USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 938 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 75 MET CE :methyl -176:sc= -4.02! (180deg=-2.86) USER MOD Set 1.2: A 110 ASN : amide:sc= -2.92 K(o=-7.3,f=-12!) USER MOD Set 1.3: A 112 ASN : amide:sc= -0.384 K(o=-7.3,f=-9.5) USER MOD Set 2.1: A 63 GLN :FLIP amide:sc= -0.0961 F(o=-1.2,f=-0.096) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -158:sc= 0 (180deg=0) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -3! C(o=-2.6!,f=-19!) USER MOD Set 3.2: A 60 SER OG : rot -163:sc=-0.00273 USER MOD Set 3.3: A 90 THR OG1 : rot 112:sc= -2.09! USER MOD Set 3.4: A 92 SER OG : rot -158:sc= 1.25! USER MOD Set 3.5: A 105 THR OG1 : rot 154:sc= 1.22 USER MOD Set 4.1: A 3 MET CE :methyl -164:sc= -0.193 (180deg=-0.616) USER MOD Set 4.2: A 5 ASN : amide:sc= -1.87 K(o=-2.1,f=-11!) USER MOD Set 4.3: A 36 GLN : amide:sc= 0 K(o=-2.1,f=-3.8) USER MOD Single : A 1 GLY N :NH3+ -171:sc= -0.0158 (180deg=-0.121) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -137:sc= -2.28! USER MOD Single : A 17 ASN : amide:sc= -4.87! C(o=-4.9!,f=-18!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-3.3!) USER MOD Single : A 29 CYS SG : rot 73:sc= -3.71 USER MOD Single : A 32 THR OG1 : rot 73:sc= 0.807 USER MOD Single : A 35 TYR OH : rot 150:sc= 0.0294 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.243 (180deg=-1.1) USER MOD Single : A 44 ASN : amide:sc= -4.15! C(o=-4.1!,f=-6.1!) USER MOD Single : A 49 CYS SG : rot -56:sc= -2.42 USER MOD Single : A 50 HIS : no HD1:sc= -3! C(o=-3!,f=-7!) USER MOD Single : A 54 GLN : amide:sc= -2.73! C(o=-2.7!,f=-6.7!) USER MOD Single : A 55 GLN : amide:sc= 0.112 X(o=0.11,f=-0.092) USER MOD Single : A 62 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.74) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 57:sc= -3.97! USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -0.0306 (180deg=-0.25) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0114 F(o=-1.3!,f=-0.011) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.45 F(o=-3.3!,f=-0.45) USER MOD Single : A 88 MET CE :methyl 133:sc= -8.69! (180deg=-12!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -1.85! C(o=-4.3!,f=-1.8!) USER MOD Single : A 94 THR OG1 : rot 15:sc= 0.0465! USER MOD Single : A 96 GLN : amide:sc=-0.00746 X(o=-0.0075,f=-0.31) USER MOD Single : A 97 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.0016) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 40:sc= 1.08 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 16:sc= 0.738 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 116 SER OG : rot 180:sc= 0.46 USER MOD Single : A 117 SER OG : rot 180:sc= -0.137 USER MOD Single : A 118 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.920 -14.747 -5.596 1.00 0.00 N ATOM 2 CA GLY A 1 -19.866 -16.228 -5.738 1.00 0.00 C ATOM 3 C GLY A 1 -18.459 -16.737 -5.972 1.00 0.00 C ATOM 4 O GLY A 1 -18.109 -17.837 -5.543 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.872 -14.462 -5.288 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.221 -14.440 -4.890 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.705 -14.302 -6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.272 -16.691 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.502 -16.534 -6.568 1.00 0.00 H new ATOM 10 N ALA A 2 -17.648 -15.935 -6.656 1.00 0.00 N ATOM 11 CA ALA A 2 -16.269 -16.308 -6.947 1.00 0.00 C ATOM 12 C ALA A 2 -15.296 -15.529 -6.070 1.00 0.00 C ATOM 13 O ALA A 2 -14.243 -16.040 -5.688 1.00 0.00 O ATOM 14 CB ALA A 2 -15.959 -16.078 -8.417 1.00 0.00 C ATOM 0 H ALA A 2 -17.923 -15.022 -7.019 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.150 -17.368 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.926 -16.361 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.628 -16.683 -9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.101 -15.025 -8.658 1.00 0.00 H new ATOM 20 N MET A 3 -15.655 -14.287 -5.755 1.00 0.00 N ATOM 21 CA MET A 3 -14.813 -13.437 -4.923 1.00 0.00 C ATOM 22 C MET A 3 -15.279 -13.456 -3.471 1.00 0.00 C ATOM 23 O MET A 3 -16.426 -13.123 -3.172 1.00 0.00 O ATOM 24 CB MET A 3 -14.818 -12.001 -5.454 1.00 0.00 C ATOM 25 CG MET A 3 -14.206 -11.864 -6.838 1.00 0.00 C ATOM 26 SD MET A 3 -12.486 -12.402 -6.896 1.00 0.00 S ATOM 27 CE MET A 3 -11.733 -11.266 -5.733 1.00 0.00 C ATOM 0 H MET A 3 -16.523 -13.849 -6.064 1.00 0.00 H new ATOM 0 HA MET A 3 -13.797 -13.829 -4.962 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.845 -11.636 -5.482 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.272 -11.363 -4.759 1.00 0.00 H new ATOM 0 HG2 MET A 3 -14.790 -12.450 -7.548 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.268 -10.823 -7.156 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.651 -11.275 -5.865 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.112 -10.260 -5.910 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.977 -11.572 -4.716 1.00 0.00 H new ATOM 37 N ASP A 4 -14.379 -13.850 -2.575 1.00 0.00 N ATOM 38 CA ASP A 4 -14.690 -13.913 -1.152 1.00 0.00 C ATOM 39 C ASP A 4 -13.413 -13.792 -0.324 1.00 0.00 C ATOM 40 O ASP A 4 -13.151 -14.610 0.559 1.00 0.00 O ATOM 41 CB ASP A 4 -15.414 -15.221 -0.824 1.00 0.00 C ATOM 42 CG ASP A 4 -15.937 -15.256 0.598 1.00 0.00 C ATOM 43 OD1 ASP A 4 -16.961 -14.597 0.871 1.00 0.00 O ATOM 44 OD2 ASP A 4 -15.320 -15.943 1.441 1.00 0.00 O ATOM 0 H ASP A 4 -13.427 -14.131 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.347 -13.080 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.245 -15.356 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.732 -16.058 -0.977 1.00 0.00 H new ATOM 49 N ASN A 5 -12.621 -12.766 -0.619 1.00 0.00 N ATOM 50 CA ASN A 5 -11.369 -12.536 0.092 1.00 0.00 C ATOM 51 C ASN A 5 -11.443 -11.272 0.945 1.00 0.00 C ATOM 52 O ASN A 5 -10.571 -11.022 1.777 1.00 0.00 O ATOM 53 CB ASN A 5 -10.206 -12.430 -0.901 1.00 0.00 C ATOM 54 CG ASN A 5 -10.444 -11.382 -1.974 1.00 0.00 C ATOM 55 OD1 ASN A 5 -11.191 -10.426 -1.772 1.00 0.00 O ATOM 56 ND2 ASN A 5 -9.799 -11.556 -3.124 1.00 0.00 N ATOM 0 H ASN A 5 -12.825 -12.080 -1.346 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.199 -13.385 0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.292 -12.188 -0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.048 -13.399 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.915 -10.882 -3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.189 -12.364 -3.249 1.00 0.00 H new ATOM 63 N VAL A 6 -12.489 -10.479 0.731 1.00 0.00 N ATOM 64 CA VAL A 6 -12.674 -9.239 1.472 1.00 0.00 C ATOM 65 C VAL A 6 -12.769 -9.472 2.981 1.00 0.00 C ATOM 66 O VAL A 6 -11.827 -9.165 3.709 1.00 0.00 O ATOM 67 CB VAL A 6 -13.919 -8.459 0.983 1.00 0.00 C ATOM 68 CG1 VAL A 6 -15.093 -9.397 0.748 1.00 0.00 C ATOM 69 CG2 VAL A 6 -14.295 -7.361 1.971 1.00 0.00 C ATOM 0 H VAL A 6 -13.222 -10.675 0.049 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.786 -8.638 1.278 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.667 -7.989 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.954 -8.823 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.824 -10.134 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -15.344 -9.906 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.172 -6.827 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.519 -7.805 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.463 -6.664 2.074 1.00 0.00 H new ATOM 79 N CYS A 7 -13.896 -10.019 3.450 1.00 0.00 N ATOM 80 CA CYS A 7 -14.088 -10.239 4.882 1.00 0.00 C ATOM 81 C CYS A 7 -13.714 -8.965 5.630 1.00 0.00 C ATOM 82 O CYS A 7 -13.191 -9.004 6.745 1.00 0.00 O ATOM 83 CB CYS A 7 -13.236 -11.414 5.367 1.00 0.00 C ATOM 84 SG CYS A 7 -13.676 -13.002 4.619 1.00 0.00 S ATOM 0 H CYS A 7 -14.678 -10.313 2.865 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.133 -10.484 5.075 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -12.188 -11.202 5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.331 -11.496 6.450 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.900 -13.933 5.089 1.00 0.00 H new ATOM 90 N GLN A 8 -14.002 -7.838 4.983 1.00 0.00 N ATOM 91 CA GLN A 8 -13.682 -6.514 5.500 1.00 0.00 C ATOM 92 C GLN A 8 -12.173 -6.341 5.607 1.00 0.00 C ATOM 93 O GLN A 8 -11.450 -7.284 5.927 1.00 0.00 O ATOM 94 CB GLN A 8 -14.336 -6.247 6.846 1.00 0.00 C ATOM 95 CG GLN A 8 -15.802 -6.637 6.899 1.00 0.00 C ATOM 96 CD GLN A 8 -16.407 -6.441 8.275 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.932 -5.374 8.589 1.00 0.00 O ATOM 98 NE2 GLN A 8 -16.335 -7.476 9.105 1.00 0.00 N ATOM 0 H GLN A 8 -14.469 -7.820 4.076 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.083 -5.786 4.794 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.795 -6.794 7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.242 -5.187 7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.359 -6.044 6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.907 -7.681 6.605 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.890 -8.343 8.802 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.725 -7.404 10.045 1.00 0.00 H new ATOM 107 N PRO A 9 -11.678 -5.127 5.339 1.00 0.00 N ATOM 108 CA PRO A 9 -10.260 -4.830 5.374 1.00 0.00 C ATOM 109 C PRO A 9 -9.769 -4.335 6.732 1.00 0.00 C ATOM 110 O PRO A 9 -10.404 -4.555 7.762 1.00 0.00 O ATOM 111 CB PRO A 9 -10.154 -3.710 4.360 1.00 0.00 C ATOM 112 CG PRO A 9 -11.405 -2.938 4.559 1.00 0.00 C ATOM 113 CD PRO A 9 -12.460 -3.941 4.969 1.00 0.00 C ATOM 0 HA PRO A 9 -9.656 -5.714 5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.271 -3.094 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.079 -4.096 3.343 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.274 -2.176 5.327 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.694 -2.422 3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.057 -3.577 5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.151 -4.154 4.153 1.00 0.00 H new ATOM 121 N THR A 10 -8.628 -3.646 6.691 1.00 0.00 N ATOM 122 CA THR A 10 -7.978 -3.074 7.869 1.00 0.00 C ATOM 123 C THR A 10 -6.570 -2.635 7.488 1.00 0.00 C ATOM 124 O THR A 10 -6.154 -1.506 7.746 1.00 0.00 O ATOM 125 CB THR A 10 -7.901 -4.079 9.041 1.00 0.00 C ATOM 126 OG1 THR A 10 -7.054 -3.563 10.075 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.378 -5.426 8.576 1.00 0.00 C ATOM 0 H THR A 10 -8.122 -3.467 5.824 1.00 0.00 H new ATOM 0 HA THR A 10 -8.574 -2.226 8.204 1.00 0.00 H new ATOM 0 HB THR A 10 -8.909 -4.219 9.431 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.012 -4.205 10.814 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.335 -6.112 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.044 -5.831 7.814 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.379 -5.304 8.157 1.00 0.00 H new ATOM 135 N GLU A 11 -5.856 -3.559 6.864 1.00 0.00 N ATOM 136 CA GLU A 11 -4.500 -3.346 6.384 1.00 0.00 C ATOM 137 C GLU A 11 -4.119 -4.508 5.498 1.00 0.00 C ATOM 138 O GLU A 11 -4.395 -5.662 5.827 1.00 0.00 O ATOM 139 CB GLU A 11 -3.505 -3.224 7.532 1.00 0.00 C ATOM 140 CG GLU A 11 -3.506 -4.422 8.459 1.00 0.00 C ATOM 141 CD GLU A 11 -2.444 -4.332 9.536 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.691 -3.662 10.560 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.363 -4.933 9.355 1.00 0.00 O ATOM 0 H GLU A 11 -6.210 -4.496 6.673 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.469 -2.409 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.504 -3.092 7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.735 -2.328 8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.486 -4.512 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.348 -5.328 7.874 1.00 0.00 H new ATOM 150 N PHE A 12 -3.495 -4.218 4.376 1.00 0.00 N ATOM 151 CA PHE A 12 -3.101 -5.278 3.471 1.00 0.00 C ATOM 152 C PHE A 12 -1.609 -5.234 3.227 1.00 0.00 C ATOM 153 O PHE A 12 -1.046 -4.195 2.880 1.00 0.00 O ATOM 154 CB PHE A 12 -3.901 -5.232 2.161 1.00 0.00 C ATOM 155 CG PHE A 12 -3.500 -4.161 1.186 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.510 -4.400 0.248 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.138 -2.929 1.182 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.162 -3.435 -0.675 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.789 -1.956 0.264 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.799 -2.213 -0.667 1.00 0.00 C ATOM 0 H PHE A 12 -3.253 -3.275 4.072 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.335 -6.233 3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.809 -6.199 1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.955 -5.098 2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.004 -5.354 0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.916 -2.728 1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.391 -3.637 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.288 -0.998 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.525 -1.456 -1.387 1.00 0.00 H new ATOM 170 N ILE A 13 -0.974 -6.374 3.429 1.00 0.00 N ATOM 171 CA ILE A 13 0.458 -6.485 3.262 1.00 0.00 C ATOM 172 C ILE A 13 0.834 -6.645 1.803 1.00 0.00 C ATOM 173 O ILE A 13 0.652 -7.710 1.220 1.00 0.00 O ATOM 174 CB ILE A 13 1.018 -7.681 4.043 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.551 -7.640 5.498 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.532 -7.684 3.960 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.458 -9.008 6.136 1.00 0.00 C ATOM 0 H ILE A 13 -1.434 -7.240 3.711 1.00 0.00 H new ATOM 0 HA ILE A 13 0.889 -5.561 3.649 1.00 0.00 H new ATOM 0 HB ILE A 13 0.642 -8.603 3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.239 -7.023 6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.425 -7.158 5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.925 -8.535 4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.839 -7.759 2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.922 -6.760 4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.121 -8.906 7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.252 -9.621 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.438 -9.484 6.120 1.00 0.00 H new ATOM 189 N SER A 14 1.351 -5.583 1.214 1.00 0.00 N ATOM 190 CA SER A 14 1.773 -5.633 -0.170 1.00 0.00 C ATOM 191 C SER A 14 3.267 -5.420 -0.254 1.00 0.00 C ATOM 192 O SER A 14 3.801 -4.440 0.264 1.00 0.00 O ATOM 193 CB SER A 14 1.049 -4.573 -0.995 1.00 0.00 C ATOM 194 OG SER A 14 0.888 -4.993 -2.334 1.00 0.00 O ATOM 0 H SER A 14 1.488 -4.681 1.670 1.00 0.00 H new ATOM 0 HA SER A 14 1.522 -6.613 -0.575 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.073 -4.369 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.612 -3.640 -0.968 1.00 0.00 H new ATOM 0 HG SER A 14 1.084 -4.246 -2.937 1.00 0.00 H new ATOM 200 N ARG A 15 3.932 -6.344 -0.914 1.00 0.00 N ATOM 201 CA ARG A 15 5.358 -6.263 -1.095 1.00 0.00 C ATOM 202 C ARG A 15 5.631 -5.615 -2.430 1.00 0.00 C ATOM 203 O ARG A 15 4.773 -5.632 -3.310 1.00 0.00 O ATOM 204 CB ARG A 15 5.989 -7.649 -1.018 1.00 0.00 C ATOM 205 CG ARG A 15 6.117 -8.169 0.403 1.00 0.00 C ATOM 206 CD ARG A 15 6.718 -9.564 0.443 1.00 0.00 C ATOM 207 NE ARG A 15 5.812 -10.566 -0.114 1.00 0.00 N ATOM 208 CZ ARG A 15 5.486 -11.694 0.511 1.00 0.00 C ATOM 209 NH1 ARG A 15 5.983 -11.960 1.712 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.659 -12.557 -0.063 1.00 0.00 N ATOM 0 H ARG A 15 3.499 -7.166 -1.336 1.00 0.00 H new ATOM 0 HA ARG A 15 5.802 -5.662 -0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.389 -8.347 -1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.977 -7.617 -1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.739 -7.489 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.134 -8.183 0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.654 -9.572 -0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.959 -9.826 1.473 1.00 0.00 H new ATOM 0 HE ARG A 15 5.407 -10.391 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.617 -11.298 2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.731 -12.826 2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.272 -12.356 -0.985 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.410 -13.422 0.418 1.00 0.00 H new ATOM 224 N HIS A 16 6.803 -5.032 -2.584 1.00 0.00 N ATOM 225 CA HIS A 16 7.132 -4.360 -3.825 1.00 0.00 C ATOM 226 C HIS A 16 8.605 -3.994 -3.881 1.00 0.00 C ATOM 227 O HIS A 16 9.342 -4.198 -2.920 1.00 0.00 O ATOM 228 CB HIS A 16 6.297 -3.088 -3.930 1.00 0.00 C ATOM 229 CG HIS A 16 6.528 -2.156 -2.786 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.764 -1.621 -2.507 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.689 -1.684 -1.831 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.683 -0.862 -1.436 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.435 -0.882 -1.006 1.00 0.00 N ATOM 0 H HIS A 16 7.536 -5.009 -1.875 1.00 0.00 H new ATOM 0 HA HIS A 16 6.916 -5.035 -4.654 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.534 -2.578 -4.864 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.241 -3.353 -3.971 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.613 -1.787 -3.048 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.635 -1.899 -1.738 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.498 -0.316 -0.985 1.00 0.00 H new ATOM 242 N ASN A 17 9.027 -3.451 -5.012 1.00 0.00 N ATOM 243 CA ASN A 17 10.405 -3.018 -5.174 1.00 0.00 C ATOM 244 C ASN A 17 10.526 -1.575 -4.708 1.00 0.00 C ATOM 245 O ASN A 17 9.523 -0.955 -4.362 1.00 0.00 O ATOM 246 CB ASN A 17 10.855 -3.151 -6.630 1.00 0.00 C ATOM 247 CG ASN A 17 9.917 -2.461 -7.598 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.171 -1.558 -7.222 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.960 -2.876 -8.858 1.00 0.00 N ATOM 0 H ASN A 17 8.436 -3.300 -5.830 1.00 0.00 H new ATOM 0 HA ASN A 17 11.053 -3.654 -4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.855 -2.730 -6.737 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.925 -4.207 -6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.359 -2.442 -9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.594 -3.629 -9.126 1.00 0.00 H new ATOM 256 N ILE A 18 11.734 -1.034 -4.692 1.00 0.00 N ATOM 257 CA ILE A 18 11.920 0.342 -4.253 1.00 0.00 C ATOM 258 C ILE A 18 10.972 1.283 -4.994 1.00 0.00 C ATOM 259 O ILE A 18 10.450 2.238 -4.416 1.00 0.00 O ATOM 260 CB ILE A 18 13.361 0.823 -4.468 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.537 2.218 -3.864 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.693 0.820 -5.951 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.355 2.257 -2.364 1.00 0.00 C ATOM 0 H ILE A 18 12.588 -1.516 -4.973 1.00 0.00 H new ATOM 0 HA ILE A 18 11.700 0.360 -3.186 1.00 0.00 H new ATOM 0 HB ILE A 18 14.051 0.144 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.532 2.588 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.821 2.898 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.718 1.163 -6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.590 -0.191 -6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.010 1.486 -6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.494 3.277 -2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.351 1.918 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.089 1.604 -1.891 1.00 0.00 H new ATOM 275 N GLU A 19 10.753 1.002 -6.277 1.00 0.00 N ATOM 276 CA GLU A 19 9.857 1.817 -7.101 1.00 0.00 C ATOM 277 C GLU A 19 8.471 1.827 -6.493 1.00 0.00 C ATOM 278 O GLU A 19 7.747 2.821 -6.555 1.00 0.00 O ATOM 279 CB GLU A 19 9.738 1.246 -8.518 1.00 0.00 C ATOM 280 CG GLU A 19 10.934 1.492 -9.413 1.00 0.00 C ATOM 281 CD GLU A 19 11.321 2.956 -9.490 1.00 0.00 C ATOM 282 OE1 GLU A 19 12.141 3.398 -8.657 1.00 0.00 O ATOM 283 OE2 GLU A 19 10.805 3.661 -10.381 1.00 0.00 O ATOM 0 H GLU A 19 11.182 0.218 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 19 10.274 2.823 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.572 0.171 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.855 1.674 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.782 0.916 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.713 1.127 -10.416 1.00 0.00 H new ATOM 290 N GLY A 20 8.125 0.702 -5.897 1.00 0.00 N ATOM 291 CA GLY A 20 6.823 0.544 -5.298 1.00 0.00 C ATOM 292 C GLY A 20 6.019 -0.521 -6.012 1.00 0.00 C ATOM 293 O GLY A 20 4.939 -0.903 -5.561 1.00 0.00 O ATOM 0 H GLY A 20 8.731 -0.114 -5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.933 0.277 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.287 1.492 -5.332 1.00 0.00 H new ATOM 297 N ILE A 21 6.554 -0.999 -7.138 1.00 0.00 N ATOM 298 CA ILE A 21 5.901 -2.033 -7.917 1.00 0.00 C ATOM 299 C ILE A 21 5.621 -3.250 -7.060 1.00 0.00 C ATOM 300 O ILE A 21 6.540 -3.932 -6.615 1.00 0.00 O ATOM 301 CB ILE A 21 6.760 -2.467 -9.097 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.339 -1.239 -9.816 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.924 -3.341 -10.018 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.336 -0.444 -10.619 1.00 0.00 C ATOM 0 H ILE A 21 7.442 -0.679 -7.525 1.00 0.00 H new ATOM 0 HA ILE A 21 4.967 -1.610 -8.287 1.00 0.00 H new ATOM 0 HB ILE A 21 7.611 -3.055 -8.752 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.793 -0.582 -9.074 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.137 -1.568 -10.481 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.529 -3.658 -10.867 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.578 -4.218 -9.472 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.065 -2.774 -10.376 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.836 0.402 -11.090 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.899 -1.081 -11.388 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.549 -0.079 -9.959 1.00 0.00 H new ATOM 316 N PHE A 22 4.350 -3.540 -6.888 1.00 0.00 N ATOM 317 CA PHE A 22 3.917 -4.640 -6.049 1.00 0.00 C ATOM 318 C PHE A 22 4.401 -5.999 -6.532 1.00 0.00 C ATOM 319 O PHE A 22 3.923 -6.528 -7.534 1.00 0.00 O ATOM 320 CB PHE A 22 2.402 -4.640 -5.976 1.00 0.00 C ATOM 321 CG PHE A 22 1.835 -3.542 -5.117 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.434 -3.178 -3.918 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.692 -2.878 -5.510 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.893 -2.170 -3.139 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.147 -1.879 -4.739 1.00 0.00 C ATOM 326 CZ PHE A 22 0.746 -1.523 -3.555 1.00 0.00 C ATOM 0 H PHE A 22 3.587 -3.022 -7.324 1.00 0.00 H new ATOM 0 HA PHE A 22 4.360 -4.484 -5.065 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.999 -4.544 -6.984 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.066 -5.602 -5.588 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.329 -3.686 -3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.216 -3.148 -6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.366 -1.890 -2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.751 -1.375 -5.064 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.320 -0.737 -2.949 1.00 0.00 H new ATOM 336 N THR A 23 5.353 -6.561 -5.804 1.00 0.00 N ATOM 337 CA THR A 23 5.867 -7.881 -6.106 1.00 0.00 C ATOM 338 C THR A 23 4.984 -8.910 -5.405 1.00 0.00 C ATOM 339 O THR A 23 5.156 -10.119 -5.552 1.00 0.00 O ATOM 340 CB THR A 23 7.327 -8.032 -5.650 1.00 0.00 C ATOM 341 OG1 THR A 23 7.421 -7.864 -4.231 1.00 0.00 O ATOM 342 CG2 THR A 23 8.199 -7.003 -6.352 1.00 0.00 C ATOM 0 H THR A 23 5.786 -6.117 -4.994 1.00 0.00 H new ATOM 0 HA THR A 23 5.848 -8.036 -7.185 1.00 0.00 H new ATOM 0 HB THR A 23 7.675 -9.032 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.355 -7.964 -3.951 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.232 -7.117 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.143 -7.153 -7.430 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.848 -6.001 -6.106 1.00 0.00 H new ATOM 350 N PHE A 24 4.030 -8.377 -4.638 1.00 0.00 N ATOM 351 CA PHE A 24 3.062 -9.164 -3.889 1.00 0.00 C ATOM 352 C PHE A 24 2.022 -8.236 -3.271 1.00 0.00 C ATOM 353 O PHE A 24 2.310 -7.080 -2.976 1.00 0.00 O ATOM 354 CB PHE A 24 3.734 -9.988 -2.786 1.00 0.00 C ATOM 355 CG PHE A 24 2.759 -10.535 -1.772 1.00 0.00 C ATOM 356 CD1 PHE A 24 2.122 -11.747 -1.986 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.465 -9.826 -0.613 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.215 -12.244 -1.066 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.557 -10.317 0.306 1.00 0.00 C ATOM 360 CZ PHE A 24 0.932 -11.525 0.080 1.00 0.00 C ATOM 0 H PHE A 24 3.911 -7.371 -4.522 1.00 0.00 H new ATOM 0 HA PHE A 24 2.584 -9.857 -4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.278 -10.816 -3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.469 -9.367 -2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.336 -12.311 -2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.952 -8.880 -0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.729 -13.192 -1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.337 -9.754 1.201 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.222 -11.909 0.798 1.00 0.00 H new ATOM 370 N VAL A 25 0.810 -8.742 -3.106 1.00 0.00 N ATOM 371 CA VAL A 25 -0.275 -7.979 -2.502 1.00 0.00 C ATOM 372 C VAL A 25 -1.191 -8.915 -1.737 1.00 0.00 C ATOM 373 O VAL A 25 -1.666 -9.917 -2.266 1.00 0.00 O ATOM 374 CB VAL A 25 -1.103 -7.184 -3.541 1.00 0.00 C ATOM 375 CG1 VAL A 25 -1.886 -6.076 -2.863 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.221 -6.607 -4.632 1.00 0.00 C ATOM 0 H VAL A 25 0.550 -9.688 -3.385 1.00 0.00 H new ATOM 0 HA VAL A 25 0.181 -7.253 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.802 -7.880 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.462 -5.528 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.564 -6.508 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.196 -5.395 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.836 -6.056 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.513 -5.934 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.295 -7.416 -5.149 1.00 0.00 H new ATOM 386 N ASP A 26 -1.403 -8.591 -0.480 1.00 0.00 N ATOM 387 CA ASP A 26 -2.254 -9.385 0.384 1.00 0.00 C ATOM 388 C ASP A 26 -3.724 -9.172 0.007 1.00 0.00 C ATOM 389 O ASP A 26 -4.168 -8.042 -0.183 1.00 0.00 O ATOM 390 CB ASP A 26 -1.958 -9.010 1.830 1.00 0.00 C ATOM 391 CG ASP A 26 -3.041 -9.443 2.796 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.252 -10.664 2.940 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.672 -8.561 3.414 1.00 0.00 O ATOM 0 H ASP A 26 -0.993 -7.774 -0.028 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.051 -10.449 0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.012 -9.462 2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.830 -7.930 1.899 1.00 0.00 H new ATOM 398 N HIS A 27 -4.461 -10.280 -0.108 1.00 0.00 N ATOM 399 CA HIS A 27 -5.872 -10.269 -0.523 1.00 0.00 C ATOM 400 C HIS A 27 -6.730 -9.209 0.174 1.00 0.00 C ATOM 401 O HIS A 27 -7.788 -8.851 -0.336 1.00 0.00 O ATOM 402 CB HIS A 27 -6.485 -11.658 -0.328 1.00 0.00 C ATOM 403 CG HIS A 27 -6.818 -11.987 1.097 1.00 0.00 C ATOM 404 ND1 HIS A 27 -7.943 -12.697 1.461 1.00 0.00 N ATOM 405 CD2 HIS A 27 -6.164 -11.709 2.250 1.00 0.00 C ATOM 406 CE1 HIS A 27 -7.967 -12.840 2.774 1.00 0.00 C ATOM 407 NE2 HIS A 27 -6.899 -12.250 3.276 1.00 0.00 N ATOM 0 H HIS A 27 -4.098 -11.214 0.084 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.870 -9.997 -1.579 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.392 -11.730 -0.928 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.790 -12.406 -0.709 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.237 -11.163 2.345 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.731 -13.353 3.340 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.658 -12.203 4.266 1.00 0.00 H new ATOM 416 N ARG A 28 -6.302 -8.715 1.328 1.00 0.00 N ATOM 417 CA ARG A 28 -7.074 -7.690 2.030 1.00 0.00 C ATOM 418 C ARG A 28 -7.247 -6.451 1.153 1.00 0.00 C ATOM 419 O ARG A 28 -8.205 -5.695 1.303 1.00 0.00 O ATOM 420 CB ARG A 28 -6.390 -7.300 3.335 1.00 0.00 C ATOM 421 CG ARG A 28 -6.667 -8.264 4.471 1.00 0.00 C ATOM 422 CD ARG A 28 -8.040 -8.028 5.080 1.00 0.00 C ATOM 423 NE ARG A 28 -8.219 -8.770 6.327 1.00 0.00 N ATOM 424 CZ ARG A 28 -9.195 -9.652 6.530 1.00 0.00 C ATOM 425 NH1 ARG A 28 -10.068 -9.914 5.568 1.00 0.00 N ATOM 426 NH2 ARG A 28 -9.294 -10.275 7.696 1.00 0.00 N ATOM 0 H ARG A 28 -5.440 -8.999 1.794 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.056 -8.106 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.314 -7.244 3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.720 -6.303 3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.602 -9.288 4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.903 -8.151 5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.175 -6.963 5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.809 -8.325 4.367 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.558 -8.602 7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.993 -9.439 4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.815 -10.591 5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.622 -10.078 8.438 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.042 -10.951 7.851 1.00 0.00 H new ATOM 440 N CYS A 29 -6.305 -6.270 0.236 1.00 0.00 N ATOM 441 CA CYS A 29 -6.282 -5.133 -0.670 1.00 0.00 C ATOM 442 C CYS A 29 -7.597 -4.909 -1.418 1.00 0.00 C ATOM 443 O CYS A 29 -7.901 -3.784 -1.792 1.00 0.00 O ATOM 444 CB CYS A 29 -5.153 -5.324 -1.671 1.00 0.00 C ATOM 445 SG CYS A 29 -5.339 -6.789 -2.705 1.00 0.00 S ATOM 0 H CYS A 29 -5.528 -6.917 0.100 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.126 -4.244 -0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.094 -4.444 -2.311 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.208 -5.389 -1.131 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.286 -6.590 -3.573 1.00 0.00 H new ATOM 451 N VAL A 30 -8.372 -5.957 -1.669 1.00 0.00 N ATOM 452 CA VAL A 30 -9.631 -5.771 -2.384 1.00 0.00 C ATOM 453 C VAL A 30 -10.677 -5.178 -1.445 1.00 0.00 C ATOM 454 O VAL A 30 -11.585 -4.471 -1.869 1.00 0.00 O ATOM 455 CB VAL A 30 -10.153 -7.079 -3.025 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.140 -8.203 -2.882 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.484 -7.484 -2.430 1.00 0.00 C ATOM 0 H VAL A 30 -8.162 -6.918 -1.398 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.441 -5.078 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.299 -6.888 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.535 -9.109 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.211 -7.920 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.947 -8.387 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.827 -8.406 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.370 -7.643 -1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.216 -6.695 -2.604 1.00 0.00 H new ATOM 467 N ALA A 31 -10.560 -5.502 -0.170 1.00 0.00 N ATOM 468 CA ALA A 31 -11.466 -4.972 0.832 1.00 0.00 C ATOM 469 C ALA A 31 -11.032 -3.573 1.223 1.00 0.00 C ATOM 470 O ALA A 31 -11.845 -2.718 1.574 1.00 0.00 O ATOM 471 CB ALA A 31 -11.464 -5.864 2.054 1.00 0.00 C ATOM 0 H ALA A 31 -9.845 -6.131 0.196 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.474 -4.937 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.147 -5.459 2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.787 -6.867 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.457 -5.910 2.469 1.00 0.00 H new ATOM 477 N THR A 32 -9.730 -3.363 1.127 1.00 0.00 N ATOM 478 CA THR A 32 -9.102 -2.109 1.503 1.00 0.00 C ATOM 479 C THR A 32 -9.177 -1.051 0.412 1.00 0.00 C ATOM 480 O THR A 32 -9.733 0.027 0.616 1.00 0.00 O ATOM 481 CB THR A 32 -7.626 -2.367 1.806 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.484 -3.550 2.602 1.00 0.00 O ATOM 483 CG2 THR A 32 -7.013 -1.198 2.530 1.00 0.00 C ATOM 0 H THR A 32 -9.074 -4.064 0.783 1.00 0.00 H new ATOM 0 HA THR A 32 -9.642 -1.733 2.372 1.00 0.00 H new ATOM 0 HB THR A 32 -7.106 -2.502 0.857 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.658 -4.340 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.963 -1.406 2.734 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.092 -0.304 1.911 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.540 -1.035 3.470 1.00 0.00 H new ATOM 491 N VAL A 33 -8.615 -1.370 -0.743 1.00 0.00 N ATOM 492 CA VAL A 33 -8.588 -0.444 -1.858 1.00 0.00 C ATOM 493 C VAL A 33 -9.388 -0.967 -3.038 1.00 0.00 C ATOM 494 O VAL A 33 -9.286 -0.451 -4.145 1.00 0.00 O ATOM 495 CB VAL A 33 -7.141 -0.160 -2.286 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.411 0.546 -1.160 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.430 -1.447 -2.644 1.00 0.00 C ATOM 0 H VAL A 33 -8.170 -2.268 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.050 0.485 -1.524 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.151 0.480 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.384 0.748 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.914 1.486 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.410 -0.088 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.406 -1.225 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.419 -2.109 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.952 -1.935 -3.467 1.00 0.00 H new ATOM 507 N GLY A 34 -10.167 -2.012 -2.796 1.00 0.00 N ATOM 508 CA GLY A 34 -11.001 -2.575 -3.852 1.00 0.00 C ATOM 509 C GLY A 34 -10.211 -3.371 -4.868 1.00 0.00 C ATOM 510 O GLY A 34 -10.725 -4.320 -5.461 1.00 0.00 O ATOM 0 H GLY A 34 -10.240 -2.482 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.759 -3.218 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.528 -1.768 -4.361 1.00 0.00 H new ATOM 514 N TYR A 35 -8.962 -2.984 -5.066 1.00 0.00 N ATOM 515 CA TYR A 35 -8.091 -3.642 -6.019 1.00 0.00 C ATOM 516 C TYR A 35 -7.637 -5.006 -5.529 1.00 0.00 C ATOM 517 O TYR A 35 -6.988 -5.115 -4.490 1.00 0.00 O ATOM 518 CB TYR A 35 -6.878 -2.770 -6.271 1.00 0.00 C ATOM 519 CG TYR A 35 -7.234 -1.472 -6.925 1.00 0.00 C ATOM 520 CD1 TYR A 35 -7.935 -1.447 -8.119 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.874 -0.272 -6.347 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.270 -0.262 -8.720 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.199 0.925 -6.941 1.00 0.00 C ATOM 524 CZ TYR A 35 -7.899 0.929 -8.130 1.00 0.00 C ATOM 525 OH TYR A 35 -8.227 2.123 -8.731 1.00 0.00 O ATOM 0 H TYR A 35 -8.526 -2.206 -4.571 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.655 -3.791 -6.940 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.374 -2.571 -5.325 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.171 -3.309 -6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.223 -2.378 -8.585 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.329 -0.273 -5.415 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.821 -0.260 -9.649 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.908 1.857 -6.479 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.345 2.813 -8.045 1.00 0.00 H new ATOM 535 N GLN A 36 -7.984 -6.046 -6.277 1.00 0.00 N ATOM 536 CA GLN A 36 -7.570 -7.390 -5.931 1.00 0.00 C ATOM 537 C GLN A 36 -6.044 -7.435 -5.900 1.00 0.00 C ATOM 538 O GLN A 36 -5.400 -6.571 -6.490 1.00 0.00 O ATOM 539 CB GLN A 36 -8.115 -8.386 -6.956 1.00 0.00 C ATOM 540 CG GLN A 36 -9.625 -8.310 -7.131 1.00 0.00 C ATOM 541 CD GLN A 36 -10.156 -9.356 -8.092 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.585 -10.438 -8.227 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.256 -9.037 -8.764 1.00 0.00 N ATOM 0 H GLN A 36 -8.549 -5.980 -7.123 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.964 -7.663 -4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.636 -8.204 -7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.843 -9.396 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.106 -8.436 -6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.895 -7.318 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.696 -8.128 -8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.661 -9.701 -9.424 1.00 0.00 H new ATOM 552 N PRO A 37 -5.433 -8.402 -5.202 1.00 0.00 N ATOM 553 CA PRO A 37 -3.985 -8.484 -5.141 1.00 0.00 C ATOM 554 C PRO A 37 -3.364 -8.384 -6.523 1.00 0.00 C ATOM 555 O PRO A 37 -2.333 -7.744 -6.701 1.00 0.00 O ATOM 556 CB PRO A 37 -3.701 -9.843 -4.525 1.00 0.00 C ATOM 557 CG PRO A 37 -4.968 -10.317 -3.909 1.00 0.00 C ATOM 558 CD PRO A 37 -6.091 -9.456 -4.419 1.00 0.00 C ATOM 0 HA PRO A 37 -3.559 -7.665 -4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.355 -10.545 -5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.913 -9.769 -3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.146 -11.362 -4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.907 -10.258 -2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.782 -10.032 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.670 -9.035 -3.597 1.00 0.00 H new ATOM 566 N GLN A 38 -3.999 -9.025 -7.498 1.00 0.00 N ATOM 567 CA GLN A 38 -3.522 -8.989 -8.874 1.00 0.00 C ATOM 568 C GLN A 38 -3.749 -7.605 -9.469 1.00 0.00 C ATOM 569 O GLN A 38 -2.996 -7.147 -10.328 1.00 0.00 O ATOM 570 CB GLN A 38 -4.234 -10.044 -9.713 1.00 0.00 C ATOM 571 CG GLN A 38 -5.739 -9.971 -9.590 1.00 0.00 C ATOM 572 CD GLN A 38 -6.429 -11.257 -9.997 1.00 0.00 C ATOM 573 OE1 GLN A 38 -6.631 -12.153 -9.178 1.00 0.00 O ATOM 574 NE2 GLN A 38 -6.798 -11.353 -11.268 1.00 0.00 N ATOM 0 H GLN A 38 -4.846 -9.576 -7.360 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.454 -9.206 -8.878 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.953 -9.921 -10.759 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.896 -11.034 -9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.003 -9.734 -8.559 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.110 -9.154 -10.210 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.610 -10.585 -11.913 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.269 -12.194 -11.600 1.00 0.00 H new ATOM 583 N GLU A 39 -4.801 -6.947 -8.991 1.00 0.00 N ATOM 584 CA GLU A 39 -5.156 -5.609 -9.437 1.00 0.00 C ATOM 585 C GLU A 39 -4.115 -4.600 -8.962 1.00 0.00 C ATOM 586 O GLU A 39 -4.132 -3.434 -9.357 1.00 0.00 O ATOM 587 CB GLU A 39 -6.531 -5.242 -8.879 1.00 0.00 C ATOM 588 CG GLU A 39 -7.582 -4.980 -9.941 1.00 0.00 C ATOM 589 CD GLU A 39 -8.969 -5.416 -9.507 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.538 -4.771 -8.604 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.482 -6.406 -10.069 1.00 0.00 O ATOM 0 H GLU A 39 -5.429 -7.328 -8.284 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.186 -5.588 -10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.876 -6.049 -8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.432 -4.354 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.597 -3.916 -10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.309 -5.507 -10.855 1.00 0.00 H new ATOM 598 N LEU A 40 -3.209 -5.067 -8.107 1.00 0.00 N ATOM 599 CA LEU A 40 -2.151 -4.230 -7.559 1.00 0.00 C ATOM 600 C LEU A 40 -0.786 -4.741 -7.998 1.00 0.00 C ATOM 601 O LEU A 40 0.124 -3.966 -8.278 1.00 0.00 O ATOM 602 CB LEU A 40 -2.230 -4.244 -6.033 1.00 0.00 C ATOM 603 CG LEU A 40 -2.971 -3.090 -5.352 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.450 -2.040 -6.344 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.134 -3.648 -4.556 1.00 0.00 C ATOM 0 H LEU A 40 -3.189 -6.032 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.282 -3.213 -7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.708 -5.176 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.212 -4.266 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.272 -2.586 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.969 -1.244 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.594 -1.623 -6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.131 -2.500 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.666 -2.831 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.814 -4.175 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.760 -4.339 -3.801 1.00 0.00 H new ATOM 617 N LEU A 41 -0.662 -6.058 -8.057 1.00 0.00 N ATOM 618 CA LEU A 41 0.578 -6.714 -8.442 1.00 0.00 C ATOM 619 C LEU A 41 1.114 -6.174 -9.761 1.00 0.00 C ATOM 620 O LEU A 41 0.393 -6.097 -10.757 1.00 0.00 O ATOM 621 CB LEU A 41 0.349 -8.224 -8.536 1.00 0.00 C ATOM 622 CG LEU A 41 0.494 -8.982 -7.214 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.473 -10.158 -7.150 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.929 -9.453 -7.030 1.00 0.00 C ATOM 0 H LEU A 41 -1.421 -6.704 -7.839 1.00 0.00 H new ATOM 0 HA LEU A 41 1.327 -6.505 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.651 -8.401 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.055 -8.640 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 41 0.246 -8.301 -6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.349 -10.679 -6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.497 -9.792 -7.233 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.266 -10.845 -7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.017 -9.990 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.203 -10.115 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.596 -8.591 -7.021 1.00 0.00 H new ATOM 636 N GLY A 42 2.388 -5.803 -9.750 1.00 0.00 N ATOM 637 CA GLY A 42 3.023 -5.270 -10.938 1.00 0.00 C ATOM 638 C GLY A 42 2.785 -3.785 -11.097 1.00 0.00 C ATOM 639 O GLY A 42 3.333 -3.153 -12.001 1.00 0.00 O ATOM 0 H GLY A 42 2.996 -5.863 -8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.095 -5.461 -10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.644 -5.793 -11.816 1.00 0.00 H new ATOM 643 N LYS A 43 1.963 -3.228 -10.216 1.00 0.00 N ATOM 644 CA LYS A 43 1.647 -1.810 -10.255 1.00 0.00 C ATOM 645 C LYS A 43 2.422 -1.049 -9.202 1.00 0.00 C ATOM 646 O LYS A 43 2.609 -1.523 -8.082 1.00 0.00 O ATOM 647 CB LYS A 43 0.158 -1.583 -10.018 1.00 0.00 C ATOM 648 CG LYS A 43 -0.726 -2.458 -10.870 1.00 0.00 C ATOM 649 CD LYS A 43 -2.031 -1.771 -11.218 1.00 0.00 C ATOM 650 CE LYS A 43 -2.578 -2.255 -12.552 1.00 0.00 C ATOM 651 NZ LYS A 43 -1.619 -2.014 -13.665 1.00 0.00 N ATOM 0 H LYS A 43 1.503 -3.741 -9.464 1.00 0.00 H new ATOM 0 HA LYS A 43 1.925 -1.445 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.067 -1.766 -8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.078 -0.538 -10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.199 -2.724 -11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.935 -3.388 -10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.763 -1.960 -10.433 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.877 -0.693 -11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.800 -3.320 -12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.518 -1.746 -12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.143 -1.897 -14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.071 -1.152 -13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.972 -2.824 -13.748 1.00 0.00 H new ATOM 665 N ASN A 44 2.865 0.137 -9.569 1.00 0.00 N ATOM 666 CA ASN A 44 3.597 0.985 -8.648 1.00 0.00 C ATOM 667 C ASN A 44 2.642 1.485 -7.575 1.00 0.00 C ATOM 668 O ASN A 44 1.674 2.180 -7.864 1.00 0.00 O ATOM 669 CB ASN A 44 4.229 2.162 -9.396 1.00 0.00 C ATOM 670 CG ASN A 44 5.347 2.820 -8.622 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.110 3.645 -7.744 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.575 2.473 -8.969 1.00 0.00 N ATOM 0 H ASN A 44 2.731 0.536 -10.498 1.00 0.00 H new ATOM 0 HA ASN A 44 4.400 0.413 -8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.614 1.812 -10.354 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.460 2.903 -9.613 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.376 2.896 -8.500 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.721 1.782 -9.705 1.00 0.00 H new ATOM 679 N ILE A 45 2.907 1.093 -6.340 1.00 0.00 N ATOM 680 CA ILE A 45 2.083 1.480 -5.212 1.00 0.00 C ATOM 681 C ILE A 45 1.803 2.981 -5.206 1.00 0.00 C ATOM 682 O ILE A 45 0.677 3.410 -4.954 1.00 0.00 O ATOM 683 CB ILE A 45 2.772 1.085 -3.900 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.894 1.416 -2.702 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.105 1.783 -3.793 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.501 1.009 -1.376 1.00 0.00 C ATOM 0 H ILE A 45 3.698 0.499 -6.094 1.00 0.00 H new ATOM 0 HA ILE A 45 1.131 0.957 -5.305 1.00 0.00 H new ATOM 0 HB ILE A 45 2.936 0.007 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.700 2.488 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.931 0.919 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.590 1.499 -2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.736 1.493 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.953 2.862 -3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.821 1.275 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.670 -0.068 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.450 1.526 -1.236 1.00 0.00 H new ATOM 698 N VAL A 46 2.828 3.774 -5.500 1.00 0.00 N ATOM 699 CA VAL A 46 2.683 5.222 -5.506 1.00 0.00 C ATOM 700 C VAL A 46 1.824 5.691 -6.676 1.00 0.00 C ATOM 701 O VAL A 46 1.208 6.752 -6.604 1.00 0.00 O ATOM 702 CB VAL A 46 4.039 5.963 -5.475 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.153 5.024 -5.057 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.347 6.647 -6.799 1.00 0.00 C ATOM 0 H VAL A 46 3.762 3.439 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 46 2.168 5.481 -4.581 1.00 0.00 H new ATOM 0 HB VAL A 46 3.966 6.753 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.099 5.566 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.944 4.631 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.219 4.199 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.309 7.155 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.386 5.902 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.567 7.375 -7.022 1.00 0.00 H new ATOM 714 N GLU A 47 1.813 4.927 -7.771 1.00 0.00 N ATOM 715 CA GLU A 47 0.990 5.288 -8.923 1.00 0.00 C ATOM 716 C GLU A 47 -0.446 5.523 -8.472 1.00 0.00 C ATOM 717 O GLU A 47 -1.173 6.324 -9.059 1.00 0.00 O ATOM 718 CB GLU A 47 1.031 4.203 -9.999 1.00 0.00 C ATOM 719 CG GLU A 47 2.086 4.442 -11.067 1.00 0.00 C ATOM 720 CD GLU A 47 2.026 3.417 -12.182 1.00 0.00 C ATOM 721 OE1 GLU A 47 1.181 3.573 -13.088 1.00 0.00 O ATOM 722 OE2 GLU A 47 2.825 2.456 -12.150 1.00 0.00 O ATOM 0 H GLU A 47 2.355 4.070 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 47 1.392 6.203 -9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.219 3.240 -9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.053 4.139 -10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.954 5.439 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.075 4.418 -10.608 1.00 0.00 H new ATOM 729 N PHE A 48 -0.844 4.814 -7.419 1.00 0.00 N ATOM 730 CA PHE A 48 -2.177 4.967 -6.851 1.00 0.00 C ATOM 731 C PHE A 48 -2.139 6.091 -5.837 1.00 0.00 C ATOM 732 O PHE A 48 -3.095 6.846 -5.677 1.00 0.00 O ATOM 733 CB PHE A 48 -2.636 3.683 -6.164 1.00 0.00 C ATOM 734 CG PHE A 48 -2.745 2.507 -7.082 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.631 1.742 -7.383 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.965 2.163 -7.638 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.739 0.646 -8.227 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.075 1.075 -8.478 1.00 0.00 C ATOM 739 CZ PHE A 48 -2.960 0.319 -8.771 1.00 0.00 C ATOM 0 H PHE A 48 -0.260 4.127 -6.942 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.880 5.191 -7.653 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.937 3.442 -5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.606 3.859 -5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.672 2.000 -6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.841 2.753 -7.411 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.867 0.051 -8.456 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.032 0.816 -8.905 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.045 -0.533 -9.430 1.00 0.00 H new ATOM 749 N CYS A 49 -1.004 6.177 -5.157 1.00 0.00 N ATOM 750 CA CYS A 49 -0.778 7.207 -4.148 1.00 0.00 C ATOM 751 C CYS A 49 -0.965 8.596 -4.740 1.00 0.00 C ATOM 752 O CYS A 49 -0.674 8.823 -5.914 1.00 0.00 O ATOM 753 CB CYS A 49 0.641 7.095 -3.592 1.00 0.00 C ATOM 754 SG CYS A 49 1.111 8.445 -2.484 1.00 0.00 S ATOM 0 H CYS A 49 -0.218 5.540 -5.287 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.504 7.058 -3.349 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.736 6.150 -3.056 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.344 7.062 -4.424 1.00 0.00 H new ATOM 0 HG CYS A 49 0.954 9.582 -3.094 1.00 0.00 H new ATOM 760 N HIS A 50 -1.456 9.524 -3.925 1.00 0.00 N ATOM 761 CA HIS A 50 -1.643 10.895 -4.374 1.00 0.00 C ATOM 762 C HIS A 50 -0.290 11.460 -4.794 1.00 0.00 C ATOM 763 O HIS A 50 0.689 11.286 -4.078 1.00 0.00 O ATOM 764 CB HIS A 50 -2.259 11.742 -3.258 1.00 0.00 C ATOM 765 CG HIS A 50 -2.733 13.094 -3.697 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.918 14.014 -4.323 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.950 13.685 -3.591 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.609 15.109 -4.582 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.844 14.934 -4.150 1.00 0.00 N ATOM 0 H HIS A 50 -1.729 9.352 -2.957 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.326 10.916 -5.223 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.100 11.198 -2.827 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.522 11.869 -2.465 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.836 13.253 -3.149 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.228 15.997 -5.065 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.598 15.617 -4.220 1.00 0.00 H new ATOM 778 N PRO A 51 -0.208 12.123 -5.961 1.00 0.00 N ATOM 779 CA PRO A 51 1.049 12.678 -6.470 1.00 0.00 C ATOM 780 C PRO A 51 1.875 13.404 -5.409 1.00 0.00 C ATOM 781 O PRO A 51 3.024 13.040 -5.153 1.00 0.00 O ATOM 782 CB PRO A 51 0.576 13.643 -7.549 1.00 0.00 C ATOM 783 CG PRO A 51 -0.663 13.015 -8.071 1.00 0.00 C ATOM 784 CD PRO A 51 -1.330 12.401 -6.876 1.00 0.00 C ATOM 0 HA PRO A 51 1.721 11.897 -6.826 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.380 14.634 -7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.324 13.764 -8.333 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.309 13.754 -8.545 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.434 12.261 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.055 13.080 -6.428 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.868 11.490 -7.140 1.00 0.00 H new ATOM 792 N GLU A 52 1.287 14.423 -4.792 1.00 0.00 N ATOM 793 CA GLU A 52 1.973 15.204 -3.770 1.00 0.00 C ATOM 794 C GLU A 52 2.453 14.329 -2.614 1.00 0.00 C ATOM 795 O GLU A 52 3.340 14.720 -1.855 1.00 0.00 O ATOM 796 CB GLU A 52 1.042 16.294 -3.241 1.00 0.00 C ATOM 797 CG GLU A 52 0.608 17.292 -4.302 1.00 0.00 C ATOM 798 CD GLU A 52 -0.279 18.387 -3.746 1.00 0.00 C ATOM 799 OE1 GLU A 52 0.265 19.403 -3.260 1.00 0.00 O ATOM 800 OE2 GLU A 52 -1.517 18.232 -3.794 1.00 0.00 O ATOM 0 H GLU A 52 0.333 14.728 -4.983 1.00 0.00 H new ATOM 0 HA GLU A 52 2.851 15.657 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.157 15.826 -2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.544 16.829 -2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.492 17.741 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.075 16.766 -5.094 1.00 0.00 H new ATOM 807 N ASP A 53 1.864 13.146 -2.484 1.00 0.00 N ATOM 808 CA ASP A 53 2.223 12.223 -1.413 1.00 0.00 C ATOM 809 C ASP A 53 3.169 11.119 -1.882 1.00 0.00 C ATOM 810 O ASP A 53 3.819 10.478 -1.058 1.00 0.00 O ATOM 811 CB ASP A 53 0.969 11.586 -0.815 1.00 0.00 C ATOM 812 CG ASP A 53 0.133 12.574 -0.023 1.00 0.00 C ATOM 813 OD1 ASP A 53 0.594 13.716 0.181 1.00 0.00 O ATOM 814 OD2 ASP A 53 -0.984 12.202 0.395 1.00 0.00 O ATOM 0 H ASP A 53 1.134 12.802 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 53 2.743 12.812 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.363 11.164 -1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.260 10.760 -0.166 1.00 0.00 H new ATOM 819 N GLN A 54 3.249 10.887 -3.193 1.00 0.00 N ATOM 820 CA GLN A 54 4.117 9.842 -3.706 1.00 0.00 C ATOM 821 C GLN A 54 5.555 10.089 -3.282 1.00 0.00 C ATOM 822 O GLN A 54 6.303 9.152 -3.023 1.00 0.00 O ATOM 823 CB GLN A 54 4.029 9.749 -5.224 1.00 0.00 C ATOM 824 CG GLN A 54 2.616 9.757 -5.760 1.00 0.00 C ATOM 825 CD GLN A 54 2.567 9.705 -7.274 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.459 10.211 -7.954 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.520 9.093 -7.809 1.00 0.00 N ATOM 0 H GLN A 54 2.730 11.402 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 54 3.781 8.894 -3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.577 10.584 -5.661 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.525 8.835 -5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.072 8.905 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.105 10.656 -5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.804 8.687 -7.207 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.431 9.028 -8.823 1.00 0.00 H new ATOM 836 N GLN A 55 5.938 11.356 -3.215 1.00 0.00 N ATOM 837 CA GLN A 55 7.288 11.717 -2.810 1.00 0.00 C ATOM 838 C GLN A 55 7.566 11.222 -1.397 1.00 0.00 C ATOM 839 O GLN A 55 8.693 10.861 -1.059 1.00 0.00 O ATOM 840 CB GLN A 55 7.484 13.231 -2.885 1.00 0.00 C ATOM 841 CG GLN A 55 8.902 13.679 -2.573 1.00 0.00 C ATOM 842 CD GLN A 55 9.916 13.125 -3.553 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.208 13.740 -4.579 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.459 11.954 -3.240 1.00 0.00 N ATOM 0 H GLN A 55 5.335 12.149 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 55 7.991 11.242 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.215 13.574 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.798 13.712 -2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.946 14.768 -2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.166 13.362 -1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.187 11.480 -2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.148 11.529 -3.861 1.00 0.00 H new ATOM 853 N LEU A 56 6.519 11.203 -0.582 1.00 0.00 N ATOM 854 CA LEU A 56 6.611 10.759 0.793 1.00 0.00 C ATOM 855 C LEU A 56 6.593 9.241 0.855 1.00 0.00 C ATOM 856 O LEU A 56 7.286 8.630 1.669 1.00 0.00 O ATOM 857 CB LEU A 56 5.446 11.342 1.593 1.00 0.00 C ATOM 858 CG LEU A 56 5.116 10.630 2.902 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.537 11.470 4.096 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.632 10.312 2.960 1.00 0.00 C ATOM 0 H LEU A 56 5.583 11.497 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 56 7.549 11.107 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.669 12.386 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.557 11.333 0.963 1.00 0.00 H new ATOM 0 HG LEU A 56 5.675 9.695 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.292 10.942 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.612 11.648 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.010 12.424 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.405 9.804 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.059 11.237 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.365 9.666 2.123 1.00 0.00 H new ATOM 872 N LEU A 57 5.789 8.643 -0.011 1.00 0.00 N ATOM 873 CA LEU A 57 5.678 7.198 -0.070 1.00 0.00 C ATOM 874 C LEU A 57 7.004 6.595 -0.496 1.00 0.00 C ATOM 875 O LEU A 57 7.581 5.763 0.204 1.00 0.00 O ATOM 876 CB LEU A 57 4.580 6.797 -1.052 1.00 0.00 C ATOM 877 CG LEU A 57 4.222 5.313 -1.045 1.00 0.00 C ATOM 878 CD1 LEU A 57 3.871 4.867 0.362 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.073 5.036 -2.002 1.00 0.00 C ATOM 0 H LEU A 57 5.204 9.139 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 57 5.419 6.821 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.683 7.373 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.893 7.076 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 57 5.087 4.743 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.617 3.807 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.725 5.032 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.018 5.442 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.832 3.973 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.199 5.612 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.363 5.324 -3.012 1.00 0.00 H new ATOM 891 N ARG A 58 7.471 7.024 -1.659 1.00 0.00 N ATOM 892 CA ARG A 58 8.743 6.567 -2.191 1.00 0.00 C ATOM 893 C ARG A 58 9.850 6.844 -1.185 1.00 0.00 C ATOM 894 O ARG A 58 10.763 6.038 -1.018 1.00 0.00 O ATOM 895 CB ARG A 58 9.049 7.268 -3.515 1.00 0.00 C ATOM 896 CG ARG A 58 7.944 7.125 -4.549 1.00 0.00 C ATOM 897 CD ARG A 58 8.224 7.970 -5.781 1.00 0.00 C ATOM 898 NE ARG A 58 7.007 8.289 -6.521 1.00 0.00 N ATOM 899 CZ ARG A 58 7.004 8.753 -7.766 1.00 0.00 C ATOM 900 NH1 ARG A 58 8.147 8.949 -8.409 1.00 0.00 N ATOM 901 NH2 ARG A 58 5.856 9.022 -8.372 1.00 0.00 N ATOM 0 H ARG A 58 6.983 7.693 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 58 8.684 5.494 -2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.222 8.327 -3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.974 6.863 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.847 6.078 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.992 7.424 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.717 8.895 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.915 7.438 -6.435 1.00 0.00 H new ATOM 0 HE ARG A 58 6.110 8.148 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.033 8.743 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.140 9.305 -9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.974 8.873 -7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.855 9.378 -9.328 1.00 0.00 H new ATOM 915 N ASP A 59 9.754 7.991 -0.511 1.00 0.00 N ATOM 916 CA ASP A 59 10.738 8.371 0.497 1.00 0.00 C ATOM 917 C ASP A 59 10.866 7.271 1.524 1.00 0.00 C ATOM 918 O ASP A 59 11.970 6.846 1.862 1.00 0.00 O ATOM 919 CB ASP A 59 10.341 9.678 1.175 1.00 0.00 C ATOM 920 CG ASP A 59 11.328 10.101 2.246 1.00 0.00 C ATOM 921 OD1 ASP A 59 11.156 9.685 3.410 1.00 0.00 O ATOM 922 OD2 ASP A 59 12.274 10.848 1.919 1.00 0.00 O ATOM 0 H ASP A 59 9.005 8.670 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 59 11.700 8.520 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.266 10.465 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.352 9.567 1.620 1.00 0.00 H new ATOM 927 N SER A 60 9.727 6.816 2.019 1.00 0.00 N ATOM 928 CA SER A 60 9.711 5.739 2.989 1.00 0.00 C ATOM 929 C SER A 60 10.520 4.562 2.465 1.00 0.00 C ATOM 930 O SER A 60 11.466 4.117 3.105 1.00 0.00 O ATOM 931 CB SER A 60 8.273 5.310 3.290 1.00 0.00 C ATOM 932 OG SER A 60 8.187 3.911 3.492 1.00 0.00 O ATOM 0 H SER A 60 8.807 7.175 1.765 1.00 0.00 H new ATOM 0 HA SER A 60 10.161 6.092 3.917 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.914 5.831 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.624 5.601 2.465 1.00 0.00 H new ATOM 0 HG SER A 60 7.253 3.626 3.414 1.00 0.00 H new ATOM 938 N PHE A 61 10.163 4.088 1.276 1.00 0.00 N ATOM 939 CA PHE A 61 10.854 2.962 0.665 1.00 0.00 C ATOM 940 C PHE A 61 12.344 3.232 0.559 1.00 0.00 C ATOM 941 O PHE A 61 13.156 2.317 0.696 1.00 0.00 O ATOM 942 CB PHE A 61 10.279 2.675 -0.720 1.00 0.00 C ATOM 943 CG PHE A 61 8.782 2.520 -0.719 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.134 1.926 0.354 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.026 2.976 -1.785 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.760 1.787 0.363 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.651 2.840 -1.782 1.00 0.00 C ATOM 948 CZ PHE A 61 6.017 2.245 -0.707 1.00 0.00 C ATOM 0 H PHE A 61 9.399 4.467 0.717 1.00 0.00 H new ATOM 0 HA PHE A 61 10.705 2.090 1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.554 3.485 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.732 1.765 -1.113 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.711 1.568 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.516 3.443 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.268 1.322 1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.071 3.199 -2.620 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.942 2.139 -0.704 1.00 0.00 H new ATOM 958 N GLN A 62 12.702 4.488 0.322 1.00 0.00 N ATOM 959 CA GLN A 62 14.102 4.855 0.201 1.00 0.00 C ATOM 960 C GLN A 62 14.788 4.733 1.549 1.00 0.00 C ATOM 961 O GLN A 62 15.979 4.454 1.626 1.00 0.00 O ATOM 962 CB GLN A 62 14.244 6.282 -0.328 1.00 0.00 C ATOM 963 CG GLN A 62 13.563 6.507 -1.666 1.00 0.00 C ATOM 964 CD GLN A 62 14.518 7.015 -2.729 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.483 7.717 -2.429 1.00 0.00 O ATOM 966 NE2 GLN A 62 14.251 6.662 -3.980 1.00 0.00 N ATOM 0 H GLN A 62 12.047 5.262 0.211 1.00 0.00 H new ATOM 0 HA GLN A 62 14.576 4.175 -0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.827 6.974 0.403 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.303 6.521 -0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.114 5.572 -2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.751 7.223 -1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.440 6.078 -4.183 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.857 6.974 -4.738 1.00 0.00 H new ATOM 975 N GLN A 63 14.018 4.935 2.609 1.00 0.00 N ATOM 976 CA GLN A 63 14.541 4.862 3.958 1.00 0.00 C ATOM 977 C GLN A 63 14.646 3.418 4.456 1.00 0.00 C ATOM 978 O GLN A 63 15.639 3.045 5.078 1.00 0.00 O ATOM 979 CB GLN A 63 13.646 5.680 4.874 1.00 0.00 C ATOM 980 CG GLN A 63 13.620 7.162 4.522 1.00 0.00 C ATOM 981 CD GLN A 63 14.973 7.828 4.689 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.763 7.342 5.640 1.00 0.00 O flip ATOM 983 NE2 GLN A 63 15.303 8.773 3.972 1.00 0.00 N flip ATOM 0 H GLN A 63 13.023 5.152 2.555 1.00 0.00 H new ATOM 0 HA GLN A 63 15.552 5.269 3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.631 5.284 4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.987 5.564 5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.286 7.280 3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.890 7.668 5.154 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.665 9.115 3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.214 9.214 4.097 1.00 0.00 H new ATOM 992 N VAL A 64 13.622 2.608 4.186 1.00 0.00 N ATOM 993 CA VAL A 64 13.626 1.206 4.620 1.00 0.00 C ATOM 994 C VAL A 64 14.744 0.444 3.932 1.00 0.00 C ATOM 995 O VAL A 64 15.374 -0.435 4.517 1.00 0.00 O ATOM 996 CB VAL A 64 12.278 0.471 4.341 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.167 1.447 4.008 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.414 -0.563 3.225 1.00 0.00 C ATOM 0 H VAL A 64 12.786 2.892 3.675 1.00 0.00 H new ATOM 0 HA VAL A 64 13.777 1.227 5.699 1.00 0.00 H new ATOM 0 HB VAL A 64 12.016 -0.051 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.244 0.898 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.019 2.129 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.438 2.017 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.453 -1.052 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.729 -0.068 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.157 -1.309 3.508 1.00 0.00 H new ATOM 1008 N VAL A 65 14.971 0.797 2.681 1.00 0.00 N ATOM 1009 CA VAL A 65 15.982 0.157 1.873 1.00 0.00 C ATOM 1010 C VAL A 65 17.370 0.672 2.232 1.00 0.00 C ATOM 1011 O VAL A 65 18.363 -0.047 2.118 1.00 0.00 O ATOM 1012 CB VAL A 65 15.684 0.389 0.386 1.00 0.00 C ATOM 1013 CG1 VAL A 65 15.981 1.828 -0.008 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.449 -0.592 -0.475 1.00 0.00 C ATOM 0 H VAL A 65 14.458 1.536 2.200 1.00 0.00 H new ATOM 0 HA VAL A 65 15.963 -0.914 2.073 1.00 0.00 H new ATOM 0 HB VAL A 65 14.621 0.215 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.762 1.968 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.361 2.502 0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.033 2.046 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.222 -0.408 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.519 -0.466 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.158 -1.609 -0.213 1.00 0.00 H new ATOM 1024 N LYS A 66 17.427 1.927 2.664 1.00 0.00 N ATOM 1025 CA LYS A 66 18.682 2.544 3.072 1.00 0.00 C ATOM 1026 C LYS A 66 19.154 1.939 4.381 1.00 0.00 C ATOM 1027 O LYS A 66 20.327 1.611 4.554 1.00 0.00 O ATOM 1028 CB LYS A 66 18.488 4.047 3.267 1.00 0.00 C ATOM 1029 CG LYS A 66 18.756 4.870 2.019 1.00 0.00 C ATOM 1030 CD LYS A 66 18.394 6.336 2.225 1.00 0.00 C ATOM 1031 CE LYS A 66 19.256 6.984 3.298 1.00 0.00 C ATOM 1032 NZ LYS A 66 18.877 8.405 3.531 1.00 0.00 N ATOM 0 H LYS A 66 16.614 2.539 2.741 1.00 0.00 H new ATOM 0 HA LYS A 66 19.424 2.367 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.466 4.231 3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.149 4.388 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.809 4.789 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.181 4.466 1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.515 6.876 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.344 6.415 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.159 6.425 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.304 6.931 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.677 8.911 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.632 8.852 2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.057 8.445 4.169 1.00 0.00 H new ATOM 1046 N LEU A 67 18.209 1.800 5.296 1.00 0.00 N ATOM 1047 CA LEU A 67 18.473 1.254 6.616 1.00 0.00 C ATOM 1048 C LEU A 67 18.280 -0.256 6.615 1.00 0.00 C ATOM 1049 O LEU A 67 18.416 -0.916 7.645 1.00 0.00 O ATOM 1050 CB LEU A 67 17.542 1.931 7.614 1.00 0.00 C ATOM 1051 CG LEU A 67 17.514 3.458 7.505 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.530 4.051 8.501 1.00 0.00 C ATOM 1053 CD2 LEU A 67 18.907 4.029 7.718 1.00 0.00 C ATOM 0 H LEU A 67 17.235 2.063 5.144 1.00 0.00 H new ATOM 0 HA LEU A 67 19.507 1.447 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.532 1.548 7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.846 1.655 8.624 1.00 0.00 H new ATOM 0 HG LEU A 67 17.181 3.726 6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.526 5.137 8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.531 3.666 8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.827 3.776 9.513 1.00 0.00 H new ATOM 0 HD21 LEU A 67 18.871 5.115 7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.267 3.750 8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.583 3.631 6.961 1.00 0.00 H new ATOM 1065 N LYS A 68 17.974 -0.777 5.433 1.00 0.00 N ATOM 1066 CA LYS A 68 17.765 -2.206 5.215 1.00 0.00 C ATOM 1067 C LYS A 68 17.125 -2.903 6.411 1.00 0.00 C ATOM 1068 O LYS A 68 17.813 -3.482 7.252 1.00 0.00 O ATOM 1069 CB LYS A 68 19.089 -2.872 4.876 1.00 0.00 C ATOM 1070 CG LYS A 68 19.369 -2.930 3.391 1.00 0.00 C ATOM 1071 CD LYS A 68 18.448 -3.914 2.691 1.00 0.00 C ATOM 1072 CE LYS A 68 17.885 -3.325 1.410 1.00 0.00 C ATOM 1073 NZ LYS A 68 18.942 -3.108 0.384 1.00 0.00 N ATOM 0 H LYS A 68 17.862 -0.215 4.589 1.00 0.00 H new ATOM 0 HA LYS A 68 17.068 -2.304 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.896 -2.331 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.091 -3.885 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.242 -1.938 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.407 -3.220 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.995 -4.829 2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.631 -4.188 3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.122 -3.992 1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.395 -2.377 1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.515 -2.705 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.657 -2.451 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.393 -4.016 0.153 1.00 0.00 H new ATOM 1087 N GLY A 69 15.805 -2.837 6.469 1.00 0.00 N ATOM 1088 CA GLY A 69 15.064 -3.479 7.538 1.00 0.00 C ATOM 1089 C GLY A 69 14.229 -2.505 8.340 1.00 0.00 C ATOM 1090 O GLY A 69 13.088 -2.805 8.696 1.00 0.00 O ATOM 0 H GLY A 69 15.226 -2.345 5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.414 -4.245 7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.762 -3.986 8.204 1.00 0.00 H new ATOM 1094 N GLN A 70 14.797 -1.341 8.628 1.00 0.00 N ATOM 1095 CA GLN A 70 14.095 -0.316 9.388 1.00 0.00 C ATOM 1096 C GLN A 70 12.749 -0.002 8.742 1.00 0.00 C ATOM 1097 O GLN A 70 12.680 0.293 7.548 1.00 0.00 O ATOM 1098 CB GLN A 70 14.947 0.946 9.464 1.00 0.00 C ATOM 1099 CG GLN A 70 14.399 2.002 10.405 1.00 0.00 C ATOM 1100 CD GLN A 70 14.300 1.515 11.838 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.082 0.671 12.274 1.00 0.00 O ATOM 1102 NE2 GLN A 70 13.334 2.047 12.579 1.00 0.00 N ATOM 0 H GLN A 70 15.743 -1.083 8.346 1.00 0.00 H new ATOM 0 HA GLN A 70 13.916 -0.688 10.397 1.00 0.00 H new ATOM 0 HB2 GLN A 70 15.953 0.675 9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.035 1.374 8.465 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.040 2.883 10.369 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.412 2.311 10.062 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.708 2.744 12.176 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.219 1.758 13.550 1.00 0.00 H new ATOM 1111 N VAL A 71 11.685 -0.067 9.532 1.00 0.00 N ATOM 1112 CA VAL A 71 10.349 0.191 9.027 1.00 0.00 C ATOM 1113 C VAL A 71 10.053 1.683 8.937 1.00 0.00 C ATOM 1114 O VAL A 71 10.503 2.477 9.764 1.00 0.00 O ATOM 1115 CB VAL A 71 9.286 -0.476 9.910 1.00 0.00 C ATOM 1116 CG1 VAL A 71 7.949 -0.534 9.184 1.00 0.00 C ATOM 1117 CG2 VAL A 71 9.740 -1.862 10.335 1.00 0.00 C ATOM 0 H VAL A 71 11.725 -0.297 10.525 1.00 0.00 H new ATOM 0 HA VAL A 71 10.310 -0.234 8.024 1.00 0.00 H new ATOM 0 HB VAL A 71 9.154 0.125 10.810 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.207 -1.010 9.825 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.623 0.477 8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.058 -1.111 8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.974 -2.320 10.961 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.903 -2.478 9.451 1.00 0.00 H new ATOM 0 HG23 VAL A 71 10.669 -1.783 10.899 1.00 0.00 H new ATOM 1127 N LEU A 72 9.288 2.040 7.917 1.00 0.00 N ATOM 1128 CA LEU A 72 8.898 3.411 7.661 1.00 0.00 C ATOM 1129 C LEU A 72 7.392 3.571 7.797 1.00 0.00 C ATOM 1130 O LEU A 72 6.634 2.647 7.498 1.00 0.00 O ATOM 1131 CB LEU A 72 9.319 3.798 6.247 1.00 0.00 C ATOM 1132 CG LEU A 72 10.733 4.350 6.097 1.00 0.00 C ATOM 1133 CD1 LEU A 72 10.773 5.800 6.519 1.00 0.00 C ATOM 1134 CD2 LEU A 72 11.734 3.527 6.896 1.00 0.00 C ATOM 0 H LEU A 72 8.918 1.375 7.238 1.00 0.00 H new ATOM 0 HA LEU A 72 9.388 4.058 8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.223 2.920 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.618 4.543 5.872 1.00 0.00 H new ATOM 0 HG LEU A 72 11.016 4.283 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.787 6.183 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.095 6.380 5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.466 5.884 7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.733 3.945 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.463 3.549 7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.724 2.497 6.540 1.00 0.00 H new ATOM 1146 N SER A 73 6.962 4.740 8.245 1.00 0.00 N ATOM 1147 CA SER A 73 5.543 5.013 8.399 1.00 0.00 C ATOM 1148 C SER A 73 5.178 6.306 7.701 1.00 0.00 C ATOM 1149 O SER A 73 5.604 7.388 8.104 1.00 0.00 O ATOM 1150 CB SER A 73 5.158 5.096 9.869 1.00 0.00 C ATOM 1151 OG SER A 73 3.768 4.883 10.046 1.00 0.00 O ATOM 0 H SER A 73 7.574 5.513 8.508 1.00 0.00 H new ATOM 0 HA SER A 73 4.992 4.190 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.718 4.353 10.437 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.432 6.074 10.265 1.00 0.00 H new ATOM 0 HG SER A 73 3.547 4.940 10.999 1.00 0.00 H new ATOM 1157 N VAL A 74 4.385 6.184 6.653 1.00 0.00 N ATOM 1158 CA VAL A 74 3.960 7.357 5.889 1.00 0.00 C ATOM 1159 C VAL A 74 2.485 7.277 5.529 1.00 0.00 C ATOM 1160 O VAL A 74 1.994 6.227 5.115 1.00 0.00 O ATOM 1161 CB VAL A 74 4.776 7.523 4.586 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.255 7.695 4.887 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.549 6.345 3.659 1.00 0.00 C ATOM 0 H VAL A 74 4.021 5.296 6.308 1.00 0.00 H new ATOM 0 HA VAL A 74 4.135 8.219 6.532 1.00 0.00 H new ATOM 0 HB VAL A 74 4.429 8.426 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.805 7.810 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.400 8.581 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.622 6.818 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.132 6.481 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.861 5.426 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.491 6.280 3.406 1.00 0.00 H new ATOM 1173 N MET A 75 1.774 8.387 5.691 1.00 0.00 N ATOM 1174 CA MET A 75 0.363 8.415 5.348 1.00 0.00 C ATOM 1175 C MET A 75 0.172 9.017 3.979 1.00 0.00 C ATOM 1176 O MET A 75 0.660 10.109 3.691 1.00 0.00 O ATOM 1177 CB MET A 75 -0.464 9.204 6.352 1.00 0.00 C ATOM 1178 CG MET A 75 -0.607 8.520 7.692 1.00 0.00 C ATOM 1179 SD MET A 75 -1.985 9.167 8.651 1.00 0.00 S ATOM 1180 CE MET A 75 -3.355 8.663 7.614 1.00 0.00 C ATOM 0 H MET A 75 2.147 9.265 6.052 1.00 0.00 H new ATOM 0 HA MET A 75 0.017 7.382 5.362 1.00 0.00 H new ATOM 0 HB2 MET A 75 -0.004 10.181 6.500 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.456 9.378 5.935 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.747 7.450 7.537 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.316 8.642 8.259 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.286 9.049 8.029 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.214 9.058 6.608 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.399 7.575 7.573 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.544 8.301 3.141 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.801 8.775 1.792 1.00 0.00 C ATOM 1192 C PHE A 76 -2.220 8.454 1.351 1.00 0.00 C ATOM 1193 O PHE A 76 -2.912 7.650 1.971 1.00 0.00 O ATOM 1194 CB PHE A 76 0.196 8.151 0.821 1.00 0.00 C ATOM 1195 CG PHE A 76 -0.122 6.726 0.483 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.208 5.699 1.350 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.759 6.414 -0.704 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -0.091 4.395 1.037 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -1.057 5.106 -1.021 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.720 4.095 -0.145 1.00 0.00 C ATOM 0 H PHE A 76 -0.957 7.395 3.363 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.683 9.859 1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.217 8.739 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.195 8.201 1.254 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.705 5.925 2.282 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.026 7.204 -1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.170 3.603 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.553 4.873 -1.952 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.951 3.069 -0.389 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.639 9.092 0.269 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.970 8.883 -0.277 1.00 0.00 C ATOM 1212 C ARG A 77 -3.931 7.868 -1.413 1.00 0.00 C ATOM 1213 O ARG A 77 -3.456 8.162 -2.510 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.546 10.208 -0.766 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.873 11.172 0.362 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.914 12.615 -0.113 1.00 0.00 C ATOM 1217 NE ARG A 77 -3.637 13.041 -0.672 1.00 0.00 N ATOM 1218 CZ ARG A 77 -3.071 14.215 -0.406 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -3.666 15.070 0.414 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -1.910 14.533 -0.961 1.00 0.00 N ATOM 0 H ARG A 77 -2.072 9.762 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.612 8.488 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.833 10.679 -1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.451 10.013 -1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.836 10.907 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.128 11.072 1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.695 12.727 -0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.179 13.264 0.721 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.150 12.403 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.560 14.828 0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.230 15.970 0.617 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.450 13.877 -1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.477 15.433 -0.757 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.423 6.667 -1.132 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.449 5.594 -2.117 1.00 0.00 C ATOM 1236 C PHE A 78 -5.711 5.656 -2.964 1.00 0.00 C ATOM 1237 O PHE A 78 -6.792 5.310 -2.489 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.400 4.227 -1.412 1.00 0.00 C ATOM 1239 CG PHE A 78 -4.060 3.078 -2.330 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.974 2.617 -3.268 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.824 2.462 -2.257 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.653 1.564 -4.110 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.498 1.414 -3.096 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.413 0.966 -4.022 1.00 0.00 C ATOM 0 H PHE A 78 -4.811 6.412 -0.224 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.579 5.718 -2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.663 4.269 -0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.367 4.034 -0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.945 3.084 -3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.101 2.806 -1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.373 1.212 -4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.527 0.947 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.160 0.147 -4.679 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.588 6.096 -4.215 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.746 6.125 -5.089 1.00 0.00 C ATOM 1256 C ARG A 79 -7.163 4.687 -5.323 1.00 0.00 C ATOM 1257 O ARG A 79 -6.553 3.970 -6.115 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.439 6.826 -6.412 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.633 6.898 -7.352 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.793 5.618 -8.147 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.618 5.809 -9.338 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.437 5.149 -10.477 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.460 4.255 -10.582 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -9.232 5.380 -11.513 1.00 0.00 N ATOM 0 H ARG A 79 -4.719 6.428 -4.633 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.552 6.693 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.088 7.837 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.624 6.301 -6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.539 7.086 -6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.509 7.738 -8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.810 5.250 -8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.243 4.853 -7.514 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.377 6.489 -9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.847 4.074 -9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.323 3.750 -11.457 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.984 6.065 -11.436 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.092 4.873 -12.387 1.00 0.00 H new ATOM 1278 N SER A 80 -8.192 4.270 -4.615 1.00 0.00 N ATOM 1279 CA SER A 80 -8.655 2.906 -4.689 1.00 0.00 C ATOM 1280 C SER A 80 -9.605 2.651 -5.848 1.00 0.00 C ATOM 1281 O SER A 80 -9.832 3.514 -6.692 1.00 0.00 O ATOM 1282 CB SER A 80 -9.311 2.543 -3.370 1.00 0.00 C ATOM 1283 OG SER A 80 -8.352 2.538 -2.331 1.00 0.00 O ATOM 0 H SER A 80 -8.725 4.863 -3.979 1.00 0.00 H new ATOM 0 HA SER A 80 -7.788 2.272 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.102 3.257 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.779 1.562 -3.447 1.00 0.00 H new ATOM 0 HG SER A 80 -7.914 3.413 -2.286 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.135 1.434 -5.875 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.059 1.002 -6.904 1.00 0.00 C ATOM 1291 C LYS A 81 -12.281 1.913 -6.947 1.00 0.00 C ATOM 1292 O LYS A 81 -13.009 1.953 -7.940 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.475 -0.443 -6.643 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.068 -1.103 -7.857 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.260 -2.311 -8.269 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.935 -3.050 -9.397 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.214 -3.680 -8.966 1.00 0.00 N ATOM 0 H LYS A 81 -9.931 0.719 -5.177 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.563 1.060 -7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.607 -1.013 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.201 -0.467 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.095 -1.403 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.107 -0.390 -8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.263 -1.998 -8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.134 -2.978 -7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.130 -2.359 -10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.263 -3.818 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.506 -4.389 -9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.080 -4.142 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.950 -2.950 -8.884 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.497 2.646 -5.857 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.624 3.566 -5.756 1.00 0.00 C ATOM 1313 C ASN A 82 -13.226 4.963 -6.210 1.00 0.00 C ATOM 1314 O ASN A 82 -13.975 5.926 -6.039 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.141 3.617 -4.321 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.689 2.283 -3.852 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.177 1.479 -4.788 1.00 0.00 O flip ATOM 1318 ND2 ASN A 82 -14.668 1.977 -2.659 1.00 0.00 N flip ATOM 0 H ASN A 82 -11.903 2.619 -5.029 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.417 3.201 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.333 3.927 -3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.922 4.373 -4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.283 2.626 -1.973 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.035 1.074 -2.357 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.040 5.055 -6.794 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.507 6.310 -7.292 1.00 0.00 C ATOM 1327 C GLN A 83 -11.563 7.398 -6.230 1.00 0.00 C ATOM 1328 O GLN A 83 -11.837 8.562 -6.525 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.266 6.717 -8.539 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.448 5.550 -9.484 1.00 0.00 C ATOM 1331 CD GLN A 83 -13.897 5.173 -9.651 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -14.358 4.282 -8.790 1.00 0.00 O flip ATOM 1333 NE2 GLN A 83 -14.592 5.674 -10.535 1.00 0.00 N flip ATOM 0 H GLN A 83 -11.420 4.257 -6.935 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.456 6.172 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.241 7.115 -8.259 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.729 7.518 -9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.026 5.803 -10.457 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.892 4.691 -9.109 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -14.188 6.358 -11.175 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -15.572 5.405 -10.627 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.293 7.002 -4.994 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.305 7.924 -3.870 1.00 0.00 C ATOM 1344 C GLU A 84 -9.965 7.905 -3.144 1.00 0.00 C ATOM 1345 O GLU A 84 -9.335 6.855 -3.020 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.427 7.555 -2.907 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.811 7.863 -3.449 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.114 9.348 -3.466 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -13.804 10.006 -4.482 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -14.662 9.854 -2.464 1.00 0.00 O ATOM 0 H GLU A 84 -11.061 6.040 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.476 8.931 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.363 6.492 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.284 8.093 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.897 7.467 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.557 7.351 -2.842 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.529 9.070 -2.672 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.264 9.174 -1.961 1.00 0.00 C ATOM 1359 C TRP A 85 -8.345 8.480 -0.604 1.00 0.00 C ATOM 1360 O TRP A 85 -8.592 9.116 0.422 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.876 10.646 -1.792 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.417 11.291 -3.062 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.862 12.458 -3.604 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.419 10.795 -3.946 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -7.204 12.712 -4.785 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.309 11.698 -5.015 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.614 9.668 -3.928 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.416 11.500 -6.065 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.726 9.465 -4.964 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.632 10.378 -6.023 1.00 0.00 C ATOM 0 H TRP A 85 -10.033 9.951 -2.770 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.494 8.674 -2.548 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.732 11.197 -1.403 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -7.083 10.722 -1.048 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.621 13.092 -3.170 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.356 13.520 -5.389 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.680 8.959 -3.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.344 12.204 -6.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -4.094 8.589 -4.959 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.928 10.193 -6.821 1.00 0.00 H new ATOM 1381 N LEU A 86 -8.131 7.167 -0.614 1.00 0.00 N ATOM 1382 CA LEU A 86 -8.180 6.363 0.602 1.00 0.00 C ATOM 1383 C LEU A 86 -6.937 6.571 1.457 1.00 0.00 C ATOM 1384 O LEU A 86 -5.874 6.037 1.151 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.307 4.878 0.244 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.638 4.443 -0.389 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.931 2.996 -0.035 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.779 5.343 0.065 1.00 0.00 C ATOM 0 H LEU A 86 -7.920 6.635 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.050 6.682 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.501 4.621 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.151 4.293 1.150 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.550 4.534 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.876 2.695 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.130 2.360 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.998 2.893 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.709 5.013 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.875 5.290 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.571 6.371 -0.231 1.00 0.00 H new ATOM 1400 N TRP A 87 -7.071 7.328 2.544 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.936 7.581 3.417 1.00 0.00 C ATOM 1402 C TRP A 87 -5.453 6.294 4.049 1.00 0.00 C ATOM 1403 O TRP A 87 -6.225 5.539 4.639 1.00 0.00 O ATOM 1404 CB TRP A 87 -6.277 8.605 4.491 1.00 0.00 C ATOM 1405 CG TRP A 87 -6.022 10.006 4.038 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.945 10.890 3.561 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.754 10.679 3.989 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -6.335 12.068 3.212 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.992 11.964 3.465 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -3.439 10.324 4.336 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.973 12.891 3.273 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -2.431 11.251 4.144 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.702 12.519 3.615 1.00 0.00 C ATOM 0 H TRP A 87 -7.943 7.770 2.835 1.00 0.00 H new ATOM 0 HA TRP A 87 -5.134 7.993 2.805 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.325 8.501 4.770 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.687 8.401 5.385 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -8.003 10.691 3.471 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.804 12.888 2.827 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.221 9.348 4.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -4.178 13.871 2.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.416 10.992 4.407 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.891 13.218 3.474 1.00 0.00 H new ATOM 1424 N MET A 88 -4.163 6.058 3.912 1.00 0.00 N ATOM 1425 CA MET A 88 -3.542 4.857 4.436 1.00 0.00 C ATOM 1426 C MET A 88 -2.213 5.161 5.087 1.00 0.00 C ATOM 1427 O MET A 88 -1.591 6.186 4.825 1.00 0.00 O ATOM 1428 CB MET A 88 -3.306 3.856 3.311 1.00 0.00 C ATOM 1429 CG MET A 88 -4.541 3.547 2.507 1.00 0.00 C ATOM 1430 SD MET A 88 -5.413 2.086 3.073 1.00 0.00 S ATOM 1431 CE MET A 88 -6.711 2.032 1.849 1.00 0.00 C ATOM 0 H MET A 88 -3.518 6.690 3.437 1.00 0.00 H new ATOM 0 HA MET A 88 -4.219 4.441 5.182 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.537 4.247 2.644 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.919 2.930 3.736 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.216 4.402 2.548 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.261 3.412 1.462 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.805 1.017 1.462 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.654 2.335 2.305 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.468 2.711 1.031 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.797 4.249 5.937 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.525 4.353 6.619 1.00 0.00 C ATOM 1443 C ARG A 89 0.345 3.180 6.194 1.00 0.00 C ATOM 1444 O ARG A 89 -0.035 2.025 6.386 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.724 4.324 8.130 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.693 5.370 8.639 1.00 0.00 C ATOM 1447 CD ARG A 89 -1.150 6.049 9.880 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.019 5.121 11.001 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.162 5.291 12.003 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.636 6.350 12.026 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.103 4.401 12.985 1.00 0.00 N ATOM 0 H ARG A 89 -2.331 3.413 6.176 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.046 5.296 6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.084 3.337 8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.240 4.468 8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.874 6.113 7.862 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.652 4.904 8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.177 6.487 9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.811 6.868 10.163 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.619 4.296 11.016 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.593 7.037 11.273 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.292 6.477 12.796 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.715 3.585 12.972 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.555 4.532 13.753 1.00 0.00 H new ATOM 1465 N THR A 90 1.504 3.461 5.625 1.00 0.00 N ATOM 1466 CA THR A 90 2.372 2.390 5.153 1.00 0.00 C ATOM 1467 C THR A 90 3.427 1.988 6.161 1.00 0.00 C ATOM 1468 O THR A 90 4.046 2.839 6.807 1.00 0.00 O ATOM 1469 CB THR A 90 3.105 2.772 3.864 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.300 3.490 4.176 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.221 3.612 2.975 1.00 0.00 C ATOM 0 H THR A 90 1.864 4.404 5.479 1.00 0.00 H new ATOM 0 HA THR A 90 1.696 1.552 4.980 1.00 0.00 H new ATOM 0 HB THR A 90 3.363 1.857 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.080 2.946 3.939 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.762 3.872 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.325 3.048 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.937 4.523 3.501 1.00 0.00 H new ATOM 1479 N SER A 91 3.622 0.674 6.263 1.00 0.00 N ATOM 1480 CA SER A 91 4.633 0.085 7.128 1.00 0.00 C ATOM 1481 C SER A 91 5.669 -0.590 6.236 1.00 0.00 C ATOM 1482 O SER A 91 5.746 -1.816 6.157 1.00 0.00 O ATOM 1483 CB SER A 91 3.993 -0.927 8.083 1.00 0.00 C ATOM 1484 OG SER A 91 3.734 -0.344 9.348 1.00 0.00 O ATOM 0 H SER A 91 3.077 -0.013 5.742 1.00 0.00 H new ATOM 0 HA SER A 91 5.109 0.852 7.739 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.063 -1.299 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.654 -1.786 8.204 1.00 0.00 H new ATOM 0 HG SER A 91 3.324 -1.011 9.938 1.00 0.00 H new ATOM 1490 N SER A 92 6.455 0.241 5.555 1.00 0.00 N ATOM 1491 CA SER A 92 7.459 -0.229 4.604 1.00 0.00 C ATOM 1492 C SER A 92 8.772 -0.632 5.268 1.00 0.00 C ATOM 1493 O SER A 92 9.403 0.153 5.966 1.00 0.00 O ATOM 1494 CB SER A 92 7.720 0.861 3.569 1.00 0.00 C ATOM 1495 OG SER A 92 6.567 1.662 3.375 1.00 0.00 O ATOM 0 H SER A 92 6.414 1.256 5.647 1.00 0.00 H new ATOM 0 HA SER A 92 7.059 -1.126 4.130 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.551 1.486 3.895 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.015 0.407 2.623 1.00 0.00 H new ATOM 0 HG SER A 92 6.619 2.104 2.502 1.00 0.00 H new ATOM 1501 N GLN A 93 9.175 -1.869 5.026 1.00 0.00 N ATOM 1502 CA GLN A 93 10.422 -2.408 5.553 1.00 0.00 C ATOM 1503 C GLN A 93 10.871 -3.571 4.683 1.00 0.00 C ATOM 1504 O GLN A 93 10.046 -4.371 4.254 1.00 0.00 O ATOM 1505 CB GLN A 93 10.259 -2.874 6.998 1.00 0.00 C ATOM 1506 CG GLN A 93 9.195 -3.944 7.177 1.00 0.00 C ATOM 1507 CD GLN A 93 9.301 -4.656 8.508 1.00 0.00 C ATOM 1508 OE1 GLN A 93 10.517 -4.750 9.021 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 8.303 -5.115 9.065 1.00 0.00 N flip ATOM 0 H GLN A 93 8.646 -2.531 4.457 1.00 0.00 H new ATOM 0 HA GLN A 93 11.174 -1.619 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.214 -3.259 7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.008 -2.016 7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.209 -3.488 7.091 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.280 -4.673 6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.386 -5.018 8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.394 -5.593 9.962 1.00 0.00 H new ATOM 1518 N THR A 94 12.173 -3.668 4.439 1.00 0.00 N ATOM 1519 CA THR A 94 12.721 -4.724 3.596 1.00 0.00 C ATOM 1520 C THR A 94 12.007 -6.049 3.826 1.00 0.00 C ATOM 1521 O THR A 94 11.978 -6.574 4.939 1.00 0.00 O ATOM 1522 CB THR A 94 14.225 -4.888 3.837 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.458 -5.499 5.111 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.902 -3.530 3.787 1.00 0.00 C ATOM 0 H THR A 94 12.871 -3.026 4.815 1.00 0.00 H new ATOM 0 HA THR A 94 12.561 -4.428 2.559 1.00 0.00 H new ATOM 0 HB THR A 94 14.640 -5.528 3.058 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.625 -5.897 5.440 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.972 -3.650 3.959 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.740 -3.079 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.481 -2.885 4.558 1.00 0.00 H new ATOM 1532 N ALA A 95 11.426 -6.572 2.751 1.00 0.00 N ATOM 1533 CA ALA A 95 10.672 -7.817 2.797 1.00 0.00 C ATOM 1534 C ALA A 95 11.468 -8.966 3.405 1.00 0.00 C ATOM 1535 O ALA A 95 12.657 -8.836 3.698 1.00 0.00 O ATOM 1536 CB ALA A 95 10.205 -8.188 1.403 1.00 0.00 C ATOM 0 H ALA A 95 11.465 -6.145 1.826 1.00 0.00 H new ATOM 0 HA ALA A 95 9.812 -7.648 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.642 -9.120 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.568 -7.396 1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.070 -8.315 0.751 1.00 0.00 H new ATOM 1542 N GLN A 96 10.792 -10.095 3.582 1.00 0.00 N ATOM 1543 CA GLN A 96 11.399 -11.282 4.160 1.00 0.00 C ATOM 1544 C GLN A 96 12.369 -11.941 3.196 1.00 0.00 C ATOM 1545 O GLN A 96 13.560 -11.629 3.190 1.00 0.00 O ATOM 1546 CB GLN A 96 10.310 -12.265 4.570 1.00 0.00 C ATOM 1547 CG GLN A 96 9.114 -11.592 5.218 1.00 0.00 C ATOM 1548 CD GLN A 96 8.549 -12.396 6.369 1.00 0.00 C ATOM 1549 OE1 GLN A 96 8.600 -13.626 6.369 1.00 0.00 O ATOM 1550 NE2 GLN A 96 8.013 -11.702 7.364 1.00 0.00 N ATOM 0 H GLN A 96 9.811 -10.211 3.329 1.00 0.00 H new ATOM 0 HA GLN A 96 11.968 -10.980 5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.977 -12.816 3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.729 -12.994 5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.407 -10.606 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.337 -11.440 4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.992 -10.683 7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.622 -12.187 8.171 1.00 0.00 H new ATOM 1559 N ASN A 97 11.853 -12.848 2.381 1.00 0.00 N ATOM 1560 CA ASN A 97 12.679 -13.560 1.420 1.00 0.00 C ATOM 1561 C ASN A 97 11.819 -14.432 0.502 1.00 0.00 C ATOM 1562 O ASN A 97 10.747 -14.887 0.901 1.00 0.00 O ATOM 1563 CB ASN A 97 13.699 -14.417 2.170 1.00 0.00 C ATOM 1564 CG ASN A 97 13.089 -15.685 2.735 1.00 0.00 C ATOM 1565 OD1 ASN A 97 12.601 -15.702 3.864 1.00 0.00 O ATOM 1566 ND2 ASN A 97 13.115 -16.755 1.949 1.00 0.00 N ATOM 0 H ASN A 97 10.867 -13.108 2.366 1.00 0.00 H new ATOM 0 HA ASN A 97 13.203 -12.836 0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.514 -14.679 1.496 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.132 -13.833 2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.720 -17.637 2.275 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.530 -16.695 1.019 1.00 0.00 H new ATOM 1573 N PRO A 98 12.271 -14.677 -0.745 1.00 0.00 N ATOM 1574 CA PRO A 98 13.536 -14.160 -1.274 1.00 0.00 C ATOM 1575 C PRO A 98 13.428 -12.707 -1.720 1.00 0.00 C ATOM 1576 O PRO A 98 14.262 -12.217 -2.483 1.00 0.00 O ATOM 1577 CB PRO A 98 13.772 -15.067 -2.476 1.00 0.00 C ATOM 1578 CG PRO A 98 12.413 -15.350 -2.980 1.00 0.00 C ATOM 1579 CD PRO A 98 11.564 -15.489 -1.756 1.00 0.00 C ATOM 0 HA PRO A 98 14.336 -14.166 -0.534 1.00 0.00 H new ATOM 0 HB2 PRO A 98 14.384 -14.576 -3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.291 -15.982 -2.190 1.00 0.00 H new ATOM 0 HG2 PRO A 98 12.054 -14.544 -3.619 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.396 -16.262 -3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.552 -15.123 -1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.478 -16.530 -1.445 1.00 0.00 H new ATOM 1587 N TYR A 99 12.395 -12.021 -1.242 1.00 0.00 N ATOM 1588 CA TYR A 99 12.170 -10.629 -1.599 1.00 0.00 C ATOM 1589 C TYR A 99 12.826 -9.705 -0.585 1.00 0.00 C ATOM 1590 O TYR A 99 12.386 -8.582 -0.382 1.00 0.00 O ATOM 1591 CB TYR A 99 10.667 -10.340 -1.687 1.00 0.00 C ATOM 1592 CG TYR A 99 9.817 -11.578 -1.871 1.00 0.00 C ATOM 1593 CD1 TYR A 99 10.005 -12.412 -2.964 1.00 0.00 C ATOM 1594 CD2 TYR A 99 8.832 -11.914 -0.951 1.00 0.00 C ATOM 1595 CE1 TYR A 99 9.235 -13.547 -3.136 1.00 0.00 C ATOM 1596 CE2 TYR A 99 8.060 -13.047 -1.116 1.00 0.00 C ATOM 1597 CZ TYR A 99 8.264 -13.859 -2.211 1.00 0.00 C ATOM 1598 OH TYR A 99 7.498 -14.989 -2.378 1.00 0.00 O ATOM 0 H TYR A 99 11.700 -12.410 -0.605 1.00 0.00 H new ATOM 0 HA TYR A 99 12.620 -10.445 -2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.352 -9.826 -0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.485 -9.659 -2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.765 -12.170 -3.692 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.667 -11.279 -0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.394 -14.186 -3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.300 -13.296 -0.390 1.00 0.00 H new ATOM 0 HH TYR A 99 6.861 -15.065 -1.637 1.00 0.00 H new ATOM 1608 N SER A 100 13.888 -10.184 0.052 1.00 0.00 N ATOM 1609 CA SER A 100 14.596 -9.387 1.045 1.00 0.00 C ATOM 1610 C SER A 100 15.076 -8.074 0.438 1.00 0.00 C ATOM 1611 O SER A 100 15.088 -7.038 1.105 1.00 0.00 O ATOM 1612 CB SER A 100 15.782 -10.167 1.614 1.00 0.00 C ATOM 1613 OG SER A 100 16.486 -9.397 2.573 1.00 0.00 O ATOM 0 H SER A 100 14.276 -11.115 -0.100 1.00 0.00 H new ATOM 0 HA SER A 100 13.903 -9.163 1.856 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.428 -11.090 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.456 -10.451 0.806 1.00 0.00 H new ATOM 0 HG SER A 100 17.238 -9.918 2.923 1.00 0.00 H new ATOM 1619 N ASP A 101 15.471 -8.125 -0.828 1.00 0.00 N ATOM 1620 CA ASP A 101 15.943 -6.938 -1.529 1.00 0.00 C ATOM 1621 C ASP A 101 14.775 -6.011 -1.847 1.00 0.00 C ATOM 1622 O ASP A 101 14.967 -4.895 -2.333 1.00 0.00 O ATOM 1623 CB ASP A 101 16.665 -7.333 -2.818 1.00 0.00 C ATOM 1624 CG ASP A 101 17.838 -8.259 -2.564 1.00 0.00 C ATOM 1625 OD1 ASP A 101 18.943 -7.754 -2.271 1.00 0.00 O ATOM 1626 OD2 ASP A 101 17.653 -9.491 -2.656 1.00 0.00 O ATOM 0 H ASP A 101 15.474 -8.976 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 101 16.644 -6.411 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.960 -7.821 -3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.018 -6.434 -3.323 1.00 0.00 H new ATOM 1631 N GLU A 102 13.564 -6.486 -1.570 1.00 0.00 N ATOM 1632 CA GLU A 102 12.360 -5.718 -1.820 1.00 0.00 C ATOM 1633 C GLU A 102 11.968 -4.895 -0.607 1.00 0.00 C ATOM 1634 O GLU A 102 12.804 -4.567 0.236 1.00 0.00 O ATOM 1635 CB GLU A 102 11.218 -6.644 -2.186 1.00 0.00 C ATOM 1636 CG GLU A 102 11.469 -7.422 -3.453 1.00 0.00 C ATOM 1637 CD GLU A 102 12.403 -6.716 -4.420 1.00 0.00 C ATOM 1638 OE1 GLU A 102 11.933 -5.818 -5.150 1.00 0.00 O ATOM 1639 OE2 GLU A 102 13.604 -7.061 -4.445 1.00 0.00 O ATOM 0 H GLU A 102 13.396 -7.409 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 102 12.566 -5.040 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.047 -7.342 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.306 -6.058 -2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.891 -8.394 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.517 -7.609 -3.950 1.00 0.00 H new ATOM 1646 N ILE A 103 10.683 -4.576 -0.526 1.00 0.00 N ATOM 1647 CA ILE A 103 10.156 -3.780 0.572 1.00 0.00 C ATOM 1648 C ILE A 103 8.715 -4.153 0.903 1.00 0.00 C ATOM 1649 O ILE A 103 7.791 -3.867 0.140 1.00 0.00 O ATOM 1650 CB ILE A 103 10.220 -2.270 0.243 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.669 -1.843 -0.015 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.588 -1.439 1.358 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.823 -0.436 -0.552 1.00 0.00 C ATOM 0 H ILE A 103 9.984 -4.859 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 103 10.782 -3.993 1.439 1.00 0.00 H new ATOM 0 HB ILE A 103 9.645 -2.090 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.230 -1.926 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.119 -2.540 -0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.646 -0.381 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.543 -1.726 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.123 -1.616 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.880 -0.219 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.294 -0.349 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.406 0.274 0.163 1.00 0.00 H new ATOM 1665 N GLU A 104 8.542 -4.807 2.046 1.00 0.00 N ATOM 1666 CA GLU A 104 7.229 -5.198 2.525 1.00 0.00 C ATOM 1667 C GLU A 104 6.518 -3.987 3.111 1.00 0.00 C ATOM 1668 O GLU A 104 6.903 -3.478 4.164 1.00 0.00 O ATOM 1669 CB GLU A 104 7.368 -6.277 3.592 1.00 0.00 C ATOM 1670 CG GLU A 104 6.121 -7.123 3.762 1.00 0.00 C ATOM 1671 CD GLU A 104 6.276 -8.186 4.832 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.860 -9.249 4.531 1.00 0.00 O ATOM 1673 OE2 GLU A 104 5.814 -7.956 5.969 1.00 0.00 O ATOM 0 H GLU A 104 9.308 -5.079 2.662 1.00 0.00 H new ATOM 0 HA GLU A 104 6.646 -5.592 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.205 -6.926 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.611 -5.806 4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.281 -6.477 4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.879 -7.601 2.813 1.00 0.00 H new ATOM 1680 N THR A 105 5.481 -3.532 2.429 1.00 0.00 N ATOM 1681 CA THR A 105 4.737 -2.366 2.869 1.00 0.00 C ATOM 1682 C THR A 105 3.307 -2.718 3.258 1.00 0.00 C ATOM 1683 O THR A 105 2.509 -3.137 2.419 1.00 0.00 O ATOM 1684 CB THR A 105 4.735 -1.294 1.764 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.038 -0.719 1.663 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.715 -0.200 2.036 1.00 0.00 C ATOM 0 H THR A 105 5.135 -3.954 1.567 1.00 0.00 H new ATOM 0 HA THR A 105 5.233 -1.974 3.757 1.00 0.00 H new ATOM 0 HB THR A 105 4.459 -1.777 0.827 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.175 -0.376 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.747 0.535 1.232 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.718 -0.637 2.088 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.948 0.287 2.983 1.00 0.00 H new ATOM 1694 N ILE A 106 2.991 -2.546 4.539 1.00 0.00 N ATOM 1695 CA ILE A 106 1.651 -2.835 5.037 1.00 0.00 C ATOM 1696 C ILE A 106 0.782 -1.590 4.982 1.00 0.00 C ATOM 1697 O ILE A 106 0.897 -0.702 5.828 1.00 0.00 O ATOM 1698 CB ILE A 106 1.657 -3.366 6.485 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.357 -4.724 6.557 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.226 -3.472 7.015 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.863 -4.641 6.432 1.00 0.00 C ATOM 0 H ILE A 106 3.642 -2.209 5.248 1.00 0.00 H new ATOM 0 HA ILE A 106 1.246 -3.612 4.389 1.00 0.00 H new ATOM 0 HB ILE A 106 2.209 -2.664 7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.106 -5.202 7.504 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.970 -5.364 5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.244 -3.848 8.038 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.242 -2.488 6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.345 -4.156 6.387 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.289 -5.643 6.492 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.124 -4.193 5.474 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.262 -4.028 7.240 1.00 0.00 H new ATOM 1713 N ILE A 107 -0.083 -1.528 3.983 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.971 -0.395 3.825 1.00 0.00 C ATOM 1715 C ILE A 107 -2.223 -0.555 4.686 1.00 0.00 C ATOM 1716 O ILE A 107 -3.091 -1.374 4.387 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.371 -0.222 2.360 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -0.119 0.018 1.522 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.350 0.931 2.222 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.376 -0.017 0.038 1.00 0.00 C ATOM 0 H ILE A 107 -0.187 -2.251 3.271 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.433 0.494 4.154 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.864 -1.126 2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.306 0.986 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.627 -0.737 1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.630 1.047 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.241 0.725 2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.883 1.850 2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.557 0.161 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.773 -0.993 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.098 0.756 -0.225 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.312 0.238 5.750 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.448 0.168 6.665 1.00 0.00 C ATOM 1734 C CYS A 108 -4.376 1.372 6.512 1.00 0.00 C ATOM 1735 O CYS A 108 -3.932 2.519 6.555 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.950 0.086 8.107 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.258 0.189 9.351 1.00 0.00 S ATOM 0 H CYS A 108 -1.612 0.936 6.000 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.017 -0.728 6.416 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.411 -0.852 8.240 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.236 0.892 8.279 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.296 -0.480 8.946 1.00 0.00 H new ATOM 1743 N THR A 109 -5.668 1.101 6.338 1.00 0.00 N ATOM 1744 CA THR A 109 -6.662 2.160 6.200 1.00 0.00 C ATOM 1745 C THR A 109 -6.675 3.041 7.443 1.00 0.00 C ATOM 1746 O THR A 109 -6.501 2.551 8.559 1.00 0.00 O ATOM 1747 CB THR A 109 -8.076 1.585 6.002 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.433 0.768 7.123 1.00 0.00 O ATOM 1749 CG2 THR A 109 -8.154 0.766 4.728 1.00 0.00 C ATOM 0 H THR A 109 -6.050 0.156 6.289 1.00 0.00 H new ATOM 0 HA THR A 109 -6.386 2.745 5.323 1.00 0.00 H new ATOM 0 HB THR A 109 -8.774 2.418 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.334 0.407 6.991 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.163 0.371 4.611 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.910 1.398 3.874 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.445 -0.060 4.782 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.883 4.338 7.251 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.922 5.271 8.372 1.00 0.00 C ATOM 1759 C ASN A 110 -8.252 6.022 8.411 1.00 0.00 C ATOM 1760 O ASN A 110 -9.234 5.526 8.962 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.753 6.256 8.290 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.623 7.107 9.539 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -6.613 7.605 10.074 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -4.396 7.269 10.020 1.00 0.00 N ATOM 0 H ASN A 110 -7.026 4.766 6.336 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.829 4.697 9.294 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.827 5.704 8.132 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.888 6.905 7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.248 7.823 10.863 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.602 6.839 9.546 1.00 0.00 H new ATOM 1771 N THR A 111 -8.273 7.217 7.821 1.00 0.00 N ATOM 1772 CA THR A 111 -9.478 8.042 7.782 1.00 0.00 C ATOM 1773 C THR A 111 -10.170 8.105 9.143 1.00 0.00 C ATOM 1774 O THR A 111 -11.313 7.669 9.289 1.00 0.00 O ATOM 1775 CB THR A 111 -10.479 7.524 6.729 1.00 0.00 C ATOM 1776 OG1 THR A 111 -10.858 6.175 7.028 1.00 0.00 O ATOM 1777 CG2 THR A 111 -9.878 7.588 5.334 1.00 0.00 C ATOM 0 H THR A 111 -7.464 7.636 7.362 1.00 0.00 H new ATOM 0 HA THR A 111 -9.154 9.046 7.508 1.00 0.00 H new ATOM 0 HB THR A 111 -11.362 8.162 6.759 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.616 5.965 7.954 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.602 7.218 4.608 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.621 8.620 5.096 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.979 6.972 5.296 1.00 0.00 H new ATOM 1785 N ASN A 112 -9.474 8.648 10.139 1.00 0.00 N ATOM 1786 CA ASN A 112 -10.034 8.770 11.481 1.00 0.00 C ATOM 1787 C ASN A 112 -11.237 9.707 11.478 1.00 0.00 C ATOM 1788 O ASN A 112 -11.082 10.925 11.387 1.00 0.00 O ATOM 1789 CB ASN A 112 -8.975 9.283 12.461 1.00 0.00 C ATOM 1790 CG ASN A 112 -8.081 8.174 12.981 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -7.867 7.165 12.310 1.00 0.00 O ATOM 1792 ND2 ASN A 112 -7.555 8.356 14.187 1.00 0.00 N ATOM 0 H ASN A 112 -8.525 9.009 10.042 1.00 0.00 H new ATOM 0 HA ASN A 112 -10.361 7.781 11.803 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -8.363 10.038 11.967 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.468 9.772 13.301 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -6.947 7.644 14.591 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.759 9.208 14.709 1.00 0.00 H new ATOM 1799 N VAL A 113 -12.433 9.121 11.574 1.00 0.00 N ATOM 1800 CA VAL A 113 -13.686 9.879 11.578 1.00 0.00 C ATOM 1801 C VAL A 113 -13.674 10.984 10.518 1.00 0.00 C ATOM 1802 O VAL A 113 -14.304 12.030 10.677 1.00 0.00 O ATOM 1803 CB VAL A 113 -13.993 10.471 12.977 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -13.080 11.645 13.306 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -15.457 10.878 13.078 1.00 0.00 C ATOM 0 H VAL A 113 -12.560 8.112 11.651 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.482 9.178 11.329 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.798 9.692 13.714 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -13.327 12.032 14.295 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.042 11.313 13.295 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.217 12.432 12.564 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -15.652 11.291 14.068 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -15.679 11.630 12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -16.089 10.005 12.918 1.00 0.00 H new ATOM 1815 N LYS A 114 -12.958 10.733 9.424 1.00 0.00 N ATOM 1816 CA LYS A 114 -12.860 11.694 8.330 1.00 0.00 C ATOM 1817 C LYS A 114 -14.043 11.549 7.380 1.00 0.00 C ATOM 1818 O LYS A 114 -14.765 12.513 7.118 1.00 0.00 O ATOM 1819 CB LYS A 114 -11.550 11.495 7.565 1.00 0.00 C ATOM 1820 CG LYS A 114 -10.311 11.554 8.444 1.00 0.00 C ATOM 1821 CD LYS A 114 -10.124 12.933 9.057 1.00 0.00 C ATOM 1822 CE LYS A 114 -8.916 12.973 9.979 1.00 0.00 C ATOM 1823 NZ LYS A 114 -8.721 14.319 10.582 1.00 0.00 N ATOM 0 H LYS A 114 -12.436 9.870 9.272 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.875 12.698 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.579 10.530 7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.472 12.259 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.391 10.811 9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.432 11.296 7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.003 13.671 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.019 13.209 9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.040 12.235 10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.023 12.693 9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.887 14.303 11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.577 15.020 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.562 14.576 11.137 1.00 0.00 H new ATOM 1837 N ASN A 115 -14.232 10.339 6.863 1.00 0.00 N ATOM 1838 CA ASN A 115 -15.328 10.058 5.944 1.00 0.00 C ATOM 1839 C ASN A 115 -16.146 8.867 6.431 1.00 0.00 C ATOM 1840 O ASN A 115 -17.371 8.854 6.317 1.00 0.00 O ATOM 1841 CB ASN A 115 -14.790 9.783 4.539 1.00 0.00 C ATOM 1842 CG ASN A 115 -14.107 10.994 3.934 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -14.464 12.135 4.230 1.00 0.00 O ATOM 1844 ND2 ASN A 115 -13.120 10.752 3.080 1.00 0.00 N ATOM 0 H ASN A 115 -13.638 9.535 7.066 1.00 0.00 H new ATOM 0 HA ASN A 115 -15.975 10.934 5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -14.084 8.953 4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -15.611 9.472 3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.624 11.528 2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -12.857 9.791 2.864 1.00 0.00 H new ATOM 1851 N SER A 116 -15.458 7.869 6.978 1.00 0.00 N ATOM 1852 CA SER A 116 -16.118 6.672 7.487 1.00 0.00 C ATOM 1853 C SER A 116 -15.213 5.922 8.462 1.00 0.00 C ATOM 1854 O SER A 116 -15.291 6.127 9.673 1.00 0.00 O ATOM 1855 CB SER A 116 -16.531 5.757 6.331 1.00 0.00 C ATOM 1856 OG SER A 116 -15.445 5.517 5.454 1.00 0.00 O ATOM 0 H SER A 116 -14.443 7.866 7.080 1.00 0.00 H new ATOM 0 HA SER A 116 -17.014 6.982 8.025 1.00 0.00 H new ATOM 0 HB2 SER A 116 -16.898 4.810 6.727 1.00 0.00 H new ATOM 0 HB3 SER A 116 -17.353 6.212 5.779 1.00 0.00 H new ATOM 0 HG SER A 116 -15.736 4.929 4.726 1.00 0.00 H new ATOM 1862 N SER A 117 -14.351 5.060 7.926 1.00 0.00 N ATOM 1863 CA SER A 117 -13.430 4.280 8.748 1.00 0.00 C ATOM 1864 C SER A 117 -12.506 3.437 7.876 1.00 0.00 C ATOM 1865 O SER A 117 -11.283 3.490 8.014 1.00 0.00 O ATOM 1866 CB SER A 117 -14.205 3.373 9.707 1.00 0.00 C ATOM 1867 OG SER A 117 -15.073 2.505 8.999 1.00 0.00 O ATOM 0 H SER A 117 -14.272 4.884 6.924 1.00 0.00 H new ATOM 0 HA SER A 117 -12.825 4.977 9.328 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.506 2.786 10.303 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.783 3.982 10.402 1.00 0.00 H new ATOM 0 HG SER A 117 -15.555 1.935 9.634 1.00 0.00 H new ATOM 1873 N GLN A 118 -13.101 2.658 6.976 1.00 0.00 N ATOM 1874 CA GLN A 118 -12.336 1.799 6.079 1.00 0.00 C ATOM 1875 C GLN A 118 -13.105 1.540 4.788 1.00 0.00 C ATOM 1876 O GLN A 118 -14.246 1.979 4.637 1.00 0.00 O ATOM 1877 CB GLN A 118 -12.016 0.470 6.767 1.00 0.00 C ATOM 1878 CG GLN A 118 -13.251 -0.302 7.199 1.00 0.00 C ATOM 1879 CD GLN A 118 -12.913 -1.615 7.879 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -11.868 -1.746 8.514 1.00 0.00 O ATOM 1881 NE2 GLN A 118 -13.801 -2.594 7.749 1.00 0.00 N ATOM 0 H GLN A 118 -14.112 2.605 6.849 1.00 0.00 H new ATOM 0 HA GLN A 118 -11.405 2.309 5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.429 -0.149 6.088 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -11.394 0.663 7.641 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.840 0.314 7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -13.875 -0.499 6.327 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.655 -2.440 7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -13.629 -3.500 8.186 1.00 0.00 H new ATOM 1890 N GLU A 119 -12.473 0.821 3.863 1.00 0.00 N ATOM 1891 CA GLU A 119 -13.090 0.495 2.580 1.00 0.00 C ATOM 1892 C GLU A 119 -13.573 1.755 1.865 1.00 0.00 C ATOM 1893 O GLU A 119 -14.740 2.147 2.078 1.00 0.00 O ATOM 1894 CB GLU A 119 -14.258 -0.474 2.783 1.00 0.00 C ATOM 1895 CG GLU A 119 -14.887 -0.951 1.483 1.00 0.00 C ATOM 1896 CD GLU A 119 -16.013 -1.940 1.709 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -17.168 -1.497 1.879 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -15.740 -3.159 1.718 1.00 0.00 O ATOM 1899 OXT GLU A 119 -12.780 2.339 1.098 1.00 0.00 O ATOM 0 H GLU A 119 -11.529 0.452 3.979 1.00 0.00 H new ATOM 0 HA GLU A 119 -12.335 0.017 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.908 -1.339 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -15.022 0.013 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.268 -0.092 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.121 -1.414 0.861 1.00 0.00 H new TER 1906 GLU A 119