 118 15.660 2.487 -9.359 1.00 0.02 H new ATOM 0 HA MET A 118 16.736 3.821 -11.664 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.261 4.386 -9.271 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.156 2.886 -9.132 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.773 3.580 -10.808 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.776 4.929 -11.315 1.00 0.63 H new ATOM 0 HE1 MET A 118 21.501 4.557 -7.654 1.00 1.34 H new ATOM 0 HE2 MET A 118 20.288 3.319 -8.056 1.00 1.34 H new ATOM 0 HE3 MET A 118 21.584 3.703 -9.213 1.00 1.34 H new ATOM 1830 N GLU A 119 17.754 0.742 -11.137 1.00 0.01 N ATOM 1831 CA GLU A 119 18.502 -0.341 -11.821 1.00 0.02 C ATOM 1832 C GLU A 119 17.779 -0.725 -13.113 1.00 0.02 C ATOM 1833 O GLU A 119 18.398 -1.035 -14.113 1.00 0.01 O ATOM 1834 CB GLU A 119 18.591 -1.562 -10.896 1.00 0.30 C ATOM 1835 CG GLU A 119 19.189 -2.762 -11.652 1.00 0.99 C ATOM 1836 CD GLU A 119 18.090 -3.489 -12.438 1.00 1.69 C ATOM 1837 OE1 GLU A 119 17.106 -3.875 -11.825 1.00 2.11 O ATOM 1838 OE2 GLU A 119 18.250 -3.645 -13.637 1.00 2.07 O ATOM 0 H GLU A 119 17.271 0.472 -10.280 1.00 0.01 H new ATOM 0 HA GLU A 119 19.507 0.005 -12.061 1.00 0.02 H new ATOM 0 HB2 GLU A 119 19.208 -1.326 -10.029 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.599 -1.817 -10.522 1.00 0.30 H new ATOM 0 HG2 GLU A 119 19.969 -2.421 -12.333 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.658 -3.449 -10.948 1.00 0.99 H new ATOM 1845 N GLN A 120 16.474 -0.763 -13.087 1.00 0.00 N ATOM 1846 CA GLN A 120 15.714 -1.195 -14.297 1.00 0.01 C ATOM 1847 C GLN A 120 15.565 -0.070 -15.327 1.00 0.01 C ATOM 1848 O GLN A 120 15.740 -0.284 -16.511 1.00 0.01 O ATOM 1849 CB GLN A 120 14.320 -1.656 -13.868 1.00 0.52 C ATOM 1850 CG GLN A 120 13.657 -2.426 -15.014 1.00 1.07 C ATOM 1851 CD GLN A 120 14.284 -3.817 -15.131 1.00 1.08 C ATOM 1852 OE1 GLN A 120 14.645 -4.246 -16.210 1.00 0.98 O ATOM 1853 NE2 GLN A 120 14.429 -4.547 -14.060 1.00 2.08 N ATOM 0 H GLN A 120 15.901 -0.514 -12.281 1.00 0.00 H new ATOM 0 HA GLN A 120 16.274 -2.004 -14.766 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.392 -2.290 -12.984 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.710 -0.795 -13.594 1.00 0.52 H new ATOM 0 HG2 GLN A 120 12.585 -2.513 -14.834 1.00 1.07 H new ATOM 0 HG3 GLN A 120 13.780 -1.881 -15.950 1.00 1.07 H new ATOM 0 HE21 GLN A 120 14.127 -4.189 -13.154 1.00 2.08 H new ATOM 0 HE22 GLN A 120 14.845 -5.476 -14.128 1.00 2.08 H new ATOM 1862 N PHE A 121 15.168 1.104 -14.897 1.00 0.02 N ATOM 1863 CA PHE A 121 14.914 2.226 -15.864 1.00 0.01 C ATOM 1864 C PHE A 121 15.943 3.353 -15.738 1.00 0.01 C ATOM 1865 O PHE A 121 15.896 4.319 -16.471 1.00 0.01 O ATOM 1866 CB PHE A 121 13.514 2.783 -15.593 1.00 0.01 C ATOM 1867 CG PHE A 121 12.502 1.666 -15.728 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.262 1.092 -16.982 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.808 1.201 -14.601 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.331 0.056 -17.113 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.876 0.164 -14.734 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.638 -0.409 -15.988 1.00 0.01 C ATOM 0 H PHE A 121 15.008 1.337 -13.917 1.00 0.02 H new ATOM 0 HA PHE A 121 14.996 1.830 -16.876 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.468 3.213 -14.593 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.286 3.584 -16.296 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.796 1.450 -17.850 1.00 0.01 H new ATOM 0 HD2 PHE A 121 11.992 1.642 -13.632 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.147 -0.385 -18.081 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.340 -0.194 -13.867 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.920 -1.210 -16.089 1.00 0.01 H new ATOM 1882 N HIS A 122 16.867 3.256 -14.826 1.00 0.01 N ATOM 1883 CA HIS A 122 17.875 4.341 -14.678 1.00 0.01 C ATOM 1884 C HIS A 122 17.166 5.647 -14.305 1.00 0.01 C ATOM 1885 O HIS A 122 17.582 6.721 -14.694 1.00 0.02 O ATOM 1886 CB HIS A 122 18.647 4.505 -15.994 1.00 0.01 C ATOM 1887 CG HIS A 122 18.850 3.153 -16.623 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.406 2.861 -17.901 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.444 2.005 -16.159 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.734 1.583 -18.161 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.370 1.014 -17.133 1.00 0.01 N ATOM 0 H HIS A 122 16.968 2.475 -14.178 1.00 0.01 H new ATOM 0 HA HIS A 122 18.581 4.086 -13.887 1.00 0.01 H new ATOM 0 HB2 HIS A 122 18.097 5.156 -16.673 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.610 4.980 -15.807 1.00 0.01 H new ATOM 0 HD2 HIS A 122 19.899 1.889 -15.186 1.00 0.01 H new ATOM 0 HE1 HIS A 122 18.510 1.078 -19.089 1.00 0.00 H new ATOM 0 HE2 HIS A 122 19.725 0.059 -17.075 1.00 0.01 H new ATOM 1899 N LEU A 123 16.095 5.559 -13.543 1.00 0.01 N ATOM 1900 CA LEU A 123 15.343 6.792 -13.125 1.00 0.01 C ATOM 1901 C LEU A 123 15.454 6.961 -11.610 1.00 0.02 C ATOM 1902 O LEU A 123 15.323 6.015 -10.859 1.00 0.01 O ATOM 1903 CB LEU A 123 13.868 6.655 -13.514 1.00 0.01 C ATOM 1904 CG LEU A 123 13.752 6.261 -14.989 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.275 6.088 -15.353 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.374 7.351 -15.873 1.00 0.01 C ATOM 0 H LEU A 123 15.709 4.683 -13.192 1.00 0.01 H new ATOM 0 HA LEU A 123 15.768 7.662 -13.625 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.386 5.903 -12.889 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.348 7.596 -13.338 1.00 0.01 H new ATOM 0 HG LEU A 123 14.283 5.323 -15.153 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.189 5.807 -16.403 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.836 5.307 -14.732 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.746 7.026 -15.184 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.287 7.063 -16.921 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.851 8.293 -15.711 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.426 7.472 -15.616 1.00 0.01 H new ATOM 1918 N ARG A 124 15.711 8.157 -11.152 1.00 0.01 N ATOM 1919 CA ARG A 124 15.850 8.387 -9.682 1.00 0.00 C ATOM 1920 C ARG A 124 14.490 8.717 -9.052 1.00 0.01 C ATOM 1921 O ARG A 124 14.305 8.575 -7.859 1.00 0.01 O ATOM 1922 CB ARG A 124 16.822 9.548 -9.436 1.00 1.67 C ATOM 1923 CG ARG A 124 18.057 9.428 -10.368 1.00 1.98 C ATOM 1924 CD ARG A 124 17.864 10.269 -11.646 1.00 2.92 C ATOM 1925 NE ARG A 124 18.582 9.618 -12.776 1.00 3.54 N ATOM 1926 CZ ARG A 124 18.328 9.986 -14.003 1.00 4.57 C ATOM 1927 NH1 ARG A 124 17.450 10.925 -14.231 1.00 5.25 N ATOM 1928 NH2 ARG A 124 18.949 9.414 -14.997 1.00 5.32 N ATOM 0 H ARG A 124 15.831 8.987 -11.733 1.00 0.01 H new ATOM 0 HA ARG A 124 16.235 7.477 -9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.316 10.497 -9.613 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.143 9.547 -8.394 1.00 1.67 H new ATOM 0 HG2 ARG A 124 18.950 9.761 -9.840 1.00 1.98 H new ATOM 0 HG3 ARG A 124 18.216 8.383 -10.636 1.00 1.98 H new ATOM 0 HD2 ARG A 124 16.803 10.360 -11.878 1.00 2.92 H new ATOM 0 HD3 ARG A 124 18.244 11.279 -11.492 1.00 2.92 H new ATOM 0 HE ARG A 124 19.270 8.887 -12.593 1.00 3.54 H new ATOM 0 HH11 ARG A 124 16.964 11.369 -13.452 1.00 5.25 H new ATOM 0 HH12 ARG A 124 17.250 11.214 -15.188 1.00 5.25 H new ATOM 0 HH21 ARG A 124 19.633 8.679 -14.816 1.00 5.32 H new ATOM 0 HH22 ARG A 124 18.751 9.701 -15.955 1.00 5.32 H new ATOM 1942 N GLU A 125 13.538 9.167 -9.832 1.00 0.01 N ATOM 1943 CA GLU A 125 12.199 9.517 -9.259 1.00 0.01 C ATOM 1944 C GLU A 125 11.107 9.224 -10.294 1.00 0.01 C ATOM 1945 O GLU A 125 11.377 9.085 -11.470 1.00 0.01 O ATOM 1946 CB GLU A 125 12.150 11.015 -8.919 1.00 0.01 C ATOM 1947 CG GLU A 125 12.983 11.311 -7.665 1.00 0.01 C ATOM 1948 CD GLU A 125 14.464 11.402 -8.033 1.00 0.02 C ATOM 1949 OE1 GLU A 125 14.785 12.166 -8.929 1.00 0.01 O ATOM 1950 OE2 GLU A 125 15.251 10.706 -7.414 1.00 0.02 O ATOM 0 H GLU A 125 13.629 9.307 -10.838 1.00 0.01 H new ATOM 0 HA GLU A 125 12.038 8.925 -8.358 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.528 11.597 -9.759 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.117 11.323 -8.757 1.00 0.01 H new ATOM 0 HG2 GLU A 125 12.654 12.246 -7.212 1.00 0.01 H new ATOM 0 HG3 GLU A 125 12.831 10.527 -6.924 1.00 0.01 H new ATOM 1957 N ILE A 126 9.869 9.163 -9.862 1.00 0.01 N ATOM 1958 CA ILE A 126 8.730 8.912 -10.804 1.00 0.01 C ATOM 1959 C ILE A 126 7.704 10.026 -10.586 1.00 0.01 C ATOM 1960 O ILE A 126 7.278 10.257 -9.471 1.00 0.01 O ATOM 1961 CB ILE A 126 8.069 7.570 -10.469 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.073 6.418 -10.651 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.858 7.350 -11.380 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.643 6.396 -12.080 1.00 1.70 C ATOM 0 H ILE A 126 9.596 9.278 -8.886 1.00 0.01 H new ATOM 0 HA ILE A 126 9.086 8.891 -11.834 1.00 0.01 H new ATOM 0 HB ILE A 126 7.742 7.589 -9.429 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.887 6.525 -9.934 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.583 5.468 -10.438 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.390 6.395 -11.139 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.138 8.155 -11.229 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.182 7.343 -12.421 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.349 5.571 -12.177 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.830 6.264 -12.794 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.154 7.337 -12.282 1.00 1.70 H new ATOM 1976 N HIS A 127 7.336 10.752 -11.622 1.00 0.01 N ATOM 1977 CA HIS A 127 6.373 11.891 -11.436 1.00 0.01 C ATOM 1978 C HIS A 127 5.004 11.609 -12.060 1.00 0.01 C ATOM 1979 O HIS A 127 4.038 12.289 -11.776 1.00 0.01 O ATOM 1980 CB HIS A 127 6.961 13.159 -12.059 1.00 0.02 C ATOM 1981 CG HIS A 127 8.286 13.463 -11.416 1.00 0.01 C ATOM 1982 ND1 HIS A 127 8.481 14.573 -10.611 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.491 12.805 -11.445 1.00 0.01 C ATOM 1984 CE1 HIS A 127 9.760 14.550 -10.189 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.420 13.493 -10.669 1.00 0.02 N ATOM 0 H HIS A 127 7.658 10.607 -12.579 1.00 0.01 H new ATOM 0 HA HIS A 127 6.224 12.021 -10.364 1.00 0.01 H new ATOM 0 HB2 HIS A 127 7.088 13.025 -13.133 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.277 13.996 -11.921 1.00 0.02 H new ATOM 0 HD1 HIS A 127 7.783 15.280 -10.380 1.00 0.01 H new ATOM 0 HD2 HIS A 127 9.688 11.892 -11.988 1.00 0.01 H new ATOM 0 HE1 HIS A 127 10.198 15.295 -9.542 1.00 0.01 H new ATOM 1993 N SER A 128 4.894 10.599 -12.883 1.00 0.01 N ATOM 1994 CA SER A 128 3.572 10.270 -13.488 1.00 0.01 C ATOM 1995 C SER A 128 3.596 8.826 -13.999 1.00 0.01 C ATOM 1996 O SER A 128 4.632 8.304 -14.366 1.00 0.01 O ATOM 1997 CB SER A 128 3.294 11.218 -14.653 1.00 0.01 C ATOM 1998 OG SER A 128 2.080 10.836 -15.288 1.00 0.01 O ATOM 0 H SER A 128 5.663 9.989 -13.161 1.00 0.01 H new ATOM 0 HA SER A 128 2.789 10.380 -12.738 1.00 0.01 H new ATOM 0 HB2 SER A 128 3.223 12.244 -14.293 1.00 0.01 H new ATOM 0 HB3 SER A 128 4.117 11.187 -15.367 1.00 0.01 H new ATOM 0 HG SER A 128 2.280 10.267 -16.060 1.00 0.01 H new ATOM 2004 N CYS A 129 2.460 8.182 -14.029 1.00 0.01 N ATOM 2005 CA CYS A 129 2.400 6.774 -14.512 1.00 0.01 C ATOM 2006 C CYS A 129 0.935 6.383 -14.699 1.00 0.00 C ATOM 2007 O CYS A 129 0.084 6.805 -13.942 1.00 0.01 O ATOM 2008 CB CYS A 129 3.055 5.845 -13.486 1.00 0.69 C ATOM 2009 SG CYS A 129 2.180 5.976 -11.907 1.00 1.22 S ATOM 0 H CYS A 129 1.565 8.575 -13.737 1.00 0.01 H new ATOM 0 HA CYS A 129 2.933 6.684 -15.459 1.00 0.01 H new ATOM 0 HB2 CYS A 129 3.030 4.816 -13.844 1.00 0.69 H new ATOM 0 HB3 CYS A 129 4.104 6.112 -13.356 1.00 0.69 H new ATOM 0 HG CYS A 129 2.763 5.221 -11.024 1.00 1.22 H new ATOM 2015 N LYS A 130 0.627 5.591 -15.702 1.00 0.01 N ATOM 2016 CA LYS A 130 -0.801 5.185 -15.938 1.00 0.01 C ATOM 2017 C LYS A 130 -0.905 3.657 -15.964 1.00 0.01 C ATOM 2018 O LYS A 130 -0.462 2.990 -16.875 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.276 5.766 -17.286 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.825 5.809 -17.372 1.00 0.80 C ATOM 2021 CD LYS A 130 -3.372 4.526 -18.032 1.00 0.29 C ATOM 2022 CE LYS A 130 -3.344 4.665 -19.560 1.00 0.33 C ATOM 2023 NZ LYS A 130 -3.943 3.449 -20.181 1.00 1.41 N ATOM 0 H LYS A 130 1.300 5.209 -16.366 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.430 5.569 -15.135 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -0.875 6.772 -17.411 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -0.882 5.162 -18.103 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -3.246 5.918 -16.373 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -3.138 6.681 -17.946 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -2.774 3.667 -17.726 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -4.392 4.341 -17.695 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -3.898 5.553 -19.865 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -2.318 4.795 -19.905 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -3.924 3.543 -21.217 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -3.396 2.610 -19.899 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -4.927 3.344 -19.861 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.507 3.117 -14.950 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.708 1.643 -14.833 1.00 0.01 C ATOM 2039 C VAL A 131 -3.200 1.367 -14.986 1.00 0.01 C ATOM 2040 O VAL A 131 -4.009 2.056 -14.396 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.234 1.168 -13.460 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -2.066 1.847 -12.369 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.404 -0.348 -13.365 1.00 0.01 C ATOM 0 H VAL A 131 -1.883 3.652 -14.167 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.140 1.115 -15.599 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.184 1.427 -13.325 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.728 1.508 -11.390 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -1.946 2.928 -12.440 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.117 1.589 -12.499 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.067 -0.691 -12.387 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.455 -0.605 -13.498 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -0.812 -0.830 -14.143 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.469 -1.280 -7.459 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.989 -1.446 -7.606 1.00 0.01 C ATOM 2107 C TRP A 136 -0.353 -0.811 -6.365 1.00 0.01 C ATOM 2108 O TRP A 136 -0.912 0.105 -5.796 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.504 -0.738 -8.885 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.568 -1.686 -10.046 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.693 -2.289 -10.494 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.516 -2.154 -10.900 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.369 -3.094 -11.570 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.021 -3.046 -11.859 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.897 -1.895 -10.938 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.784 -3.659 -12.819 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.711 -2.510 -11.905 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.152 -3.390 -12.843 1.00 0.01 C ATOM 0 HA TRP A 136 -0.713 -2.497 -7.689 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.122 0.137 -9.084 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.518 -0.383 -8.750 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.682 -2.162 -10.079 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.045 -3.656 -12.088 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.336 -1.219 -10.219 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.351 -4.337 -13.539 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.771 -2.304 -11.926 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.781 -3.860 -13.584 1.00 0.01 H new ATOM 2129 N ILE A 137 0.799 -1.265 -5.926 1.00 0.01 N ATOM 2130 CA ILE A 137 1.433 -0.654 -4.711 1.00 0.00 C ATOM 2131 C ILE A 137 2.765 -0.026 -5.104 1.00 0.01 C ATOM 2132 O ILE A 137 3.575 -0.633 -5.770 1.00 0.01 O ATOM 2133 CB ILE A 137 1.720 -1.742 -3.659 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.515 -2.677 -3.493 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.032 -1.078 -2.315 1.00 1.37 C ATOM 2136 CD1 ILE A 137 0.973 -3.966 -2.801 1.00 1.69 C ATOM 0 H ILE A 137 1.325 -2.027 -6.353 1.00 0.01 H new ATOM 0 HA ILE A 137 0.754 0.093 -4.301 1.00 0.00 H new ATOM 0 HB ILE A 137 2.573 -2.331 -3.996 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.261 -2.189 -2.904 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.080 -2.906 -4.466 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.236 -1.846 -1.568 1.00 1.37 H new ATOM 0 HG22 ILE A 137 2.905 -0.434 -2.421 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.178 -0.480 -1.997 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.122 -4.636 -2.679 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.735 -4.454 -3.409 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.388 -3.726 -1.822 1.00 1.69 H new ATOM 2148 N PHE A 138 3.004 1.178 -4.657 1.00 0.01 N ATOM 2149 CA PHE A 138 4.293 1.875 -4.947 1.00 0.01 C ATOM 2150 C PHE A 138 5.039 1.973 -3.611 1.00 0.01 C ATOM 2151 O PHE A 138 4.432 2.210 -2.588 1.00 0.00 O ATOM 2152 CB PHE A 138 3.994 3.287 -5.496 1.00 1.11 C ATOM 2153 CG PHE A 138 3.936 3.303 -7.016 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.524 2.177 -7.749 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.298 4.470 -7.693 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.480 2.228 -9.147 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.254 4.518 -9.093 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.846 3.397 -9.819 1.00 2.49 C ATOM 0 H PHE A 138 2.348 1.718 -4.093 1.00 0.01 H new ATOM 0 HA PHE A 138 4.888 1.341 -5.688 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.045 3.640 -5.093 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.763 3.980 -5.155 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.241 1.271 -7.233 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.613 5.339 -7.135 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.162 1.361 -9.708 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.536 5.423 -9.611 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.813 3.434 -10.898 1.00 2.49 H new ATOM 2168 N TYR A 139 6.345 1.794 -3.605 1.00 0.01 N ATOM 2169 CA TYR A 139 7.120 1.881 -2.321 1.00 0.01 C ATOM 2170 C TYR A 139 8.213 2.944 -2.452 1.00 0.01 C ATOM 2171 O TYR A 139 8.788 3.135 -3.512 1.00 0.01 O ATOM 2172 CB TYR A 139 7.761 0.526 -2.022 1.00 0.01 C ATOM 2173 CG TYR A 139 6.715 -0.557 -2.125 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.357 -1.061 -3.380 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.107 -1.061 -0.970 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.394 -2.069 -3.482 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.142 -2.068 -1.070 1.00 0.02 C ATOM 2178 CZ TYR A 139 4.785 -2.574 -2.326 1.00 0.02 C ATOM 2179 OH TYR A 139 3.833 -3.570 -2.425 1.00 0.00 O ATOM 0 H TYR A 139 6.905 1.592 -4.433 1.00 0.01 H new ATOM 0 HA TYR A 139 6.446 2.153 -1.509 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.572 0.332 -2.724 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.198 0.531 -1.024 1.00 0.01 H new ATOM 0 HD1 TYR A 139 6.825 -0.671 -4.271 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.383 -0.672 -0.001 1.00 0.01 H new ATOM 0 HE1 TYR A 139 5.120 -2.458 -4.451 1.00 0.01 H new ATOM 0 HE2 TYR A 139 4.672 -2.456 -0.178 1.00 0.02 H new ATOM 0 HH TYR A 139 3.687 -3.972 -1.543 1.00 0.00 H new ATOM 2189 N GLU A 140 8.462 3.670 -1.392 1.00 0.01 N ATOM 2190 CA GLU A 140 9.460 4.775 -1.438 1.00 0.02 C ATOM 2191 C GLU A 140 10.894 4.242 -1.474 1.00 0.01 C ATOM 2192 O GLU A 140 11.763 4.883 -2.034 1.00 0.01 O ATOM 2193 CB GLU A 140 9.273 5.627 -0.180 1.00 0.01 C ATOM 2194 CG GLU A 140 9.994 6.965 -0.356 1.00 0.02 C ATOM 2195 CD GLU A 140 9.691 7.867 0.843 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.666 8.528 0.817 1.00 0.02 O ATOM 2197 OE2 GLU A 140 10.489 7.883 1.766 1.00 0.01 O ATOM 0 H GLU A 140 8.010 3.541 -0.487 1.00 0.01 H new ATOM 0 HA GLU A 140 9.301 5.359 -2.345 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.212 5.795 0.003 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.667 5.101 0.690 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.069 6.803 -0.441 1.00 0.02 H new ATOM 0 HG3 GLU A 140 9.670 7.447 -1.279 1.00 0.02 H new ATOM 2204 N LEU A 141 11.177 3.099 -0.885 1.00 0.01 N ATOM 2205 CA LEU A 141 12.582 2.566 -0.897 1.00 0.02 C ATOM 2206 C LEU A 141 12.609 1.241 -1.686 1.00 0.01 C ATOM 2207 O LEU A 141 11.604 0.560 -1.782 1.00 0.01 O ATOM 2208 CB LEU A 141 13.015 2.315 0.563 1.00 0.57 C ATOM 2209 CG LEU A 141 13.552 3.618 1.193 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.449 3.535 2.719 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.024 3.834 0.807 1.00 1.24 C ATOM 0 H LEU A 141 10.498 2.514 -0.398 1.00 0.01 H new ATOM 0 HA LEU A 141 13.261 3.277 -1.368 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.169 1.945 1.142 1.00 0.57 H new ATOM 0 HB3 LEU A 141 13.785 1.544 0.594 1.00 0.57 H new ATOM 0 HG LEU A 141 12.955 4.451 0.822 1.00 0.81 H new ATOM 0 HD11 LEU A 141 13.829 4.457 3.160 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.407 3.398 3.006 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.038 2.691 3.078 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.387 4.757 1.259 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.621 2.995 1.165 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.109 3.903 -0.277 1.00 1.24 H new ATOM 2223 N PRO A 142 13.747 0.867 -2.247 1.00 0.01 N ATOM 2224 CA PRO A 142 13.840 -0.400 -3.032 1.00 0.01 C ATOM 2225 C PRO A 142 13.413 -1.636 -2.226 1.00 0.01 C ATOM 2226 O PRO A 142 13.287 -1.615 -1.018 1.00 0.01 O ATOM 2227 CB PRO A 142 15.340 -0.462 -3.408 1.00 0.01 C ATOM 2228 CG PRO A 142 16.065 0.693 -2.695 1.00 0.02 C ATOM 2229 CD PRO A 142 15.005 1.666 -2.155 1.00 0.01 C ATOM 0 HA PRO A 142 13.170 -0.404 -3.892 1.00 0.01 H new ATOM 0 HB2 PRO A 142 15.767 -1.420 -3.110 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.465 -0.380 -4.488 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.680 0.310 -1.880 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.734 1.206 -3.386 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.218 1.969 -1.130 1.00 0.01 H new ATOM 0 HD3 PRO A 142 14.950 2.577 -2.751 1.00 0.01 H new ATOM 2237 N ASN A 143 13.224 -2.715 -2.930 1.00 0.01 N ATOM 2238 CA ASN A 143 12.837 -4.005 -2.293 1.00 0.01 C ATOM 2239 C ASN A 143 11.508 -3.879 -1.539 1.00 0.01 C ATOM 2240 O ASN A 143 11.262 -4.558 -0.563 1.00 0.01 O ATOM 2241 CB ASN A 143 13.932 -4.433 -1.313 1.00 0.23 C ATOM 2242 CG ASN A 143 13.726 -5.898 -0.926 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.449 -6.203 0.217 1.00 0.75 O ATOM 2244 ND2 ASN A 143 13.850 -6.826 -1.836 1.00 0.56 N ATOM 0 H ASN A 143 13.324 -2.759 -3.944 1.00 0.01 H new ATOM 0 HA ASN A 143 12.716 -4.751 -3.079 1.00 0.01 H new ATOM 0 HB2 ASN A 143 14.914 -4.301 -1.768 1.00 0.23 H new ATOM 0 HB3 ASN A 143 13.905 -3.804 -0.424 1.00 0.23 H new ATOM 0 HD21 ASN A 143 13.714 -7.806 -1.587 1.00 0.56 H new ATOM 0 HD22 ASN A 143 14.082 -6.571 -2.796 1.00 0.56 H new ATOM 2251 N TYR A 144 10.637 -3.033 -2.016 1.00 0.01 N ATOM 2252 CA TYR A 144 9.296 -2.866 -1.377 1.00 0.02 C ATOM 2253 C TYR A 144 9.426 -2.475 0.101 1.00 0.01 C ATOM 2254 O TYR A 144 8.833 -3.092 0.963 1.00 0.01 O ATOM 2255 CB TYR A 144 8.516 -4.188 -1.500 1.00 0.01 C ATOM 2256 CG TYR A 144 8.914 -4.886 -2.783 1.00 0.01 C ATOM 2257 CD1 TYR A 144 8.879 -4.190 -4.000 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.327 -6.225 -2.758 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.253 -4.833 -5.185 1.00 0.01 C ATOM 2260 CE2 TYR A 144 9.704 -6.866 -3.943 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.666 -6.170 -5.157 1.00 0.01 C ATOM 2262 OH TYR A 144 10.040 -6.802 -6.327 1.00 0.01 O ATOM 0 H TYR A 144 10.797 -2.442 -2.832 1.00 0.01 H new ATOM 0 HA TYR A 144 8.763 -2.064 -1.888 1.00 0.02 H new ATOM 0 HB2 TYR A 144 8.726 -4.829 -0.644 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.444 -3.993 -1.496 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.563 -3.157 -4.023 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.354 -6.763 -1.822 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.223 -4.297 -6.122 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.024 -7.897 -3.921 1.00 0.01 H new ATOM 0 HH TYR A 144 10.300 -7.726 -6.131 1.00 0.01 H new ATOM 2272 N ARG A 145 10.192 -1.449 0.395 1.00 0.02 N ATOM 2273 CA ARG A 145 10.359 -1.006 1.823 1.00 0.01 C ATOM 2274 C ARG A 145 10.036 0.486 1.953 1.00 0.01 C ATOM 2275 O ARG A 145 9.956 1.203 0.976 1.00 0.01 O ATOM 2276 CB ARG A 145 11.810 -1.238 2.261 1.00 0.01 C ATOM 2277 CG ARG A 145 12.113 -2.745 2.331 1.00 0.02 C ATOM 2278 CD ARG A 145 11.591 -3.345 3.648 1.00 0.01 C ATOM 2279 NE ARG A 145 12.087 -2.545 4.805 1.00 0.01 N ATOM 2280 CZ ARG A 145 11.519 -2.666 5.973 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.523 -3.496 6.132 1.00 0.02 N ATOM 2282 NH2 ARG A 145 11.944 -1.958 6.981 1.00 0.01 N ATOM 0 H ARG A 145 10.709 -0.898 -0.290 1.00 0.02 H new ATOM 0 HA ARG A 145 9.680 -1.581 2.453 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.490 -0.756 1.559 1.00 0.01 H new ATOM 0 HB3 ARG A 145 11.980 -0.780 3.236 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.650 -3.254 1.485 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.188 -2.909 2.252 1.00 0.02 H new ATOM 0 HD2 ARG A 145 10.501 -3.358 3.645 1.00 0.01 H new ATOM 0 HD3 ARG A 145 11.921 -4.379 3.742 1.00 0.01 H new ATOM 0 HE ARG A 145 12.870 -1.903 4.683 1.00 0.01 H new ATOM 0 HH11 ARG A 145 10.189 -4.050 5.343 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.079 -3.591 7.045 1.00 0.02 H new ATOM 0 HH21 ARG A 145 12.721 -1.309 6.857 1.00 0.01 H new ATOM 0 HH22 ARG A 145 11.500 -2.053 7.894 1.00 0.01 H new ATOM 2296 N GLY A 146 9.837 0.956 3.161 1.00 0.01 N ATOM 2297 CA GLY A 146 9.512 2.400 3.373 1.00 0.02 C ATOM 2298 C GLY A 146 7.997 2.618 3.302 1.00 0.01 C ATOM 2299 O GLY A 146 7.217 1.688 3.360 1.00 0.02 O ATOM 0 H GLY A 146 9.886 0.397 4.013 1.00 0.01 H new ATOM 0 HA2 GLY A 146 9.889 2.726 4.342 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.010 3.007 2.617 1.00 0.02 H new ATOM 2303 N ARG A 147 7.582 3.850 3.171 1.00 0.01 N ATOM 2304 CA ARG A 147 6.122 4.148 3.090 1.00 0.01 C ATOM 2305 C ARG A 147 5.588 3.610 1.766 1.00 0.01 C ATOM 2306 O ARG A 147 6.251 3.650 0.745 1.00 0.01 O ATOM 2307 CB ARG A 147 5.919 5.663 3.151 1.00 0.01 C ATOM 2308 CG ARG A 147 4.444 5.994 2.898 1.00 0.01 C ATOM 2309 CD ARG A 147 4.160 7.436 3.322 1.00 0.01 C ATOM 2310 NE ARG A 147 2.873 7.888 2.718 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.282 8.961 3.169 1.00 0.02 C ATOM 2312 NH1 ARG A 147 2.809 9.630 4.157 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.161 9.360 2.635 1.00 0.02 N ATOM 0 H ARG A 147 8.193 4.665 3.116 1.00 0.01 H new ATOM 0 HA ARG A 147 5.591 3.679 3.918 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.225 6.042 4.126 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.545 6.154 2.407 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.207 5.862 1.842 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.806 5.308 3.456 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.107 7.503 4.409 1.00 0.01 H new ATOM 0 HD3 ARG A 147 4.973 8.087 3.001 1.00 0.01 H new ATOM 0 HE ARG A 147 2.455 7.359 1.953 1.00 0.02 H new ATOM 0 HH11 ARG A 147 3.683 9.315 4.577 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.347 10.468 4.509 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.747 8.834 1.866 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.698 10.198 2.987 1.00 0.02 H new ATOM 2327 N GLN A 148 4.392 3.069 1.792 1.00 0.01 N ATOM 2328 CA GLN A 148 3.791 2.474 0.561 1.00 0.01 C ATOM 2329 C GLN A 148 2.577 3.304 0.131 1.00 0.01 C ATOM 2330 O GLN A 148 1.876 3.861 0.950 1.00 0.01 O ATOM 2331 CB GLN A 148 3.337 1.046 0.912 1.00 0.00 C ATOM 2332 CG GLN A 148 4.313 0.426 1.918 1.00 0.02 C ATOM 2333 CD GLN A 148 4.102 -1.089 1.973 1.00 0.02 C ATOM 2334 OE1 GLN A 148 5.052 -1.843 2.054 1.00 0.02 O ATOM 2335 NE2 GLN A 148 2.889 -1.566 1.939 1.00 0.01 N ATOM 0 H GLN A 148 3.803 3.015 2.623 1.00 0.01 H new ATOM 0 HA GLN A 148 4.515 2.461 -0.254 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.331 1.067 1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.293 0.436 0.010 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.340 0.650 1.629 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.158 0.861 2.905 1.00 0.02 H new ATOM 0 HE21 GLN A 148 2.093 -0.932 1.871 1.00 0.01 H new ATOM 0 HE22 GLN A 148 2.736 -2.574 1.980 1.00 0.01 H new ATOM 2344 N TYR A 149 2.325 3.371 -1.151 1.00 0.01 N ATOM 2345 CA TYR A 149 1.152 4.143 -1.669 1.00 0.01 C ATOM 2346 C TYR A 149 0.272 3.209 -2.500 1.00 0.01 C ATOM 2347 O TYR A 149 0.768 2.450 -3.310 1.00 0.01 O ATOM 2348 CB TYR A 149 1.640 5.305 -2.537 1.00 0.01 C ATOM 2349 CG TYR A 149 2.489 6.236 -1.704 1.00 0.01 C ATOM 2350 CD1 TYR A 149 1.886 7.256 -0.958 1.00 0.01 C ATOM 2351 CD2 TYR A 149 3.881 6.081 -1.678 1.00 0.01 C ATOM 2352 CE1 TYR A 149 2.673 8.119 -0.186 1.00 0.01 C ATOM 2353 CE2 TYR A 149 4.668 6.944 -0.906 1.00 0.01 C ATOM 2354 CZ TYR A 149 4.063 7.963 -0.160 1.00 0.01 C ATOM 2355 OH TYR A 149 4.838 8.813 0.602 1.00 0.01 O ATOM 0 H TYR A 149 2.888 2.918 -1.871 1.00 0.01 H new ATOM 0 HA TYR A 149 0.577 4.544 -0.834 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.218 4.925 -3.380 1.00 0.01 H new ATOM 0 HB3 TYR A 149 0.789 5.845 -2.952 1.00 0.01 H new ATOM 0 HD1 TYR A 149 0.813 7.377 -0.978 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.347 5.295 -2.254 1.00 0.01 H new ATOM 0 HE1 TYR A 149 2.207 8.905 0.389 1.00 0.01 H new ATOM 0 HE2 TYR A 149 5.741 6.824 -0.886 1.00 0.01 H new ATOM 0 HH TYR A 149 5.782 8.567 0.509 1.00 0.01 H new ATOM 2365 N LEU A 150 -1.023 3.232 -2.304 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.912 2.314 -3.081 1.00 0.01 C ATOM 2367 C LEU A 150 -2.484 3.062 -4.288 1.00 0.01 C ATOM 2368 O LEU A 150 -3.149 4.071 -4.152 1.00 0.01 O ATOM 2369 CB LEU A 150 -3.044 1.848 -2.157 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.956 0.845 -2.882 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -3.193 -0.461 -3.172 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.168 0.546 -1.995 1.00 0.01 C ATOM 0 H LEU A 150 -1.501 3.844 -1.643 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.353 1.451 -3.442 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.624 1.386 -1.263 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.629 2.707 -1.827 1.00 0.01 H new ATOM 0 HG LEU A 150 -4.282 1.274 -3.829 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.852 -1.161 -3.686 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.330 -0.246 -3.802 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.856 -0.902 -2.234 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.822 -0.165 -2.500 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.831 0.121 -1.050 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.715 1.469 -1.803 1.00 0.01 H new ATOM 2384 N LEU A 151 -2.237 2.563 -5.472 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.768 3.222 -6.702 1.00 0.01 C ATOM 2386 C LEU A 151 -4.075 2.534 -7.097 1.00 0.01 C ATOM 2387 O LEU A 151 -4.184 1.328 -7.032 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.746 3.079 -7.837 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.626 4.108 -7.660 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.148 3.812 -6.372 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.327 4.031 -8.856 1.00 0.01 C ATOM 0 H LEU A 151 -1.686 1.721 -5.640 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.948 4.281 -6.514 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.330 2.072 -7.839 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -2.236 3.223 -8.800 1.00 0.01 H new ATOM 0 HG LEU A 151 -1.058 5.107 -7.599 1.00 0.01 H new ATOM 0 HD11 LEU A 151 0.944 4.546 -6.249 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.530 3.866 -5.520 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.581 2.813 -6.429 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.125 4.763 -8.733 1.00 0.01 H new ATOM 0 HD22 LEU A 151 0.757 3.031 -8.915 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -0.222 4.244 -9.773 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.061 3.288 -7.509 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.371 2.684 -7.911 1.00 0.01 C ATOM 2405 C ASP A 152 -6.500 2.712 -9.436 1.00 0.00 C ATOM 2406 O ASP A 152 -5.549 2.969 -10.146 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.509 3.500 -7.286 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.163 4.989 -7.361 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.328 5.341 -8.179 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -7.739 5.752 -6.601 1.00 2.27 O ATOM 0 H ASP A 152 -5.016 4.304 -7.585 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.423 1.652 -7.564 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -8.443 3.305 -7.812 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -7.659 3.201 -6.248 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.672 2.441 -9.944 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.870 2.442 -11.423 1.00 0.01 C ATOM 2417 C LYS A 153 -8.101 3.873 -11.920 1.00 0.01 C ATOM 2418 O LYS A 153 -8.909 4.108 -12.796 1.00 0.01 O ATOM 2419 CB LYS A 153 -9.088 1.580 -11.769 1.00 0.38 C ATOM 2420 CG LYS A 153 -10.230 1.893 -10.794 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.560 1.332 -11.336 1.00 0.72 C ATOM 2422 CE LYS A 153 -12.227 2.349 -12.276 1.00 1.09 C ATOM 2423 NZ LYS A 153 -12.984 3.346 -11.469 1.00 1.84 N ATOM 0 H LYS A 153 -8.504 2.218 -9.397 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.980 2.037 -11.905 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -9.406 1.776 -12.793 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.827 0.523 -11.713 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -10.014 1.458 -9.818 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -10.312 2.971 -10.652 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -11.378 0.399 -11.869 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -12.229 1.100 -10.507 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -11.472 2.852 -12.880 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -12.899 1.838 -12.966 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -13.436 4.035 -12.103 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -13.714 2.859 -10.911 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -12.332 3.841 -10.828 1.00 1.84 H new ATOM 2437 N LYS A 154 -7.396 4.830 -11.367 1.00 0.00 N ATOM 2438 CA LYS A 154 -7.562 6.257 -11.800 1.00 0.01 C ATOM 2439 C LYS A 154 -6.269 6.743 -12.461 1.00 0.01 C ATOM 2440 O LYS A 154 -5.276 6.043 -12.494 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.860 7.123 -10.573 1.00 0.39 C ATOM 2442 CG LYS A 154 -9.301 6.888 -10.114 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.554 7.656 -8.816 1.00 0.97 C ATOM 2444 CE LYS A 154 -11.020 7.496 -8.404 1.00 1.44 C ATOM 2445 NZ LYS A 154 -11.337 8.460 -7.310 1.00 2.28 N ATOM 0 H LYS A 154 -6.707 4.685 -10.629 1.00 0.00 H new ATOM 0 HA LYS A 154 -8.384 6.331 -12.512 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -7.167 6.880 -9.767 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.712 8.176 -10.814 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.998 7.216 -10.885 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -9.476 5.823 -9.959 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.901 7.283 -8.027 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.317 8.711 -8.953 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -11.671 7.674 -9.260 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -11.206 6.475 -8.069 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -12.333 8.352 -7.030 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -10.724 8.270 -6.491 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -11.175 9.431 -7.645 1.00 2.28 H new ATOM 2459 N GLU A 155 -6.276 7.945 -12.984 1.00 0.01 N ATOM 2460 CA GLU A 155 -5.053 8.502 -13.645 1.00 0.01 C ATOM 2461 C GLU A 155 -4.424 9.542 -12.717 1.00 0.01 C ATOM 2462 O GLU A 155 -5.074 10.470 -12.276 1.00 0.01 O ATOM 2463 CB GLU A 155 -5.446 9.161 -14.972 1.00 0.01 C ATOM 2464 CG GLU A 155 -6.769 9.911 -14.804 1.00 0.01 C ATOM 2465 CD GLU A 155 -7.081 10.688 -16.084 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -6.160 11.254 -16.651 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -8.235 10.704 -16.477 1.00 0.01 O ATOM 0 H GLU A 155 -7.083 8.569 -12.981 1.00 0.01 H new ATOM 0 HA GLU A 155 -4.337 7.704 -13.842 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -4.665 9.850 -15.292 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -5.542 8.404 -15.750 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -7.573 9.208 -14.588 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -6.707 10.594 -13.957 1.00 0.01 H new ATOM 2474 N TYR A 156 -3.163 9.386 -12.402 1.00 0.00 N ATOM 2475 CA TYR A 156 -2.483 10.353 -11.484 1.00 0.01 C ATOM 2476 C TYR A 156 -1.651 11.346 -12.300 1.00 0.01 C ATOM 2477 O TYR A 156 -0.690 10.975 -12.946 1.00 0.01 O ATOM 2478 CB TYR A 156 -1.582 9.563 -10.519 1.00 0.01 C ATOM 2479 CG TYR A 156 -2.245 8.251 -10.178 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.039 7.133 -10.994 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -3.070 8.152 -9.051 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.657 5.918 -10.685 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.686 6.937 -8.740 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.480 5.818 -9.559 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.089 4.620 -9.256 1.00 0.01 O ATOM 0 H TYR A 156 -2.572 8.628 -12.742 1.00 0.00 H new ATOM 0 HA TYR A 156 -3.224 10.914 -10.914 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.609 9.384 -10.976 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -1.406 10.141 -9.612 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.402 7.209 -11.863 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -3.230 9.015 -8.422 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -2.499 5.056 -11.316 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -4.320 6.860 -7.869 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.659 4.344 -10.004 1.00 0.01 H new ATOM 2495 N ARG A 157 -2.029 12.598 -12.315 1.00 0.01 N ATOM 2496 CA ARG A 157 -1.276 13.598 -13.131 1.00 0.01 C ATOM 2497 C ARG A 157 -0.128 14.198 -12.319 1.00 0.00 C ATOM 2498 O ARG A 157 0.882 14.589 -12.872 1.00 0.01 O ATOM 2499 CB ARG A 157 -2.233 14.727 -13.540 1.00 0.01 C ATOM 2500 CG ARG A 157 -3.320 14.200 -14.505 1.00 0.01 C ATOM 2501 CD ARG A 157 -2.916 14.467 -15.960 1.00 0.00 C ATOM 2502 NE ARG A 157 -3.169 15.899 -16.284 1.00 0.01 N ATOM 2503 CZ ARG A 157 -2.640 16.429 -17.352 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -1.885 15.706 -18.135 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -2.865 17.683 -17.640 1.00 0.01 N ATOM 0 H ARG A 157 -2.825 12.971 -11.798 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.868 13.101 -14.011 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -2.702 15.152 -12.653 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -1.673 15.530 -14.019 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -3.465 13.131 -14.351 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -4.272 14.685 -14.290 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -1.862 14.229 -16.107 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -3.485 13.824 -16.632 1.00 0.00 H new ATOM 0 HE ARG A 157 -3.756 16.465 -15.671 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -1.709 14.727 -17.911 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -1.472 16.121 -18.970 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -3.455 18.249 -17.030 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -2.451 18.097 -18.475 1.00 0.01 H new ATOM 2519 N LYS A 158 -0.254 14.257 -11.015 1.00 0.01 N ATOM 2520 CA LYS A 158 0.844 14.806 -10.156 1.00 0.01 C ATOM 2521 C LYS A 158 1.151 13.745 -9.083 1.00 0.01 C ATOM 2522 O LYS A 158 0.295 12.947 -8.766 1.00 0.01 O ATOM 2523 CB LYS A 158 0.364 16.122 -9.495 1.00 0.58 C ATOM 2524 CG LYS A 158 -0.749 16.754 -10.340 1.00 0.97 C ATOM 2525 CD LYS A 158 -1.011 18.182 -9.856 1.00 1.44 C ATOM 2526 CE LYS A 158 -2.353 18.674 -10.406 1.00 2.13 C ATOM 2527 NZ LYS A 158 -3.467 18.040 -9.642 1.00 2.54 N ATOM 0 H LYS A 158 -1.079 13.945 -10.503 1.00 0.01 H new ATOM 0 HA LYS A 158 1.738 15.024 -10.740 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.001 15.921 -8.488 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.199 16.816 -9.399 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -0.461 16.762 -11.391 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -1.660 16.160 -10.263 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -1.021 18.211 -8.766 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -0.208 18.841 -10.185 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -2.415 19.759 -10.326 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -2.437 18.427 -11.464 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -4.343 18.581 -9.792 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -3.603 17.063 -9.972 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -3.233 18.033 -8.629 1.00 2.54 H new ATOM 2541 N PRO A 159 2.329 13.724 -8.508 1.00 0.01 N ATOM 2542 CA PRO A 159 2.621 12.712 -7.456 1.00 0.02 C ATOM 2543 C PRO A 159 1.642 12.864 -6.283 1.00 0.01 C ATOM 2544 O PRO A 159 1.259 11.899 -5.643 1.00 0.01 O ATOM 2545 CB PRO A 159 4.074 13.044 -7.065 1.00 0.41 C ATOM 2546 CG PRO A 159 4.474 14.358 -7.767 1.00 0.70 C ATOM 2547 CD PRO A 159 3.423 14.674 -8.844 1.00 0.28 C ATOM 0 HA PRO A 159 2.507 11.677 -7.780 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.162 13.149 -5.984 1.00 0.41 H new ATOM 0 HB3 PRO A 159 4.742 12.236 -7.362 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.532 15.172 -7.044 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.462 14.261 -8.218 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.090 15.711 -8.796 1.00 0.28 H new ATOM 0 HD3 PRO A 159 3.809 14.510 -9.850 1.00 0.28 H new ATOM 2555 N VAL A 160 1.242 14.062 -5.985 1.00 0.01 N ATOM 2556 CA VAL A 160 0.301 14.263 -4.856 1.00 0.02 C ATOM 2557 C VAL A 160 -1.021 13.553 -5.158 1.00 0.02 C ATOM 2558 O VAL A 160 -1.790 13.261 -4.264 1.00 0.02 O ATOM 2559 CB VAL A 160 0.047 15.760 -4.672 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.723 15.992 -3.369 1.00 0.86 C ATOM 2561 CG2 VAL A 160 1.385 16.498 -4.608 1.00 0.74 C ATOM 0 H VAL A 160 1.525 14.911 -6.474 1.00 0.01 H new ATOM 0 HA VAL A 160 0.731 13.850 -3.944 1.00 0.02 H new ATOM 0 HB VAL A 160 -0.538 16.135 -5.512 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.904 17.059 -3.238 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -1.676 15.465 -3.411 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -0.138 15.618 -2.529 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.206 17.565 -4.477 1.00 0.74 H new ATOM 0 HG22 VAL A 160 1.968 16.122 -3.767 1.00 0.74 H new ATOM 0 HG23 VAL A 160 1.936 16.334 -5.534 1.00 0.74 H new ATOM 2571 N ASP A 161 -1.310 13.278 -6.402 1.00 0.00 N ATOM 2572 CA ASP A 161 -2.600 12.605 -6.717 1.00 0.01 C ATOM 2573 C ASP A 161 -2.633 11.171 -6.170 1.00 0.01 C ATOM 2574 O ASP A 161 -3.700 10.623 -5.968 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.817 12.563 -8.228 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.133 13.970 -8.735 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -2.906 14.909 -7.990 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -3.596 14.084 -9.856 1.00 0.00 O ATOM 0 H ASP A 161 -0.716 13.488 -7.204 1.00 0.00 H new ATOM 0 HA ASP A 161 -3.394 13.180 -6.241 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.926 12.177 -8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -3.635 11.885 -8.470 1.00 0.00 H new ATOM 2583 N TRP A 162 -1.490 10.562 -5.891 1.00 0.01 N ATOM 2584 CA TRP A 162 -1.511 9.171 -5.313 1.00 0.01 C ATOM 2585 C TRP A 162 -1.222 9.244 -3.814 1.00 0.01 C ATOM 2586 O TRP A 162 -1.005 8.245 -3.157 1.00 0.01 O ATOM 2587 CB TRP A 162 -0.543 8.204 -6.023 1.00 0.01 C ATOM 2588 CG TRP A 162 0.851 8.733 -6.152 1.00 0.02 C ATOM 2589 CD1 TRP A 162 1.629 9.182 -5.142 1.00 0.01 C ATOM 2590 CD2 TRP A 162 1.666 8.810 -7.359 1.00 0.01 C ATOM 2591 NE1 TRP A 162 2.865 9.538 -5.655 1.00 0.01 N ATOM 2592 CE2 TRP A 162 2.934 9.331 -7.019 1.00 0.01 C ATOM 2593 CE3 TRP A 162 1.422 8.487 -8.707 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 3.928 9.524 -7.980 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 2.418 8.679 -9.676 1.00 0.01 C ATOM 2596 CH2 TRP A 162 3.668 9.197 -9.314 1.00 0.01 C ATOM 0 H TRP A 162 -0.563 10.962 -6.036 1.00 0.01 H new ATOM 0 HA TRP A 162 -2.507 8.759 -5.477 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -0.515 7.263 -5.473 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.931 7.981 -7.017 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.335 9.252 -4.105 1.00 0.01 H new ATOM 0 HE1 TRP A 162 3.632 9.908 -5.094 1.00 0.01 H new ATOM 0 HE3 TRP A 162 0.461 8.089 -8.997 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 4.890 9.923 -7.695 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 2.220 8.426 -10.707 1.00 0.01 H new ATOM 0 HH2 TRP A 162 4.430 9.344 -10.065 1.00 0.01 H new ATOM 2607 N GLY A 163 -1.283 10.431 -3.261 1.00 0.02 N ATOM 2608 CA GLY A 163 -1.083 10.600 -1.792 1.00 0.01 C ATOM 2609 C GLY A 163 0.387 10.807 -1.392 1.00 0.01 C ATOM 2610 O GLY A 163 0.715 10.739 -0.224 1.00 0.01 O ATOM 0 H GLY A 163 -1.464 11.296 -3.771 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.668 11.454 -1.450 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.471 9.721 -1.277 1.00 0.01 H new ATOM 2614 N ALA A 164 1.286 11.057 -2.322 1.00 0.01 N ATOM 2615 CA ALA A 164 2.726 11.256 -1.928 1.00 0.02 C ATOM 2616 C ALA A 164 3.070 12.747 -1.898 1.00 0.01 C ATOM 2617 O ALA A 164 2.691 13.506 -2.764 1.00 0.02 O ATOM 2618 CB ALA A 164 3.631 10.601 -2.969 1.00 0.01 C ATOM 0 H ALA A 164 1.091 11.131 -3.320 1.00 0.01 H new ATOM 0 HA ALA A 164 2.874 10.815 -0.942 1.00 0.02 H new ATOM 0 HB1 ALA A 164 4.674 10.744 -2.686 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.412 9.535 -3.022 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.454 11.057 -3.943 1.00 0.01 H new ATOM 2624 N ALA A 165 3.806 13.158 -0.898 1.00 0.02 N ATOM 2625 CA ALA A 165 4.206 14.591 -0.788 1.00 0.01 C ATOM 2626 C ALA A 165 5.482 14.838 -1.602 1.00 0.02 C ATOM 2627 O ALA A 165 5.908 15.964 -1.766 1.00 0.01 O ATOM 2628 CB ALA A 165 4.471 14.945 0.677 1.00 0.59 C ATOM 0 H ALA A 165 4.149 12.557 -0.148 1.00 0.02 H new ATOM 0 HA ALA A 165 3.399 15.213 -1.174 1.00 0.01 H new ATOM 0 HB1 ALA A 165 4.763 15.993 0.751 1.00 0.59 H new ATOM 0 HB2 ALA A 165 3.566 14.778 1.261 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.273 14.317 1.064 1.00 0.59 H new ATOM 2634 N SER A 166 6.097 13.795 -2.110 1.00 0.01 N ATOM 2635 CA SER A 166 7.353 13.969 -2.912 1.00 0.01 C ATOM 2636 C SER A 166 7.333 13.006 -4.119 1.00 0.02 C ATOM 2637 O SER A 166 6.763 11.937 -4.034 1.00 0.01 O ATOM 2638 CB SER A 166 8.554 13.634 -2.027 1.00 0.72 C ATOM 2639 OG SER A 166 8.460 12.277 -1.610 1.00 0.87 O ATOM 0 H SER A 166 5.784 12.830 -2.004 1.00 0.01 H new ATOM 0 HA SER A 166 7.422 14.997 -3.268 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.482 13.796 -2.575 1.00 0.72 H new ATOM 0 HB3 SER A 166 8.578 14.293 -1.159 1.00 0.72 H new ATOM 0 HG SER A 166 9.228 12.055 -1.043 1.00 0.87 H new ATOM 2645 N PRO A 167 7.961 13.351 -5.233 1.00 0.02 N ATOM 2646 CA PRO A 167 7.981 12.435 -6.411 1.00 0.01 C ATOM 2647 C PRO A 167 8.934 11.248 -6.202 1.00 0.01 C ATOM 2648 O PRO A 167 9.291 10.558 -7.141 1.00 0.01 O ATOM 2649 CB PRO A 167 8.513 13.356 -7.522 1.00 0.38 C ATOM 2650 CG PRO A 167 9.243 14.520 -6.839 1.00 0.35 C ATOM 2651 CD PRO A 167 8.675 14.653 -5.416 1.00 0.22 C ATOM 0 HA PRO A 167 7.009 11.986 -6.618 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.190 12.812 -8.181 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.694 13.725 -8.140 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.316 14.333 -6.807 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.097 15.444 -7.398 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.463 14.792 -4.675 1.00 0.22 H new ATOM 0 HD3 PRO A 167 7.999 15.503 -5.326 1.00 0.22 H new ATOM 2659 N ALA A 168 9.381 11.020 -4.994 1.00 0.01 N ATOM 2660 CA ALA A 168 10.339 9.900 -4.772 1.00 0.01 C ATOM 2661 C ALA A 168 9.601 8.566 -4.651 1.00 0.01 C ATOM 2662 O ALA A 168 8.792 8.352 -3.775 1.00 0.02 O ATOM 2663 CB ALA A 168 11.121 10.156 -3.481 1.00 0.18 C ATOM 0 H ALA A 168 9.127 11.554 -4.163 1.00 0.01 H new ATOM 0 HA ALA A 168 11.016 9.849 -5.624 1.00 0.01 H new ATOM 0 HB1 ALA A 168 11.824 9.340 -3.313 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.669 11.094 -3.567 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.428 10.216 -2.642 1.00 0.18 H new ATOM 2669 N ILE A 169 9.931 7.672 -5.540 1.00 0.01 N ATOM 2670 CA ILE A 169 9.331 6.307 -5.566 1.00 0.01 C ATOM 2671 C ILE A 169 10.411 5.387 -6.153 1.00 0.01 C ATOM 2672 O ILE A 169 10.938 5.654 -7.216 1.00 0.01 O ATOM 2673 CB ILE A 169 8.060 6.347 -6.458 1.00 1.81 C ATOM 2674 CG1 ILE A 169 6.797 6.641 -5.597 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.876 5.018 -7.208 1.00 2.24 C ATOM 2676 CD1 ILE A 169 5.814 7.527 -6.377 1.00 3.99 C ATOM 0 H ILE A 169 10.617 7.837 -6.277 1.00 0.01 H new ATOM 0 HA ILE A 169 9.030 5.949 -4.582 1.00 0.01 H new ATOM 0 HB ILE A 169 8.189 7.147 -7.187 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.312 5.705 -5.319 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.087 7.137 -4.671 1.00 2.75 H new ATOM 0 HG21 ILE A 169 6.980 5.070 -7.826 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.744 4.835 -7.842 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.774 4.205 -6.489 1.00 2.24 H new ATOM 0 HD11 ILE A 169 4.936 7.724 -5.762 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.298 8.470 -6.632 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.510 7.016 -7.291 1.00 3.99 H new ATOM 2688 N GLN A 170 10.779 4.335 -5.452 1.00 0.01 N ATOM 2689 CA GLN A 170 11.876 3.436 -5.953 1.00 0.01 C ATOM 2690 C GLN A 170 11.379 2.041 -6.349 1.00 0.02 C ATOM 2691 O GLN A 170 12.112 1.307 -6.983 1.00 0.01 O ATOM 2692 CB GLN A 170 12.936 3.288 -4.859 1.00 2.62 C ATOM 2693 CG GLN A 170 13.603 4.639 -4.609 1.00 3.39 C ATOM 2694 CD GLN A 170 14.468 5.014 -5.813 1.00 4.36 C ATOM 2695 OE1 GLN A 170 15.554 4.497 -5.979 1.00 4.83 O ATOM 2696 NE2 GLN A 170 14.026 5.898 -6.667 1.00 5.17 N ATOM 0 H GLN A 170 10.370 4.061 -4.559 1.00 0.01 H new ATOM 0 HA GLN A 170 12.286 3.901 -6.850 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.477 2.922 -3.941 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.682 2.552 -5.158 1.00 2.62 H new ATOM 0 HG2 GLN A 170 12.845 5.404 -4.440 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.216 4.593 -3.709 1.00 3.39 H new ATOM 0 HE21 GLN A 170 13.113 6.331 -6.526 1.00 5.17 H new ATOM 0 HE22 GLN A 170 14.593 6.155 -7.475 1.00 5.17 H new ATOM 2705 N SER A 171 10.182 1.623 -6.017 1.00 0.01 N ATOM 2706 CA SER A 171 9.778 0.241 -6.439 1.00 0.01 C ATOM 2707 C SER A 171 8.252 0.134 -6.496 1.00 0.01 C ATOM 2708 O SER A 171 7.542 0.897 -5.875 1.00 0.01 O ATOM 2709 CB SER A 171 10.326 -0.768 -5.432 1.00 0.01 C ATOM 2710 OG SER A 171 9.856 -2.066 -5.766 1.00 0.02 O ATOM 0 H SER A 171 9.488 2.154 -5.491 1.00 0.01 H new ATOM 0 HA SER A 171 10.182 0.032 -7.429 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.416 -0.750 -5.438 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.009 -0.502 -4.424 1.00 0.01 H new ATOM 0 HG SER A 171 10.006 -2.673 -5.011 1.00 0.02 H new ATOM 2716 N PHE A 172 7.742 -0.828 -7.230 1.00 0.01 N ATOM 2717 CA PHE A 172 6.255 -0.991 -7.310 1.00 0.01 C ATOM 2718 C PHE A 172 5.885 -2.448 -7.609 1.00 0.01 C ATOM 2719 O PHE A 172 6.659 -3.192 -8.180 1.00 0.01 O ATOM 2720 CB PHE A 172 5.673 -0.072 -8.392 1.00 1.06 C ATOM 2721 CG PHE A 172 6.315 -0.350 -9.734 1.00 0.75 C ATOM 2722 CD1 PHE A 172 5.932 -1.473 -10.478 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.279 0.529 -10.245 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.514 -1.718 -11.728 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.859 0.285 -11.496 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.477 -0.839 -12.236 1.00 1.92 C ATOM 0 H PHE A 172 8.285 -1.501 -7.772 1.00 0.01 H new ATOM 0 HA PHE A 172 5.831 -0.714 -6.345 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.595 -0.221 -8.461 1.00 1.06 H new ATOM 0 HB3 PHE A 172 5.834 0.970 -8.116 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.187 -2.151 -10.087 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.575 1.396 -9.673 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.220 -2.585 -12.300 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.601 0.964 -11.889 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.926 -1.028 -13.200 1.00 1.92 H new ATOM 2736 N ARG A 173 4.705 -2.864 -7.210 1.00 0.01 N ATOM 2737 CA ARG A 173 4.274 -4.278 -7.454 1.00 0.01 C ATOM 2738 C ARG A 173 2.776 -4.328 -7.773 1.00 0.01 C ATOM 2739 O ARG A 173 1.996 -3.534 -7.289 1.00 0.01 O ATOM 2740 CB ARG A 173 4.515 -5.106 -6.189 1.00 0.01 C ATOM 2741 CG ARG A 173 6.011 -5.248 -5.922 1.00 0.01 C ATOM 2742 CD ARG A 173 6.221 -6.292 -4.822 1.00 0.01 C ATOM 2743 NE ARG A 173 5.143 -6.152 -3.800 1.00 0.01 N ATOM 2744 CZ ARG A 173 4.941 -7.107 -2.933 1.00 0.01 C ATOM 2745 NH1 ARG A 173 5.684 -8.180 -2.959 1.00 0.01 N ATOM 2746 NH2 ARG A 173 3.997 -6.985 -2.039 1.00 0.01 N ATOM 0 H ARG A 173 4.021 -2.283 -6.725 1.00 0.01 H new ATOM 0 HA ARG A 173 4.846 -4.676 -8.293 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.031 -4.629 -5.337 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.064 -6.092 -6.301 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.529 -5.550 -6.832 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.432 -4.290 -5.618 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.206 -7.295 -5.248 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.198 -6.157 -4.358 1.00 0.01 H new ATOM 0 HE ARG A 173 4.565 -5.312 -3.779 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.422 -8.272 -3.657 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.526 -8.926 -2.282 1.00 0.01 H new ATOM 0 HH21 ARG A 173 3.419 -6.145 -2.019 1.00 0.01 H new ATOM 0 HH22 ARG A 173 3.838 -7.730 -1.361 1.00 0.01 H new ATOM 2760 N ARG A 174 2.370 -5.280 -8.573 1.00 0.01 N ATOM 2761 CA ARG A 174 0.923 -5.417 -8.916 1.00 0.01 C ATOM 2762 C ARG A 174 0.246 -6.266 -7.838 1.00 0.01 C ATOM 2763 O ARG A 174 0.823 -7.212 -7.340 1.00 0.01 O ATOM 2764 CB ARG A 174 0.770 -6.124 -10.263 1.00 0.01 C ATOM 2765 CG ARG A 174 1.459 -7.489 -10.211 1.00 0.01 C ATOM 2766 CD ARG A 174 1.472 -8.107 -11.609 1.00 0.01 C ATOM 2767 NE ARG A 174 2.349 -9.312 -11.609 1.00 0.01 N ATOM 2768 CZ ARG A 174 2.275 -10.167 -12.591 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.438 -9.965 -13.574 1.00 0.01 N ATOM 2770 NH2 ARG A 174 3.037 -11.227 -12.591 1.00 0.01 N ATOM 0 H ARG A 174 2.982 -5.972 -9.006 1.00 0.01 H new ATOM 0 HA ARG A 174 0.468 -4.428 -8.973 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -0.286 -6.248 -10.501 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.206 -5.516 -11.055 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.478 -7.380 -9.841 1.00 0.01 H new ATOM 0 HG3 ARG A 174 0.936 -8.146 -9.516 1.00 0.01 H new ATOM 0 HD2 ARG A 174 0.460 -8.380 -11.907 1.00 0.01 H new ATOM 0 HD3 ARG A 174 1.834 -7.380 -12.337 1.00 0.01 H new ATOM 0 HE ARG A 174 3.005 -9.467 -10.843 1.00 0.01 H new ATOM 0 HH11 ARG A 174 0.841 -9.138 -13.574 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.381 -10.635 -14.341 1.00 0.01 H new ATOM 0 HH21 ARG A 174 3.690 -11.386 -11.823 1.00 0.01 H new ATOM 0 HH22 ARG A 174 2.980 -11.896 -13.359 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.972 -5.950 -7.477 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.667 -6.765 -6.434 1.00 0.01 C ATOM 2786 C ILE A 175 -2.523 -7.843 -7.102 1.00 0.00 C ATOM 2787 O ILE A 175 -3.319 -7.568 -7.979 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.551 -5.871 -5.571 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.723 -4.669 -5.101 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -3.037 -6.668 -4.359 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.455 -3.898 -3.991 1.00 3.04 C ATOM 0 H ILE A 175 -1.511 -5.171 -7.855 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.917 -7.240 -5.802 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.412 -5.524 -6.143 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.755 -5.010 -4.734 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.529 -4.005 -5.943 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.670 -6.035 -3.737 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -3.609 -7.532 -4.697 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -2.179 -7.006 -3.778 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.847 -3.050 -3.675 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.412 -3.537 -4.369 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.626 -4.559 -3.141 1.00 3.04 H new ATOM 2803 N VAL A 176 -2.360 -9.075 -6.688 1.00 0.01 N ATOM 2804 CA VAL A 176 -3.150 -10.195 -7.284 1.00 0.00 C ATOM 2805 C VAL A 176 -3.643 -11.120 -6.170 1.00 0.01 C ATOM 2806 O VAL A 176 -2.987 -11.295 -5.164 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.263 -10.994 -8.238 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -3.101 -12.070 -8.931 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -1.669 -10.055 -9.288 1.00 1.89 C ATOM 0 H VAL A 176 -1.707 -9.355 -5.956 1.00 0.01 H new ATOM 0 HA VAL A 176 -4.001 -9.786 -7.828 1.00 0.00 H new ATOM 0 HB VAL A 176 -1.457 -11.467 -7.676 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.469 -12.641 -9.612 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -3.525 -12.739 -8.182 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -3.907 -11.598 -9.493 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -1.036 -10.624 -9.969 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -2.474 -9.582 -9.851 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -1.073 -9.288 -8.794 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.794 -11.712 -6.342 1.00 0.01 N ATOM 2820 CA GLU A 177 -5.330 -12.626 -5.292 1.00 0.01 C ATOM 2821 C GLU A 177 -4.311 -13.733 -5.025 1.00 0.01 C ATOM 2822 O GLU A 177 -3.228 -13.740 -5.576 1.00 0.01 O ATOM 2823 CB GLU A 177 -6.653 -13.242 -5.775 1.00 2.15 C ATOM 2824 CG GLU A 177 -7.175 -14.260 -4.750 1.00 3.19 C ATOM 2825 CD GLU A 177 -7.325 -13.591 -3.381 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -8.164 -12.712 -3.261 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -6.601 -13.967 -2.476 1.00 4.77 O ATOM 0 H GLU A 177 -5.387 -11.602 -7.165 1.00 0.01 H new ATOM 0 HA GLU A 177 -5.510 -12.068 -4.373 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -7.393 -12.457 -5.926 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -6.504 -13.730 -6.738 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -8.135 -14.658 -5.077 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -6.488 -15.103 -4.679 1.00 3.19 H new