USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 669 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 16 THR OG1 : rot 180:sc= 0.911 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -133:sc= 0.941 (180deg=0.727) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0888 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.189 X(o=0.19,f=-0.062) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.451 X(o=0.45,f=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.083) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.53 K(o=0.53,f=-0.0018) USER MOD Single : A 27 SER OG : rot 45:sc= 0.679 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00191 USER MOD Single : A 55 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.45) USER MOD Single : A 58 MET CE :methyl 154:sc= 0 (180deg=-0.884) USER MOD Single : A 64 GLN : amide:sc= 0.844 K(o=0.84,f=-0.23) USER MOD Single : A 65 HIS : no HD1:sc= -0.306 K(o=-0.31,f=-6.3!) USER MOD Single : A 67 THR OG1 : rot -75:sc= 1.31 USER MOD Single : A 72 LYS NZ :NH3+ -139:sc= 0.659 (180deg=0.0159) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.0329 (180deg=-0.287) USER MOD Single : A 75 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.48) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.172 9.474 5.125 1.00 73.33 N ATOM 2 CA GLY A 1 -15.041 9.548 3.942 1.00 3.43 C ATOM 3 C GLY A 1 -14.940 8.281 3.113 1.00 13.45 C ATOM 4 O GLY A 1 -14.493 7.243 3.605 1.00 40.23 O ATOM 0 H1 GLY A 1 -14.717 9.729 5.973 1.00 73.33 H new ATOM 0 H2 GLY A 1 -13.806 8.506 5.227 1.00 73.33 H new ATOM 0 H3 GLY A 1 -13.377 10.135 5.013 1.00 73.33 H new ATOM 0 HA2 GLY A 1 -16.074 9.701 4.254 1.00 3.43 H new ATOM 0 HA3 GLY A 1 -14.761 10.408 3.334 1.00 3.43 H new ATOM 8 N ASN A 2 -15.337 8.342 1.840 1.00 44.33 N ATOM 9 CA ASN A 2 -15.303 7.190 0.936 1.00 62.14 C ATOM 10 C ASN A 2 -13.904 6.834 0.407 1.00 44.22 C ATOM 11 O ASN A 2 -13.810 6.107 -0.575 1.00 25.13 O ATOM 12 CB ASN A 2 -16.295 7.368 -0.226 1.00 30.02 C ATOM 13 CG ASN A 2 -15.869 8.442 -1.215 1.00 25.32 C ATOM 14 OD1 ASN A 2 -16.168 9.610 -0.987 1.00 21.03 O ATOM 15 ND2 ASN A 2 -15.183 8.097 -2.293 1.00 62.34 N ATOM 0 H ASN A 2 -15.692 9.194 1.406 1.00 44.33 H new ATOM 0 HA ASN A 2 -15.609 6.341 1.547 1.00 62.14 H new ATOM 0 HB2 ASN A 2 -16.402 6.420 -0.753 1.00 30.02 H new ATOM 0 HB3 ASN A 2 -17.276 7.622 0.177 1.00 30.02 H new ATOM 0 HD21 ASN A 2 -14.889 8.810 -2.960 1.00 62.34 H new ATOM 0 HD22 ASN A 2 -14.949 7.118 -2.457 1.00 62.34 H new ATOM 22 N ARG A 3 -12.804 7.305 0.996 1.00 13.22 N ATOM 23 CA ARG A 3 -11.446 7.002 0.536 1.00 32.21 C ATOM 24 C ARG A 3 -10.575 6.737 1.754 1.00 35.14 C ATOM 25 O ARG A 3 -10.706 7.455 2.746 1.00 63.01 O ATOM 26 CB ARG A 3 -10.951 8.210 -0.279 1.00 35.54 C ATOM 27 CG ARG A 3 -9.467 8.238 -0.686 1.00 62.20 C ATOM 28 CD ARG A 3 -8.991 7.344 -1.829 1.00 3.14 C ATOM 29 NE ARG A 3 -9.768 7.556 -3.066 1.00 24.45 N ATOM 30 CZ ARG A 3 -9.394 7.261 -4.317 1.00 73.31 C ATOM 31 NH1 ARG A 3 -8.132 7.183 -4.705 1.00 53.23 N ATOM 32 NH2 ARG A 3 -10.311 7.013 -5.234 1.00 4.32 N ATOM 0 H ARG A 3 -12.830 7.914 1.814 1.00 13.22 H new ATOM 0 HA ARG A 3 -11.411 6.116 -0.098 1.00 32.21 H new ATOM 0 HB2 ARG A 3 -11.549 8.269 -1.188 1.00 35.54 H new ATOM 0 HB3 ARG A 3 -11.158 9.111 0.298 1.00 35.54 H new ATOM 0 HG2 ARG A 3 -9.218 9.266 -0.948 1.00 62.20 H new ATOM 0 HG3 ARG A 3 -8.880 7.983 0.196 1.00 62.20 H new ATOM 0 HD2 ARG A 3 -7.937 7.540 -2.026 1.00 3.14 H new ATOM 0 HD3 ARG A 3 -9.070 6.299 -1.527 1.00 3.14 H new ATOM 0 HE ARG A 3 -10.692 7.973 -2.955 1.00 24.45 H new ATOM 0 HH11 ARG A 3 -7.381 7.352 -4.036 1.00 53.23 H new ATOM 0 HH12 ARG A 3 -7.910 6.954 -5.674 1.00 53.23 H new ATOM 0 HH21 ARG A 3 -11.300 7.047 -4.988 1.00 4.32 H new ATOM 0 HH22 ARG A 3 -10.030 6.788 -6.188 1.00 4.32 H new ATOM 46 N PHE A 4 -9.716 5.727 1.672 1.00 34.22 N ATOM 47 CA PHE A 4 -8.776 5.321 2.710 1.00 55.41 C ATOM 48 C PHE A 4 -7.400 5.229 2.062 1.00 5.05 C ATOM 49 O PHE A 4 -7.308 5.138 0.831 1.00 43.15 O ATOM 50 CB PHE A 4 -9.164 3.967 3.316 1.00 33.53 C ATOM 51 CG PHE A 4 -10.453 3.912 4.115 1.00 34.22 C ATOM 52 CD1 PHE A 4 -11.700 3.828 3.464 1.00 1.10 C ATOM 53 CD2 PHE A 4 -10.399 3.848 5.520 1.00 23.21 C ATOM 54 CE1 PHE A 4 -12.881 3.672 4.213 1.00 14.52 C ATOM 55 CE2 PHE A 4 -11.576 3.667 6.265 1.00 65.54 C ATOM 56 CZ PHE A 4 -12.817 3.577 5.613 1.00 32.42 C ATOM 0 H PHE A 4 -9.653 5.141 0.840 1.00 34.22 H new ATOM 0 HA PHE A 4 -8.782 6.048 3.522 1.00 55.41 H new ATOM 0 HB2 PHE A 4 -9.237 3.242 2.505 1.00 33.53 H new ATOM 0 HB3 PHE A 4 -8.350 3.640 3.963 1.00 33.53 H new ATOM 0 HD1 PHE A 4 -11.749 3.884 2.387 1.00 1.10 H new ATOM 0 HD2 PHE A 4 -9.450 3.938 6.027 1.00 23.21 H new ATOM 0 HE1 PHE A 4 -13.836 3.625 3.712 1.00 14.52 H new ATOM 0 HE2 PHE A 4 -11.527 3.597 7.342 1.00 65.54 H new ATOM 0 HZ PHE A 4 -13.721 3.435 6.187 1.00 32.42 H new ATOM 66 N ILE A 5 -6.345 5.326 2.875 1.00 11.32 N ATOM 67 CA ILE A 5 -4.959 5.269 2.433 1.00 35.45 C ATOM 68 C ILE A 5 -4.148 4.350 3.361 1.00 13.14 C ATOM 69 O ILE A 5 -4.372 4.283 4.573 1.00 64.14 O ATOM 70 CB ILE A 5 -4.391 6.709 2.359 1.00 64.25 C ATOM 71 CG1 ILE A 5 -5.124 7.569 1.290 1.00 24.14 C ATOM 72 CG2 ILE A 5 -2.893 6.735 1.968 1.00 44.12 C ATOM 73 CD1 ILE A 5 -5.222 9.056 1.621 1.00 33.22 C ATOM 0 H ILE A 5 -6.439 5.449 3.883 1.00 11.32 H new ATOM 0 HA ILE A 5 -4.892 4.838 1.434 1.00 35.45 H new ATOM 0 HB ILE A 5 -4.537 7.113 3.361 1.00 64.25 H new ATOM 0 HG12 ILE A 5 -4.607 7.457 0.337 1.00 24.14 H new ATOM 0 HG13 ILE A 5 -6.131 7.174 1.155 1.00 24.14 H new ATOM 0 HG21 ILE A 5 -2.545 7.767 1.930 1.00 44.12 H new ATOM 0 HG22 ILE A 5 -2.314 6.183 2.709 1.00 44.12 H new ATOM 0 HG23 ILE A 5 -2.764 6.273 0.989 1.00 44.12 H new ATOM 0 HD11 ILE A 5 -5.748 9.573 0.819 1.00 33.22 H new ATOM 0 HD12 ILE A 5 -5.768 9.186 2.556 1.00 33.22 H new ATOM 0 HD13 ILE A 5 -4.220 9.472 1.725 1.00 33.22 H new ATOM 85 N VAL A 6 -3.173 3.654 2.784 1.00 63.23 N ATOM 86 CA VAL A 6 -2.253 2.748 3.455 1.00 71.32 C ATOM 87 C VAL A 6 -0.938 3.517 3.583 1.00 5.00 C ATOM 88 O VAL A 6 -0.438 4.051 2.587 1.00 2.40 O ATOM 89 CB VAL A 6 -2.046 1.472 2.612 1.00 40.42 C ATOM 90 CG1 VAL A 6 -1.131 0.445 3.288 1.00 63.24 C ATOM 91 CG2 VAL A 6 -3.363 0.769 2.280 1.00 53.32 C ATOM 0 H VAL A 6 -2.996 3.712 1.781 1.00 63.23 H new ATOM 0 HA VAL A 6 -2.634 2.434 4.427 1.00 71.32 H new ATOM 0 HB VAL A 6 -1.573 1.832 1.698 1.00 40.42 H new ATOM 0 HG11 VAL A 6 -1.026 -0.428 2.644 1.00 63.24 H new ATOM 0 HG12 VAL A 6 -0.150 0.889 3.460 1.00 63.24 H new ATOM 0 HG13 VAL A 6 -1.565 0.143 4.241 1.00 63.24 H new ATOM 0 HG21 VAL A 6 -3.160 -0.122 1.686 1.00 53.32 H new ATOM 0 HG22 VAL A 6 -3.865 0.482 3.204 1.00 53.32 H new ATOM 0 HG23 VAL A 6 -4.003 1.445 1.713 1.00 53.32 H new ATOM 101 N PHE A 7 -0.399 3.612 4.798 1.00 52.40 N ATOM 102 CA PHE A 7 0.857 4.284 5.080 1.00 61.54 C ATOM 103 C PHE A 7 1.936 3.200 5.107 1.00 74.20 C ATOM 104 O PHE A 7 1.991 2.453 6.087 1.00 14.25 O ATOM 105 CB PHE A 7 0.797 5.000 6.444 1.00 0.02 C ATOM 106 CG PHE A 7 2.085 5.738 6.742 1.00 31.23 C ATOM 107 CD1 PHE A 7 2.400 6.923 6.056 1.00 74.23 C ATOM 108 CD2 PHE A 7 3.034 5.165 7.604 1.00 44.40 C ATOM 109 CE1 PHE A 7 3.682 7.478 6.167 1.00 2.33 C ATOM 110 CE2 PHE A 7 4.321 5.708 7.711 1.00 45.20 C ATOM 111 CZ PHE A 7 4.647 6.850 6.967 1.00 31.01 C ATOM 0 H PHE A 7 -0.838 3.213 5.628 1.00 52.40 H new ATOM 0 HA PHE A 7 1.069 5.039 4.323 1.00 61.54 H new ATOM 0 HB2 PHE A 7 -0.036 5.703 6.450 1.00 0.02 H new ATOM 0 HB3 PHE A 7 0.604 4.270 7.231 1.00 0.02 H new ATOM 0 HD1 PHE A 7 1.654 7.406 5.443 1.00 74.23 H new ATOM 0 HD2 PHE A 7 2.769 4.297 8.190 1.00 44.40 H new ATOM 0 HE1 PHE A 7 3.926 8.387 5.638 1.00 2.33 H new ATOM 0 HE2 PHE A 7 5.054 5.252 8.360 1.00 45.20 H new ATOM 0 HZ PHE A 7 5.649 7.249 7.010 1.00 31.01 H new ATOM 121 N VAL A 8 2.785 3.078 4.086 1.00 44.14 N ATOM 122 CA VAL A 8 3.849 2.068 4.057 1.00 32.12 C ATOM 123 C VAL A 8 5.200 2.779 4.112 1.00 15.24 C ATOM 124 O VAL A 8 5.345 3.813 3.456 1.00 5.21 O ATOM 125 CB VAL A 8 3.754 1.180 2.794 1.00 41.42 C ATOM 126 CG1 VAL A 8 4.617 -0.081 2.962 1.00 62.11 C ATOM 127 CG2 VAL A 8 2.324 0.737 2.465 1.00 50.23 C ATOM 0 H VAL A 8 2.757 3.673 3.258 1.00 44.14 H new ATOM 0 HA VAL A 8 3.738 1.411 4.919 1.00 32.12 H new ATOM 0 HB VAL A 8 4.113 1.799 1.972 1.00 41.42 H new ATOM 0 HG11 VAL A 8 4.540 -0.696 2.066 1.00 62.11 H new ATOM 0 HG12 VAL A 8 5.657 0.208 3.116 1.00 62.11 H new ATOM 0 HG13 VAL A 8 4.267 -0.650 3.823 1.00 62.11 H new ATOM 0 HG21 VAL A 8 2.332 0.118 1.568 1.00 50.23 H new ATOM 0 HG22 VAL A 8 1.920 0.163 3.299 1.00 50.23 H new ATOM 0 HG23 VAL A 8 1.701 1.615 2.294 1.00 50.23 H new ATOM 137 N GLY A 9 6.189 2.277 4.862 1.00 14.23 N ATOM 138 CA GLY A 9 7.508 2.909 4.917 1.00 23.32 C ATOM 139 C GLY A 9 8.631 1.905 5.147 1.00 62.44 C ATOM 140 O GLY A 9 8.381 0.709 5.302 1.00 22.52 O ATOM 0 H GLY A 9 6.099 1.439 5.436 1.00 14.23 H new ATOM 0 HA2 GLY A 9 7.689 3.444 3.985 1.00 23.32 H new ATOM 0 HA3 GLY A 9 7.519 3.650 5.717 1.00 23.32 H new ATOM 144 N SER A 10 9.862 2.428 5.170 1.00 40.44 N ATOM 145 CA SER A 10 11.153 1.760 5.353 1.00 0.15 C ATOM 146 C SER A 10 11.704 1.205 4.026 1.00 70.52 C ATOM 147 O SER A 10 12.730 0.520 4.014 1.00 63.22 O ATOM 148 CB SER A 10 11.054 0.639 6.405 1.00 24.01 C ATOM 149 OG SER A 10 12.169 0.624 7.274 1.00 74.21 O ATOM 0 H SER A 10 9.990 3.433 5.048 1.00 40.44 H new ATOM 0 HA SER A 10 11.853 2.513 5.715 1.00 0.15 H new ATOM 0 HB2 SER A 10 10.142 0.769 6.988 1.00 24.01 H new ATOM 0 HB3 SER A 10 10.975 -0.324 5.901 1.00 24.01 H new ATOM 0 HG SER A 10 12.066 -0.100 7.926 1.00 74.21 H new ATOM 155 N LEU A 11 11.048 1.495 2.900 1.00 64.34 N ATOM 156 CA LEU A 11 11.359 1.031 1.546 1.00 10.10 C ATOM 157 C LEU A 11 12.846 1.127 1.138 1.00 73.03 C ATOM 158 O LEU A 11 13.534 2.062 1.564 1.00 70.44 O ATOM 159 CB LEU A 11 10.447 1.740 0.528 1.00 51.43 C ATOM 160 CG LEU A 11 9.016 1.163 0.458 1.00 2.02 C ATOM 161 CD1 LEU A 11 8.252 1.176 1.788 1.00 42.11 C ATOM 162 CD2 LEU A 11 8.193 1.990 -0.522 1.00 15.54 C ATOM 0 H LEU A 11 10.229 2.102 2.911 1.00 64.34 H new ATOM 0 HA LEU A 11 11.158 -0.040 1.547 1.00 10.10 H new ATOM 0 HB2 LEU A 11 10.389 2.798 0.783 1.00 51.43 H new ATOM 0 HB3 LEU A 11 10.903 1.675 -0.460 1.00 51.43 H new ATOM 0 HG LEU A 11 9.142 0.123 0.155 1.00 2.02 H new ATOM 0 HD11 LEU A 11 7.259 0.752 1.641 1.00 42.11 H new ATOM 0 HD12 LEU A 11 8.794 0.583 2.525 1.00 42.11 H new ATOM 0 HD13 LEU A 11 8.160 2.202 2.145 1.00 42.11 H new ATOM 0 HD21 LEU A 11 7.181 1.588 -0.577 1.00 15.54 H new ATOM 0 HD22 LEU A 11 8.155 3.025 -0.182 1.00 15.54 H new ATOM 0 HD23 LEU A 11 8.654 1.949 -1.509 1.00 15.54 H new ATOM 174 N PRO A 12 13.321 0.204 0.274 1.00 3.25 N ATOM 175 CA PRO A 12 14.690 0.123 -0.228 1.00 25.23 C ATOM 176 C PRO A 12 15.060 1.269 -1.166 1.00 20.14 C ATOM 177 O PRO A 12 14.234 2.121 -1.504 1.00 54.32 O ATOM 178 CB PRO A 12 14.793 -1.209 -0.993 1.00 50.42 C ATOM 179 CG PRO A 12 13.372 -1.693 -1.213 1.00 21.21 C ATOM 180 CD PRO A 12 12.536 -0.907 -0.226 1.00 42.10 C ATOM 0 HA PRO A 12 15.379 0.188 0.614 1.00 25.23 H new ATOM 0 HB2 PRO A 12 15.307 -1.071 -1.944 1.00 50.42 H new ATOM 0 HB3 PRO A 12 15.367 -1.940 -0.423 1.00 50.42 H new ATOM 0 HG2 PRO A 12 13.047 -1.512 -2.238 1.00 21.21 H new ATOM 0 HG3 PRO A 12 13.288 -2.765 -1.036 1.00 21.21 H new ATOM 0 HD2 PRO A 12 11.629 -0.541 -0.707 1.00 42.10 H new ATOM 0 HD3 PRO A 12 12.223 -1.548 0.598 1.00 42.10 H new ATOM 188 N ARG A 13 16.330 1.293 -1.573 1.00 41.54 N ATOM 189 CA ARG A 13 16.852 2.294 -2.496 1.00 51.34 C ATOM 190 C ARG A 13 16.422 1.902 -3.904 1.00 5.01 C ATOM 191 O ARG A 13 15.920 2.751 -4.633 1.00 51.54 O ATOM 192 CB ARG A 13 18.386 2.357 -2.420 1.00 14.15 C ATOM 193 CG ARG A 13 18.917 2.823 -1.059 1.00 5.22 C ATOM 194 CD ARG A 13 18.914 4.344 -0.910 1.00 42.24 C ATOM 195 NE ARG A 13 19.057 4.707 0.507 1.00 52.35 N ATOM 196 CZ ARG A 13 18.075 5.021 1.355 1.00 40.23 C ATOM 197 NH1 ARG A 13 16.832 5.246 0.942 1.00 21.22 N ATOM 198 NH2 ARG A 13 18.347 5.104 2.649 1.00 54.25 N ATOM 0 H ARG A 13 17.027 0.613 -1.268 1.00 41.54 H new ATOM 0 HA ARG A 13 16.462 3.277 -2.233 1.00 51.34 H new ATOM 0 HB2 ARG A 13 18.793 1.370 -2.640 1.00 14.15 H new ATOM 0 HB3 ARG A 13 18.752 3.032 -3.193 1.00 14.15 H new ATOM 0 HG2 ARG A 13 18.309 2.384 -0.268 1.00 5.22 H new ATOM 0 HG3 ARG A 13 19.933 2.452 -0.924 1.00 5.22 H new ATOM 0 HD2 ARG A 13 19.729 4.777 -1.490 1.00 42.24 H new ATOM 0 HD3 ARG A 13 17.987 4.756 -1.308 1.00 42.24 H new ATOM 0 HE ARG A 13 20.006 4.720 0.882 1.00 52.35 H new ATOM 0 HH11 ARG A 13 16.605 5.181 -0.050 1.00 21.22 H new ATOM 0 HH12 ARG A 13 16.105 5.484 1.617 1.00 21.22 H new ATOM 0 HH21 ARG A 13 19.295 4.929 2.983 1.00 54.25 H new ATOM 0 HH22 ARG A 13 17.609 5.343 3.311 1.00 54.25 H new ATOM 212 N ASP A 14 16.567 0.622 -4.259 1.00 12.43 N ATOM 213 CA ASP A 14 16.225 0.045 -5.561 1.00 1.21 C ATOM 214 C ASP A 14 14.746 -0.338 -5.673 1.00 22.24 C ATOM 215 O ASP A 14 14.381 -1.240 -6.433 1.00 25.12 O ATOM 216 CB ASP A 14 17.183 -1.077 -5.954 1.00 61.30 C ATOM 217 CG ASP A 14 18.596 -0.570 -6.229 1.00 41.30 C ATOM 218 OD1 ASP A 14 18.742 0.352 -7.065 1.00 13.44 O ATOM 219 OD2 ASP A 14 19.568 -1.058 -5.607 1.00 24.21 O ATOM 0 H ASP A 14 16.944 -0.073 -3.615 1.00 12.43 H new ATOM 0 HA ASP A 14 16.364 0.831 -6.304 1.00 1.21 H new ATOM 0 HB2 ASP A 14 17.216 -1.819 -5.156 1.00 61.30 H new ATOM 0 HB3 ASP A 14 16.802 -1.581 -6.842 1.00 61.30 H new ATOM 224 N ILE A 15 13.878 0.262 -4.851 1.00 34.52 N ATOM 225 CA ILE A 15 12.447 -0.008 -4.919 1.00 21.44 C ATOM 226 C ILE A 15 11.958 0.425 -6.307 1.00 24.22 C ATOM 227 O ILE A 15 12.410 1.442 -6.833 1.00 30.05 O ATOM 228 CB ILE A 15 11.681 0.725 -3.797 1.00 53.53 C ATOM 229 CG1 ILE A 15 10.174 0.377 -3.846 1.00 63.03 C ATOM 230 CG2 ILE A 15 11.869 2.253 -3.820 1.00 52.02 C ATOM 231 CD1 ILE A 15 9.862 -1.065 -3.458 1.00 45.35 C ATOM 0 H ILE A 15 14.146 0.936 -4.134 1.00 34.52 H new ATOM 0 HA ILE A 15 12.259 -1.071 -4.771 1.00 21.44 H new ATOM 0 HB ILE A 15 12.112 0.371 -2.860 1.00 53.53 H new ATOM 0 HG12 ILE A 15 9.634 1.048 -3.178 1.00 63.03 H new ATOM 0 HG13 ILE A 15 9.801 0.561 -4.853 1.00 63.03 H new ATOM 0 HG21 ILE A 15 11.302 2.702 -3.004 1.00 52.02 H new ATOM 0 HG22 ILE A 15 12.926 2.491 -3.702 1.00 52.02 H new ATOM 0 HG23 ILE A 15 11.512 2.649 -4.771 1.00 52.02 H new ATOM 0 HD11 ILE A 15 8.787 -1.233 -3.516 1.00 45.35 H new ATOM 0 HD12 ILE A 15 10.373 -1.744 -4.141 1.00 45.35 H new ATOM 0 HD13 ILE A 15 10.203 -1.250 -2.439 1.00 45.35 H new ATOM 243 N THR A 16 11.034 -0.316 -6.909 1.00 43.14 N ATOM 244 CA THR A 16 10.481 0.006 -8.206 1.00 64.04 C ATOM 245 C THR A 16 8.970 -0.021 -8.101 1.00 50.41 C ATOM 246 O THR A 16 8.421 -0.834 -7.352 1.00 1.34 O ATOM 247 CB THR A 16 10.912 -1.046 -9.241 1.00 23.02 C ATOM 248 OG1 THR A 16 12.136 -1.665 -8.899 1.00 62.33 O ATOM 249 CG2 THR A 16 11.036 -0.419 -10.620 1.00 13.51 C ATOM 0 H THR A 16 10.648 -1.166 -6.499 1.00 43.14 H new ATOM 0 HA THR A 16 10.837 0.988 -8.517 1.00 64.04 H new ATOM 0 HB THR A 16 10.137 -1.812 -9.250 1.00 23.02 H new ATOM 0 HG1 THR A 16 12.370 -2.327 -9.583 1.00 62.33 H new ATOM 0 HG21 THR A 16 11.342 -1.179 -11.339 1.00 13.51 H new ATOM 0 HG22 THR A 16 10.074 -0.003 -10.919 1.00 13.51 H new ATOM 0 HG23 THR A 16 11.782 0.376 -10.593 1.00 13.51 H new ATOM 257 N ALA A 17 8.312 0.797 -8.918 1.00 52.12 N ATOM 258 CA ALA A 17 6.864 0.856 -8.991 1.00 44.23 C ATOM 259 C ALA A 17 6.332 -0.524 -9.389 1.00 75.42 C ATOM 260 O ALA A 17 5.264 -0.924 -8.941 1.00 21.52 O ATOM 261 CB ALA A 17 6.514 1.864 -10.076 1.00 51.05 C ATOM 0 H ALA A 17 8.780 1.443 -9.554 1.00 52.12 H new ATOM 0 HA ALA A 17 6.428 1.145 -8.035 1.00 44.23 H new ATOM 0 HB1 ALA A 17 5.430 1.941 -10.166 1.00 51.05 H new ATOM 0 HB2 ALA A 17 6.926 2.838 -9.814 1.00 51.05 H new ATOM 0 HB3 ALA A 17 6.934 1.536 -11.027 1.00 51.05 H new ATOM 267 N VAL A 18 7.100 -1.260 -10.198 1.00 50.22 N ATOM 268 CA VAL A 18 6.779 -2.595 -10.668 1.00 43.52 C ATOM 269 C VAL A 18 6.624 -3.538 -9.482 1.00 74.10 C ATOM 270 O VAL A 18 5.639 -4.279 -9.438 1.00 74.25 O ATOM 271 CB VAL A 18 7.879 -3.090 -11.635 1.00 70.12 C ATOM 272 CG1 VAL A 18 7.660 -4.543 -12.084 1.00 74.12 C ATOM 273 CG2 VAL A 18 7.965 -2.196 -12.881 1.00 24.44 C ATOM 0 H VAL A 18 7.995 -0.922 -10.552 1.00 50.22 H new ATOM 0 HA VAL A 18 5.834 -2.573 -11.211 1.00 43.52 H new ATOM 0 HB VAL A 18 8.813 -3.039 -11.076 1.00 70.12 H new ATOM 0 HG11 VAL A 18 8.461 -4.839 -12.762 1.00 74.12 H new ATOM 0 HG12 VAL A 18 7.662 -5.197 -11.212 1.00 74.12 H new ATOM 0 HG13 VAL A 18 6.702 -4.625 -12.597 1.00 74.12 H new ATOM 0 HG21 VAL A 18 8.747 -2.568 -13.543 1.00 24.44 H new ATOM 0 HG22 VAL A 18 7.009 -2.209 -13.405 1.00 24.44 H new ATOM 0 HG23 VAL A 18 8.200 -1.175 -12.581 1.00 24.44 H new ATOM 283 N GLU A 19 7.581 -3.544 -8.544 1.00 65.44 N ATOM 284 CA GLU A 19 7.479 -4.443 -7.408 1.00 25.03 C ATOM 285 C GLU A 19 6.344 -3.988 -6.512 1.00 73.42 C ATOM 286 O GLU A 19 5.651 -4.834 -5.968 1.00 43.13 O ATOM 287 CB GLU A 19 8.823 -4.592 -6.674 1.00 22.10 C ATOM 288 CG GLU A 19 9.594 -5.818 -7.197 1.00 21.25 C ATOM 289 CD GLU A 19 8.994 -7.156 -6.730 1.00 53.24 C ATOM 290 OE1 GLU A 19 7.951 -7.579 -7.285 1.00 31.40 O ATOM 291 OE2 GLU A 19 9.569 -7.766 -5.799 1.00 14.13 O ATOM 0 H GLU A 19 8.410 -2.950 -8.555 1.00 65.44 H new ATOM 0 HA GLU A 19 7.241 -5.448 -7.757 1.00 25.03 H new ATOM 0 HB2 GLU A 19 9.422 -3.692 -6.815 1.00 22.10 H new ATOM 0 HB3 GLU A 19 8.649 -4.695 -5.603 1.00 22.10 H new ATOM 0 HG2 GLU A 19 9.607 -5.793 -8.287 1.00 21.25 H new ATOM 0 HG3 GLU A 19 10.630 -5.756 -6.865 1.00 21.25 H new ATOM 298 N LEU A 20 6.105 -2.682 -6.386 1.00 55.04 N ATOM 299 CA LEU A 20 5.007 -2.193 -5.565 1.00 14.13 C ATOM 300 C LEU A 20 3.681 -2.680 -6.147 1.00 2.44 C ATOM 301 O LEU A 20 2.862 -3.240 -5.422 1.00 13.53 O ATOM 302 CB LEU A 20 5.032 -0.662 -5.477 1.00 13.11 C ATOM 303 CG LEU A 20 6.173 -0.108 -4.618 1.00 72.12 C ATOM 304 CD1 LEU A 20 6.126 1.416 -4.641 1.00 51.42 C ATOM 305 CD2 LEU A 20 6.092 -0.565 -3.161 1.00 20.35 C ATOM 0 H LEU A 20 6.655 -1.952 -6.840 1.00 55.04 H new ATOM 0 HA LEU A 20 5.118 -2.584 -4.554 1.00 14.13 H new ATOM 0 HB2 LEU A 20 5.116 -0.251 -6.483 1.00 13.11 H new ATOM 0 HB3 LEU A 20 4.082 -0.316 -5.069 1.00 13.11 H new ATOM 0 HG LEU A 20 7.103 -0.488 -5.041 1.00 72.12 H new ATOM 0 HD11 LEU A 20 6.937 1.814 -4.031 1.00 51.42 H new ATOM 0 HD12 LEU A 20 6.237 1.768 -5.667 1.00 51.42 H new ATOM 0 HD13 LEU A 20 5.170 1.757 -4.242 1.00 51.42 H new ATOM 0 HD21 LEU A 20 6.925 -0.142 -2.600 1.00 20.35 H new ATOM 0 HD22 LEU A 20 5.152 -0.226 -2.725 1.00 20.35 H new ATOM 0 HD23 LEU A 20 6.141 -1.653 -3.118 1.00 20.35 H new ATOM 317 N GLN A 21 3.460 -2.495 -7.451 1.00 44.11 N ATOM 318 CA GLN A 21 2.229 -2.921 -8.086 1.00 61.14 C ATOM 319 C GLN A 21 2.043 -4.427 -7.934 1.00 15.12 C ATOM 320 O GLN A 21 0.916 -4.866 -7.723 1.00 41.41 O ATOM 321 CB GLN A 21 2.198 -2.499 -9.558 1.00 72.23 C ATOM 322 CG GLN A 21 2.028 -0.979 -9.696 1.00 42.41 C ATOM 323 CD GLN A 21 0.893 -0.606 -10.641 1.00 3.22 C ATOM 324 OE1 GLN A 21 1.138 -0.163 -11.760 1.00 42.54 O ATOM 325 NE2 GLN A 21 -0.353 -0.815 -10.249 1.00 70.44 N ATOM 0 H GLN A 21 4.126 -2.050 -8.083 1.00 44.11 H new ATOM 0 HA GLN A 21 1.395 -2.428 -7.587 1.00 61.14 H new ATOM 0 HB2 GLN A 21 3.121 -2.810 -10.048 1.00 72.23 H new ATOM 0 HB3 GLN A 21 1.379 -3.007 -10.068 1.00 72.23 H new ATOM 0 HG2 GLN A 21 1.837 -0.547 -8.714 1.00 42.41 H new ATOM 0 HG3 GLN A 21 2.959 -0.543 -10.060 1.00 42.41 H new ATOM 0 HE21 GLN A 21 -0.539 -1.183 -9.316 1.00 70.44 H new ATOM 0 HE22 GLN A 21 -1.128 -0.608 -10.879 1.00 70.44 H new ATOM 334 N ASN A 22 3.120 -5.209 -8.019 1.00 5.33 N ATOM 335 CA ASN A 22 3.073 -6.654 -7.871 1.00 20.42 C ATOM 336 C ASN A 22 2.760 -7.041 -6.425 1.00 20.34 C ATOM 337 O ASN A 22 1.836 -7.810 -6.168 1.00 10.22 O ATOM 338 CB ASN A 22 4.414 -7.270 -8.291 1.00 14.41 C ATOM 339 CG ASN A 22 4.525 -8.696 -7.770 1.00 1.32 C ATOM 340 OD1 ASN A 22 3.725 -9.551 -8.135 1.00 44.34 O ATOM 341 ND2 ASN A 22 5.498 -8.968 -6.919 1.00 35.11 N ATOM 0 H ASN A 22 4.057 -4.847 -8.195 1.00 5.33 H new ATOM 0 HA ASN A 22 2.281 -7.037 -8.514 1.00 20.42 H new ATOM 0 HB2 ASN A 22 4.500 -7.265 -9.378 1.00 14.41 H new ATOM 0 HB3 ASN A 22 5.236 -6.668 -7.903 1.00 14.41 H new ATOM 0 HD21 ASN A 22 5.600 -9.912 -6.546 1.00 35.11 H new ATOM 0 HD22 ASN A 22 6.147 -8.234 -6.635 1.00 35.11 H new ATOM 348 N HIS A 23 3.486 -6.495 -5.454 1.00 70.03 N ATOM 349 CA HIS A 23 3.272 -6.825 -4.055 1.00 60.33 C ATOM 350 C HIS A 23 1.884 -6.409 -3.569 1.00 72.12 C ATOM 351 O HIS A 23 1.381 -7.010 -2.621 1.00 63.10 O ATOM 352 CB HIS A 23 4.405 -6.273 -3.182 1.00 3.24 C ATOM 353 CG HIS A 23 5.102 -7.376 -2.428 1.00 11.20 C ATOM 354 ND1 HIS A 23 6.221 -8.079 -2.885 1.00 33.23 N ATOM 355 CD2 HIS A 23 4.683 -7.910 -1.246 1.00 74.24 C ATOM 356 CE1 HIS A 23 6.464 -9.008 -1.944 1.00 23.10 C ATOM 357 NE2 HIS A 23 5.560 -8.925 -0.952 1.00 3.31 N ATOM 0 H HIS A 23 4.232 -5.818 -5.616 1.00 70.03 H new ATOM 0 HA HIS A 23 3.300 -7.910 -3.960 1.00 60.33 H new ATOM 0 HB2 HIS A 23 5.125 -5.746 -3.808 1.00 3.24 H new ATOM 0 HB3 HIS A 23 4.002 -5.546 -2.477 1.00 3.24 H new ATOM 0 HD2 HIS A 23 3.832 -7.598 -0.659 1.00 74.24 H new ATOM 0 HE1 HIS A 23 7.273 -9.722 -1.980 1.00 23.10 H new ATOM 0 HE2 HIS A 23 5.531 -9.516 -0.121 1.00 3.31 H new ATOM 365 N PHE A 24 1.225 -5.426 -4.195 1.00 42.00 N ATOM 366 CA PHE A 24 -0.121 -4.965 -3.826 1.00 2.03 C ATOM 367 C PHE A 24 -1.172 -5.385 -4.868 1.00 63.44 C ATOM 368 O PHE A 24 -2.339 -5.014 -4.783 1.00 0.40 O ATOM 369 CB PHE A 24 -0.119 -3.469 -3.487 1.00 70.30 C ATOM 370 CG PHE A 24 0.646 -3.149 -2.212 1.00 2.34 C ATOM 371 CD1 PHE A 24 0.051 -3.319 -0.945 1.00 70.35 C ATOM 372 CD2 PHE A 24 1.970 -2.690 -2.286 1.00 51.42 C ATOM 373 CE1 PHE A 24 0.776 -3.036 0.230 1.00 21.41 C ATOM 374 CE2 PHE A 24 2.687 -2.375 -1.122 1.00 0.44 C ATOM 375 CZ PHE A 24 2.093 -2.552 0.140 1.00 24.42 C ATOM 0 H PHE A 24 1.619 -4.919 -4.987 1.00 42.00 H new ATOM 0 HA PHE A 24 -0.424 -5.469 -2.908 1.00 2.03 H new ATOM 0 HB2 PHE A 24 0.320 -2.915 -4.316 1.00 70.30 H new ATOM 0 HB3 PHE A 24 -1.148 -3.124 -3.383 1.00 70.30 H new ATOM 0 HD1 PHE A 24 -0.968 -3.669 -0.874 1.00 70.35 H new ATOM 0 HD2 PHE A 24 2.443 -2.578 -3.251 1.00 51.42 H new ATOM 0 HE1 PHE A 24 0.321 -3.191 1.197 1.00 21.41 H new ATOM 0 HE2 PHE A 24 3.696 -1.996 -1.195 1.00 0.44 H new ATOM 0 HZ PHE A 24 2.646 -2.317 1.037 1.00 24.42 H new ATOM 385 N LYS A 25 -0.807 -6.228 -5.834 1.00 22.13 N ATOM 386 CA LYS A 25 -1.707 -6.703 -6.881 1.00 12.01 C ATOM 387 C LYS A 25 -2.909 -7.488 -6.360 1.00 61.52 C ATOM 388 O LYS A 25 -3.927 -7.534 -7.050 1.00 65.24 O ATOM 389 CB LYS A 25 -0.925 -7.537 -7.894 1.00 63.30 C ATOM 390 CG LYS A 25 -1.211 -7.083 -9.320 1.00 11.54 C ATOM 391 CD LYS A 25 -0.743 -8.136 -10.328 1.00 31.34 C ATOM 392 CE LYS A 25 -0.946 -7.603 -11.746 1.00 12.44 C ATOM 393 NZ LYS A 25 -0.749 -8.648 -12.771 1.00 0.35 N ATOM 0 H LYS A 25 0.138 -6.605 -5.911 1.00 22.13 H new ATOM 0 HA LYS A 25 -2.120 -5.814 -7.359 1.00 12.01 H new ATOM 0 HB2 LYS A 25 0.143 -7.454 -7.690 1.00 63.30 H new ATOM 0 HB3 LYS A 25 -1.190 -8.589 -7.785 1.00 63.30 H new ATOM 0 HG2 LYS A 25 -2.279 -6.905 -9.443 1.00 11.54 H new ATOM 0 HG3 LYS A 25 -0.706 -6.137 -9.514 1.00 11.54 H new ATOM 0 HD2 LYS A 25 0.308 -8.372 -10.163 1.00 31.34 H new ATOM 0 HD3 LYS A 25 -1.303 -9.061 -10.191 1.00 31.34 H new ATOM 0 HE2 LYS A 25 -1.952 -7.193 -11.837 1.00 12.44 H new ATOM 0 HE3 LYS A 25 -0.250 -6.784 -11.927 1.00 12.44 H new ATOM 0 HZ1 LYS A 25 -0.897 -8.240 -13.716 1.00 0.35 H new ATOM 0 HZ2 LYS A 25 0.219 -9.023 -12.703 1.00 0.35 H new ATOM 0 HZ3 LYS A 25 -1.430 -9.419 -12.616 1.00 0.35 H new ATOM 407 N ASN A 26 -2.819 -8.140 -5.195 1.00 65.53 N ATOM 408 CA ASN A 26 -3.945 -8.892 -4.638 1.00 62.23 C ATOM 409 C ASN A 26 -4.833 -7.930 -3.836 1.00 22.21 C ATOM 410 O ASN A 26 -6.037 -8.165 -3.701 1.00 62.22 O ATOM 411 CB ASN A 26 -3.455 -10.083 -3.791 1.00 3.31 C ATOM 412 CG ASN A 26 -4.490 -11.198 -3.631 1.00 53.50 C ATOM 413 OD1 ASN A 26 -4.191 -12.367 -3.846 1.00 54.34 O ATOM 414 ND2 ASN A 26 -5.731 -10.901 -3.288 1.00 14.24 N ATOM 0 H ASN A 26 -1.976 -8.161 -4.621 1.00 65.53 H new ATOM 0 HA ASN A 26 -4.539 -9.321 -5.445 1.00 62.23 H new ATOM 0 HB2 ASN A 26 -2.557 -10.497 -4.250 1.00 3.31 H new ATOM 0 HB3 ASN A 26 -3.170 -9.721 -2.803 1.00 3.31 H new ATOM 0 HD21 ASN A 26 -6.428 -11.641 -3.205 1.00 14.24 H new ATOM 0 HD22 ASN A 26 -5.992 -9.932 -3.107 1.00 14.24 H new ATOM 421 N SER A 27 -4.255 -6.877 -3.248 1.00 52.01 N ATOM 422 CA SER A 27 -4.996 -5.867 -2.485 1.00 32.42 C ATOM 423 C SER A 27 -5.721 -4.948 -3.475 1.00 25.24 C ATOM 424 O SER A 27 -6.834 -4.529 -3.189 1.00 31.44 O ATOM 425 CB SER A 27 -4.077 -5.108 -1.511 1.00 63.51 C ATOM 426 OG SER A 27 -2.724 -5.126 -1.919 1.00 20.43 O ATOM 0 H SER A 27 -3.251 -6.700 -3.289 1.00 52.01 H new ATOM 0 HA SER A 27 -5.743 -6.346 -1.852 1.00 32.42 H new ATOM 0 HB2 SER A 27 -4.415 -4.075 -1.428 1.00 63.51 H new ATOM 0 HB3 SER A 27 -4.160 -5.551 -0.518 1.00 63.51 H new ATOM 0 HG SER A 27 -2.669 -4.928 -2.877 1.00 20.43 H new ATOM 432 N SER A 28 -5.160 -4.729 -4.666 1.00 1.12 N ATOM 433 CA SER A 28 -5.697 -3.908 -5.743 1.00 22.45 C ATOM 434 C SER A 28 -5.886 -2.434 -5.343 1.00 40.22 C ATOM 435 O SER A 28 -7.021 -1.966 -5.188 1.00 43.13 O ATOM 436 CB SER A 28 -6.940 -4.591 -6.337 1.00 10.04 C ATOM 437 OG SER A 28 -6.537 -5.838 -6.880 1.00 73.53 O ATOM 0 H SER A 28 -4.264 -5.148 -4.915 1.00 1.12 H new ATOM 0 HA SER A 28 -4.961 -3.843 -6.545 1.00 22.45 H new ATOM 0 HB2 SER A 28 -7.699 -4.737 -5.568 1.00 10.04 H new ATOM 0 HB3 SER A 28 -7.386 -3.965 -7.110 1.00 10.04 H new ATOM 0 HG SER A 28 -7.315 -6.294 -7.264 1.00 73.53 H new ATOM 443 N PRO A 29 -4.789 -1.667 -5.197 1.00 51.20 N ATOM 444 CA PRO A 29 -4.831 -0.247 -4.849 1.00 60.20 C ATOM 445 C PRO A 29 -5.450 0.564 -5.987 1.00 10.24 C ATOM 446 O PRO A 29 -5.547 0.108 -7.126 1.00 53.11 O ATOM 447 CB PRO A 29 -3.374 0.154 -4.606 1.00 65.31 C ATOM 448 CG PRO A 29 -2.608 -0.812 -5.506 1.00 65.44 C ATOM 449 CD PRO A 29 -3.408 -2.097 -5.359 1.00 64.03 C ATOM 0 HA PRO A 29 -5.446 -0.057 -3.969 1.00 60.20 H new ATOM 0 HB2 PRO A 29 -3.189 1.193 -4.877 1.00 65.31 H new ATOM 0 HB3 PRO A 29 -3.092 0.043 -3.559 1.00 65.31 H new ATOM 0 HG2 PRO A 29 -2.578 -0.468 -6.540 1.00 65.44 H new ATOM 0 HG3 PRO A 29 -1.575 -0.937 -5.182 1.00 65.44 H new ATOM 0 HD2 PRO A 29 -3.294 -2.735 -6.235 1.00 64.03 H new ATOM 0 HD3 PRO A 29 -3.071 -2.675 -4.498 1.00 64.03 H new ATOM 457 N ASP A 30 -5.959 1.748 -5.661 1.00 44.32 N ATOM 458 CA ASP A 30 -6.562 2.650 -6.636 1.00 32.11 C ATOM 459 C ASP A 30 -5.415 3.350 -7.360 1.00 21.15 C ATOM 460 O ASP A 30 -5.385 3.424 -8.588 1.00 21.51 O ATOM 461 CB ASP A 30 -7.498 3.659 -5.962 1.00 30.04 C ATOM 462 CG ASP A 30 -8.243 4.450 -7.031 1.00 55.31 C ATOM 463 OD1 ASP A 30 -8.906 3.804 -7.874 1.00 73.15 O ATOM 464 OD2 ASP A 30 -8.149 5.700 -7.037 1.00 62.31 O ATOM 0 H ASP A 30 -5.965 2.111 -4.708 1.00 44.32 H new ATOM 0 HA ASP A 30 -7.179 2.095 -7.342 1.00 32.11 H new ATOM 0 HB2 ASP A 30 -8.207 3.140 -5.318 1.00 30.04 H new ATOM 0 HB3 ASP A 30 -6.926 4.335 -5.327 1.00 30.04 H new ATOM 469 N GLN A 31 -4.431 3.823 -6.588 1.00 14.41 N ATOM 470 CA GLN A 31 -3.234 4.489 -7.064 1.00 43.41 C ATOM 471 C GLN A 31 -2.147 4.350 -6.000 1.00 23.11 C ATOM 472 O GLN A 31 -2.440 4.455 -4.805 1.00 12.33 O ATOM 473 CB GLN A 31 -3.531 5.965 -7.371 1.00 25.34 C ATOM 474 CG GLN A 31 -2.328 6.642 -8.049 1.00 62.21 C ATOM 475 CD GLN A 31 -2.727 7.866 -8.868 1.00 32.32 C ATOM 476 OE1 GLN A 31 -2.899 8.961 -8.341 1.00 63.41 O ATOM 477 NE2 GLN A 31 -2.882 7.716 -10.171 1.00 63.13 N ATOM 0 H GLN A 31 -4.457 3.744 -5.571 1.00 14.41 H new ATOM 0 HA GLN A 31 -2.889 4.029 -7.990 1.00 43.41 H new ATOM 0 HB2 GLN A 31 -4.405 6.036 -8.018 1.00 25.34 H new ATOM 0 HB3 GLN A 31 -3.775 6.490 -6.447 1.00 25.34 H new ATOM 0 HG2 GLN A 31 -1.606 6.938 -7.288 1.00 62.21 H new ATOM 0 HG3 GLN A 31 -1.829 5.922 -8.698 1.00 62.21 H new ATOM 0 HE21 GLN A 31 -2.737 6.802 -10.600 1.00 63.13 H new ATOM 0 HE22 GLN A 31 -3.147 8.514 -10.748 1.00 63.13 H new ATOM 486 N ILE A 32 -0.909 4.106 -6.436 1.00 33.12 N ATOM 487 CA ILE A 32 0.279 3.953 -5.602 1.00 42.44 C ATOM 488 C ILE A 32 1.133 5.196 -5.837 1.00 12.24 C ATOM 489 O ILE A 32 1.263 5.637 -6.982 1.00 50.05 O ATOM 490 CB ILE A 32 1.089 2.696 -6.012 1.00 20.13 C ATOM 491 CG1 ILE A 32 0.256 1.394 -6.021 1.00 24.24 C ATOM 492 CG2 ILE A 32 2.327 2.493 -5.115 1.00 74.54 C ATOM 493 CD1 ILE A 32 -0.290 1.061 -7.414 1.00 12.40 C ATOM 0 H ILE A 32 -0.701 4.005 -7.429 1.00 33.12 H new ATOM 0 HA ILE A 32 -0.004 3.838 -4.556 1.00 42.44 H new ATOM 0 HB ILE A 32 1.404 2.895 -7.036 1.00 20.13 H new ATOM 0 HG12 ILE A 32 0.874 0.568 -5.669 1.00 24.24 H new ATOM 0 HG13 ILE A 32 -0.574 1.492 -5.322 1.00 24.24 H new ATOM 0 HG21 ILE A 32 2.867 1.602 -5.436 1.00 74.54 H new ATOM 0 HG22 ILE A 32 2.981 3.362 -5.195 1.00 74.54 H new ATOM 0 HG23 ILE A 32 2.010 2.372 -4.079 1.00 74.54 H new ATOM 0 HD11 ILE A 32 -0.868 0.138 -7.367 1.00 12.40 H new ATOM 0 HD12 ILE A 32 -0.931 1.873 -7.757 1.00 12.40 H new ATOM 0 HD13 ILE A 32 0.540 0.935 -8.109 1.00 12.40 H new ATOM 505 N ARG A 33 1.780 5.714 -4.794 1.00 12.21 N ATOM 506 CA ARG A 33 2.637 6.876 -4.864 1.00 60.12 C ATOM 507 C ARG A 33 3.890 6.539 -4.073 1.00 42.33 C ATOM 508 O ARG A 33 3.848 6.502 -2.845 1.00 1.25 O ATOM 509 CB ARG A 33 1.848 8.060 -4.284 1.00 53.31 C ATOM 510 CG ARG A 33 2.254 9.376 -4.931 1.00 1.42 C ATOM 511 CD ARG A 33 1.868 9.483 -6.410 1.00 33.55 C ATOM 512 NE ARG A 33 1.981 10.869 -6.889 1.00 51.03 N ATOM 513 CZ ARG A 33 0.972 11.710 -7.146 1.00 53.12 C ATOM 514 NH1 ARG A 33 -0.291 11.395 -6.895 1.00 73.33 N ATOM 515 NH2 ARG A 33 1.237 12.893 -7.677 1.00 33.22 N ATOM 0 H ARG A 33 1.715 5.320 -3.856 1.00 12.21 H new ATOM 0 HA ARG A 33 2.938 7.149 -5.875 1.00 60.12 H new ATOM 0 HB2 ARG A 33 0.781 7.895 -4.433 1.00 53.31 H new ATOM 0 HB3 ARG A 33 2.014 8.116 -3.208 1.00 53.31 H new ATOM 0 HG2 ARG A 33 1.791 10.197 -4.384 1.00 1.42 H new ATOM 0 HG3 ARG A 33 3.333 9.499 -4.837 1.00 1.42 H new ATOM 0 HD2 ARG A 33 2.513 8.836 -7.005 1.00 33.55 H new ATOM 0 HD3 ARG A 33 0.846 9.129 -6.549 1.00 33.55 H new ATOM 0 HE ARG A 33 2.924 11.226 -7.041 1.00 51.03 H new ATOM 0 HH11 ARG A 33 -0.520 10.486 -6.493 1.00 73.33 H new ATOM 0 HH12 ARG A 33 -1.034 12.062 -7.104 1.00 73.33 H new ATOM 0 HH21 ARG A 33 2.201 13.154 -7.885 1.00 33.22 H new ATOM 0 HH22 ARG A 33 0.477 13.544 -7.878 1.00 33.22 H new ATOM 529 N LEU A 34 4.988 6.241 -4.763 1.00 3.54 N ATOM 530 CA LEU A 34 6.267 5.889 -4.153 1.00 41.51 C ATOM 531 C LEU A 34 7.017 7.188 -3.881 1.00 51.54 C ATOM 532 O LEU A 34 7.223 7.979 -4.799 1.00 61.14 O ATOM 533 CB LEU A 34 7.020 4.909 -5.084 1.00 61.24 C ATOM 534 CG LEU A 34 8.397 4.362 -4.619 1.00 55.22 C ATOM 535 CD1 LEU A 34 9.527 5.283 -5.080 1.00 53.14 C ATOM 536 CD2 LEU A 34 8.504 4.172 -3.107 1.00 24.43 C ATOM 0 H LEU A 34 5.014 6.237 -5.783 1.00 3.54 H new ATOM 0 HA LEU A 34 6.151 5.369 -3.202 1.00 41.51 H new ATOM 0 HB2 LEU A 34 6.367 4.055 -5.265 1.00 61.24 H new ATOM 0 HB3 LEU A 34 7.167 5.407 -6.042 1.00 61.24 H new ATOM 0 HG LEU A 34 8.489 3.378 -5.080 1.00 55.22 H new ATOM 0 HD11 LEU A 34 10.483 4.882 -4.744 1.00 53.14 H new ATOM 0 HD12 LEU A 34 9.523 5.348 -6.168 1.00 53.14 H new ATOM 0 HD13 LEU A 34 9.382 6.277 -4.657 1.00 53.14 H new ATOM 0 HD21 LEU A 34 9.493 3.788 -2.858 1.00 24.43 H new ATOM 0 HD22 LEU A 34 8.350 5.129 -2.608 1.00 24.43 H new ATOM 0 HD23 LEU A 34 7.745 3.464 -2.775 1.00 24.43 H new ATOM 548 N ARG A 35 7.376 7.458 -2.625 1.00 51.54 N ATOM 549 CA ARG A 35 8.109 8.646 -2.206 1.00 73.32 C ATOM 550 C ARG A 35 9.512 8.181 -1.832 1.00 64.32 C ATOM 551 O ARG A 35 9.814 7.942 -0.658 1.00 4.24 O ATOM 552 CB ARG A 35 7.378 9.377 -1.057 1.00 43.23 C ATOM 553 CG ARG A 35 6.376 10.444 -1.520 1.00 72.41 C ATOM 554 CD ARG A 35 5.183 9.875 -2.295 1.00 45.32 C ATOM 555 NE ARG A 35 4.347 10.938 -2.865 1.00 60.25 N ATOM 556 CZ ARG A 35 3.299 11.561 -2.322 1.00 70.40 C ATOM 557 NH1 ARG A 35 2.916 11.316 -1.070 1.00 11.02 N ATOM 558 NH2 ARG A 35 2.631 12.425 -3.073 1.00 24.42 N ATOM 0 H ARG A 35 7.156 6.834 -1.849 1.00 51.54 H new ATOM 0 HA ARG A 35 8.172 9.384 -3.006 1.00 73.32 H new ATOM 0 HB2 ARG A 35 6.851 8.640 -0.451 1.00 43.23 H new ATOM 0 HB3 ARG A 35 8.120 9.848 -0.412 1.00 43.23 H new ATOM 0 HG2 ARG A 35 6.007 10.985 -0.649 1.00 72.41 H new ATOM 0 HG3 ARG A 35 6.894 11.168 -2.149 1.00 72.41 H new ATOM 0 HD2 ARG A 35 5.544 9.228 -3.095 1.00 45.32 H new ATOM 0 HD3 ARG A 35 4.580 9.255 -1.631 1.00 45.32 H new ATOM 0 HE ARG A 35 4.602 11.242 -3.805 1.00 60.25 H new ATOM 0 HH11 ARG A 35 3.427 10.639 -0.503 1.00 11.02 H new ATOM 0 HH12 ARG A 35 2.112 11.805 -0.678 1.00 11.02 H new ATOM 0 HH21 ARG A 35 2.923 12.597 -4.035 1.00 24.42 H new ATOM 0 HH22 ARG A 35 1.825 12.918 -2.689 1.00 24.42 H new ATOM 572 N ALA A 36 10.382 8.022 -2.837 1.00 14.02 N ATOM 573 CA ALA A 36 11.764 7.585 -2.639 1.00 11.13 C ATOM 574 C ALA A 36 12.530 8.552 -1.730 1.00 61.51 C ATOM 575 O ALA A 36 13.497 8.154 -1.077 1.00 62.44 O ATOM 576 CB ALA A 36 12.483 7.482 -3.988 1.00 21.11 C ATOM 0 H ALA A 36 10.143 8.194 -3.814 1.00 14.02 H new ATOM 0 HA ALA A 36 11.736 6.606 -2.160 1.00 11.13 H new ATOM 0 HB1 ALA A 36 13.511 7.156 -3.829 1.00 21.11 H new ATOM 0 HB2 ALA A 36 11.967 6.760 -4.621 1.00 21.11 H new ATOM 0 HB3 ALA A 36 12.483 8.457 -4.476 1.00 21.11 H new ATOM 582 N ASP A 37 12.079 9.804 -1.644 1.00 3.22 N ATOM 583 CA ASP A 37 12.675 10.868 -0.841 1.00 61.41 C ATOM 584 C ASP A 37 12.703 10.515 0.647 1.00 4.21 C ATOM 585 O ASP A 37 13.575 11.006 1.363 1.00 24.21 O ATOM 586 CB ASP A 37 11.930 12.199 -1.042 1.00 74.12 C ATOM 587 CG ASP A 37 12.001 12.830 -2.436 1.00 73.33 C ATOM 588 OD1 ASP A 37 11.949 12.089 -3.448 1.00 15.31 O ATOM 589 OD2 ASP A 37 11.917 14.073 -2.548 1.00 53.33 O ATOM 0 H ASP A 37 11.253 10.116 -2.155 1.00 3.22 H new ATOM 0 HA ASP A 37 13.703 10.979 -1.185 1.00 61.41 H new ATOM 0 HB2 ASP A 37 10.880 12.041 -0.794 1.00 74.12 H new ATOM 0 HB3 ASP A 37 12.322 12.919 -0.324 1.00 74.12 H new ATOM 594 N LYS A 38 11.786 9.669 1.133 1.00 53.23 N ATOM 595 CA LYS A 38 11.708 9.235 2.535 1.00 44.45 C ATOM 596 C LYS A 38 11.528 7.719 2.673 1.00 4.14 C ATOM 597 O LYS A 38 11.323 7.237 3.786 1.00 54.00 O ATOM 598 CB LYS A 38 10.621 10.045 3.265 1.00 2.33 C ATOM 599 CG LYS A 38 11.186 11.324 3.910 1.00 43.24 C ATOM 600 CD LYS A 38 11.733 11.150 5.334 1.00 15.23 C ATOM 601 CE LYS A 38 10.640 10.668 6.299 1.00 70.03 C ATOM 602 NZ LYS A 38 10.957 10.973 7.706 1.00 31.24 N ATOM 0 H LYS A 38 11.059 9.257 0.548 1.00 53.23 H new ATOM 0 HA LYS A 38 12.663 9.443 3.018 1.00 44.45 H new ATOM 0 HB2 LYS A 38 9.834 10.312 2.560 1.00 2.33 H new ATOM 0 HB3 LYS A 38 10.162 9.424 4.034 1.00 2.33 H new ATOM 0 HG2 LYS A 38 11.984 11.710 3.276 1.00 43.24 H new ATOM 0 HG3 LYS A 38 10.401 12.080 3.929 1.00 43.24 H new ATOM 0 HD2 LYS A 38 12.554 10.433 5.325 1.00 15.23 H new ATOM 0 HD3 LYS A 38 12.140 12.097 5.687 1.00 15.23 H new ATOM 0 HE2 LYS A 38 9.692 11.137 6.033 1.00 70.03 H new ATOM 0 HE3 LYS A 38 10.507 9.592 6.185 1.00 70.03 H new ATOM 0 HZ1 LYS A 38 10.190 10.628 8.317 1.00 31.24 H new ATOM 0 HZ2 LYS A 38 11.847 10.505 7.971 1.00 31.24 H new ATOM 0 HZ3 LYS A 38 11.058 12.001 7.824 1.00 31.24 H new ATOM 616 N GLY A 39 11.595 6.956 1.580 1.00 0.32 N ATOM 617 CA GLY A 39 11.433 5.508 1.615 1.00 62.03 C ATOM 618 C GLY A 39 10.055 5.118 2.135 1.00 52.41 C ATOM 619 O GLY A 39 9.927 4.254 3.004 1.00 40.23 O ATOM 0 H GLY A 39 11.764 7.329 0.646 1.00 0.32 H new ATOM 0 HA2 GLY A 39 11.576 5.100 0.615 1.00 62.03 H new ATOM 0 HA3 GLY A 39 12.202 5.069 2.251 1.00 62.03 H new ATOM 623 N ILE A 40 9.012 5.756 1.610 1.00 21.35 N ATOM 624 CA ILE A 40 7.619 5.533 1.977 1.00 73.25 C ATOM 625 C ILE A 40 6.786 5.443 0.704 1.00 43.14 C ATOM 626 O ILE A 40 7.229 5.882 -0.358 1.00 61.21 O ATOM 627 CB ILE A 40 7.110 6.646 2.934 1.00 63.51 C ATOM 628 CG1 ILE A 40 7.727 8.012 2.612 1.00 63.10 C ATOM 629 CG2 ILE A 40 7.396 6.308 4.408 1.00 23.12 C ATOM 630 CD1 ILE A 40 7.020 9.201 3.269 1.00 10.41 C ATOM 0 H ILE A 40 9.120 6.470 0.889 1.00 21.35 H new ATOM 0 HA ILE A 40 7.525 4.594 2.523 1.00 73.25 H new ATOM 0 HB ILE A 40 6.032 6.699 2.779 1.00 63.51 H new ATOM 0 HG12 ILE A 40 8.771 8.008 2.926 1.00 63.10 H new ATOM 0 HG13 ILE A 40 7.720 8.154 1.531 1.00 63.10 H new ATOM 0 HG21 ILE A 40 7.025 7.111 5.044 1.00 23.12 H new ATOM 0 HG22 ILE A 40 6.896 5.376 4.671 1.00 23.12 H new ATOM 0 HG23 ILE A 40 8.470 6.197 4.554 1.00 23.12 H new ATOM 0 HD11 ILE A 40 7.524 10.125 2.986 1.00 10.41 H new ATOM 0 HD12 ILE A 40 5.983 9.237 2.936 1.00 10.41 H new ATOM 0 HD13 ILE A 40 7.050 9.088 4.353 1.00 10.41 H new ATOM 642 N ALA A 41 5.602 4.847 0.792 1.00 23.44 N ATOM 643 CA ALA A 41 4.678 4.691 -0.309 1.00 43.40 C ATOM 644 C ALA A 41 3.265 4.766 0.239 1.00 33.21 C ATOM 645 O ALA A 41 2.958 4.155 1.265 1.00 32.21 O ATOM 646 CB ALA A 41 4.880 3.363 -1.036 1.00 54.12 C ATOM 0 H ALA A 41 5.254 4.448 1.664 1.00 23.44 H new ATOM 0 HA ALA A 41 4.857 5.487 -1.032 1.00 43.40 H new ATOM 0 HB1 ALA A 41 4.166 3.285 -1.856 1.00 54.12 H new ATOM 0 HB2 ALA A 41 5.894 3.316 -1.432 1.00 54.12 H new ATOM 0 HB3 ALA A 41 4.724 2.539 -0.339 1.00 54.12 H new ATOM 652 N PHE A 42 2.426 5.524 -0.459 1.00 22.13 N ATOM 653 CA PHE A 42 1.031 5.720 -0.117 1.00 74.13 C ATOM 654 C PHE A 42 0.244 4.950 -1.160 1.00 60.21 C ATOM 655 O PHE A 42 0.609 4.955 -2.339 1.00 70.45 O ATOM 656 CB PHE A 42 0.679 7.215 -0.134 1.00 54.11 C ATOM 657 CG PHE A 42 1.466 8.048 0.863 1.00 33.41 C ATOM 658 CD1 PHE A 42 2.786 8.441 0.566 1.00 32.21 C ATOM 659 CD2 PHE A 42 0.894 8.405 2.099 1.00 72.10 C ATOM 660 CE1 PHE A 42 3.536 9.175 1.501 1.00 64.22 C ATOM 661 CE2 PHE A 42 1.642 9.141 3.034 1.00 42.05 C ATOM 662 CZ PHE A 42 2.965 9.515 2.739 1.00 30.33 C ATOM 0 H PHE A 42 2.709 6.030 -1.298 1.00 22.13 H new ATOM 0 HA PHE A 42 0.801 5.365 0.887 1.00 74.13 H new ATOM 0 HB2 PHE A 42 0.853 7.607 -1.136 1.00 54.11 H new ATOM 0 HB3 PHE A 42 -0.385 7.329 0.073 1.00 54.11 H new ATOM 0 HD1 PHE A 42 3.224 8.177 -0.385 1.00 32.21 H new ATOM 0 HD2 PHE A 42 -0.120 8.113 2.329 1.00 72.10 H new ATOM 0 HE1 PHE A 42 4.547 9.476 1.269 1.00 64.22 H new ATOM 0 HE2 PHE A 42 1.200 9.419 3.979 1.00 42.05 H new ATOM 0 HZ PHE A 42 3.544 10.065 3.466 1.00 30.33 H new ATOM 672 N LEU A 43 -0.814 4.269 -0.736 1.00 50.24 N ATOM 673 CA LEU A 43 -1.672 3.486 -1.608 1.00 44.34 C ATOM 674 C LEU A 43 -3.087 3.864 -1.225 1.00 42.44 C ATOM 675 O LEU A 43 -3.458 3.710 -0.066 1.00 11.01 O ATOM 676 CB LEU A 43 -1.419 1.979 -1.473 1.00 64.45 C ATOM 677 CG LEU A 43 -0.013 1.534 -1.922 1.00 14.03 C ATOM 678 CD1 LEU A 43 0.993 1.480 -0.765 1.00 21.10 C ATOM 679 CD2 LEU A 43 -0.072 0.145 -2.556 1.00 31.24 C ATOM 0 H LEU A 43 -1.102 4.247 0.242 1.00 50.24 H new ATOM 0 HA LEU A 43 -1.472 3.702 -2.658 1.00 44.34 H new ATOM 0 HB2 LEU A 43 -1.565 1.689 -0.433 1.00 64.45 H new ATOM 0 HB3 LEU A 43 -2.163 1.442 -2.061 1.00 64.45 H new ATOM 0 HG LEU A 43 0.323 2.281 -2.641 1.00 14.03 H new ATOM 0 HD11 LEU A 43 1.964 1.161 -1.142 1.00 21.10 H new ATOM 0 HD12 LEU A 43 1.085 2.469 -0.317 1.00 21.10 H new ATOM 0 HD13 LEU A 43 0.645 0.772 -0.013 1.00 21.10 H new ATOM 0 HD21 LEU A 43 0.928 -0.155 -2.868 1.00 31.24 H new ATOM 0 HD22 LEU A 43 -0.456 -0.571 -1.829 1.00 31.24 H new ATOM 0 HD23 LEU A 43 -0.731 0.169 -3.424 1.00 31.24 H new ATOM 691 N GLU A 44 -3.815 4.472 -2.155 1.00 24.24 N ATOM 692 CA GLU A 44 -5.190 4.909 -1.954 1.00 53.32 C ATOM 693 C GLU A 44 -6.149 3.770 -2.301 1.00 24.41 C ATOM 694 O GLU A 44 -5.858 2.992 -3.211 1.00 43.13 O ATOM 695 CB GLU A 44 -5.460 6.096 -2.890 1.00 2.40 C ATOM 696 CG GLU A 44 -4.941 7.428 -2.329 1.00 23.22 C ATOM 697 CD GLU A 44 -4.966 8.574 -3.341 1.00 31.10 C ATOM 698 OE1 GLU A 44 -5.928 8.667 -4.126 1.00 4.50 O ATOM 699 OE2 GLU A 44 -4.013 9.387 -3.350 1.00 14.42 O ATOM 0 H GLU A 44 -3.458 4.679 -3.088 1.00 24.24 H new ATOM 0 HA GLU A 44 -5.340 5.199 -0.914 1.00 53.32 H new ATOM 0 HB2 GLU A 44 -4.990 5.906 -3.855 1.00 2.40 H new ATOM 0 HB3 GLU A 44 -6.532 6.175 -3.068 1.00 2.40 H new ATOM 0 HG2 GLU A 44 -5.542 7.706 -1.464 1.00 23.22 H new ATOM 0 HG3 GLU A 44 -3.919 7.290 -1.976 1.00 23.22 H new ATOM 706 N PHE A 45 -7.311 3.720 -1.648 1.00 14.35 N ATOM 707 CA PHE A 45 -8.364 2.728 -1.838 1.00 5.31 C ATOM 708 C PHE A 45 -9.711 3.456 -1.746 1.00 24.31 C ATOM 709 O PHE A 45 -9.977 4.159 -0.768 1.00 60.11 O ATOM 710 CB PHE A 45 -8.238 1.610 -0.794 1.00 35.33 C ATOM 711 CG PHE A 45 -7.036 0.700 -0.984 1.00 40.11 C ATOM 712 CD1 PHE A 45 -5.763 1.083 -0.524 1.00 22.41 C ATOM 713 CD2 PHE A 45 -7.186 -0.534 -1.642 1.00 24.31 C ATOM 714 CE1 PHE A 45 -4.651 0.252 -0.752 1.00 2.45 C ATOM 715 CE2 PHE A 45 -6.078 -1.380 -1.830 1.00 32.24 C ATOM 716 CZ PHE A 45 -4.806 -0.989 -1.386 1.00 50.25 C ATOM 0 H PHE A 45 -7.553 4.408 -0.935 1.00 14.35 H new ATOM 0 HA PHE A 45 -8.281 2.250 -2.814 1.00 5.31 H new ATOM 0 HB2 PHE A 45 -8.183 2.061 0.197 1.00 35.33 H new ATOM 0 HB3 PHE A 45 -9.144 1.004 -0.819 1.00 35.33 H new ATOM 0 HD1 PHE A 45 -5.639 2.016 0.005 1.00 22.41 H new ATOM 0 HD2 PHE A 45 -8.158 -0.834 -2.005 1.00 24.31 H new ATOM 0 HE1 PHE A 45 -3.669 0.573 -0.436 1.00 2.45 H new ATOM 0 HE2 PHE A 45 -6.207 -2.335 -2.318 1.00 32.24 H new ATOM 0 HZ PHE A 45 -3.955 -1.637 -1.531 1.00 50.25 H new ATOM 726 N ASP A 46 -10.539 3.348 -2.788 1.00 31.23 N ATOM 727 CA ASP A 46 -11.851 3.999 -2.867 1.00 72.21 C ATOM 728 C ASP A 46 -12.949 3.084 -2.314 1.00 30.42 C ATOM 729 O ASP A 46 -13.220 2.007 -2.858 1.00 22.41 O ATOM 730 CB ASP A 46 -12.172 4.393 -4.316 1.00 0.13 C ATOM 731 CG ASP A 46 -13.230 5.502 -4.373 1.00 12.42 C ATOM 732 OD1 ASP A 46 -14.201 5.439 -3.591 1.00 61.01 O ATOM 733 OD2 ASP A 46 -13.047 6.448 -5.182 1.00 24.11 O ATOM 0 H ASP A 46 -10.313 2.796 -3.616 1.00 31.23 H new ATOM 0 HA ASP A 46 -11.815 4.902 -2.258 1.00 72.21 H new ATOM 0 HB2 ASP A 46 -11.262 4.730 -4.813 1.00 0.13 H new ATOM 0 HB3 ASP A 46 -12.529 3.519 -4.862 1.00 0.13 H new ATOM 738 N ALA A 47 -13.538 3.468 -1.185 1.00 45.25 N ATOM 739 CA ALA A 47 -14.606 2.748 -0.513 1.00 3.32 C ATOM 740 C ALA A 47 -15.915 2.819 -1.295 1.00 35.30 C ATOM 741 O ALA A 47 -16.803 1.992 -1.060 1.00 34.05 O ATOM 742 CB ALA A 47 -14.816 3.317 0.891 1.00 42.33 C ATOM 0 H ALA A 47 -13.271 4.323 -0.697 1.00 45.25 H new ATOM 0 HA ALA A 47 -14.309 1.701 -0.448 1.00 3.32 H new ATOM 0 HB1 ALA A 47 -15.618 2.772 1.388 1.00 42.33 H new ATOM 0 HB2 ALA A 47 -13.896 3.214 1.467 1.00 42.33 H new ATOM 0 HB3 ALA A 47 -15.083 4.371 0.820 1.00 42.33 H new ATOM 748 N ASP A 48 -16.094 3.820 -2.162 1.00 51.32 N ATOM 749 CA ASP A 48 -17.310 3.925 -2.961 1.00 23.04 C ATOM 750 C ASP A 48 -17.249 2.861 -4.051 1.00 32.23 C ATOM 751 O ASP A 48 -18.275 2.251 -4.380 1.00 5.22 O ATOM 752 CB ASP A 48 -17.468 5.302 -3.614 1.00 12.12 C ATOM 753 CG ASP A 48 -18.716 5.319 -4.493 1.00 42.15 C ATOM 754 OD1 ASP A 48 -19.851 5.275 -3.962 1.00 0.52 O ATOM 755 OD2 ASP A 48 -18.595 5.362 -5.738 1.00 35.14 O ATOM 0 H ASP A 48 -15.415 4.563 -2.325 1.00 51.32 H new ATOM 0 HA ASP A 48 -18.166 3.782 -2.302 1.00 23.04 H new ATOM 0 HB2 ASP A 48 -17.543 6.072 -2.846 1.00 12.12 H new ATOM 0 HB3 ASP A 48 -16.587 5.533 -4.213 1.00 12.12 H new ATOM 760 N LYS A 49 -16.056 2.605 -4.605 1.00 73.23 N ATOM 761 CA LYS A 49 -15.876 1.628 -5.644 1.00 32.23 C ATOM 762 C LYS A 49 -16.083 0.229 -5.074 1.00 32.53 C ATOM 763 O LYS A 49 -16.762 -0.575 -5.713 1.00 4.21 O ATOM 764 CB LYS A 49 -14.475 1.843 -6.238 1.00 12.40 C ATOM 765 CG LYS A 49 -14.110 0.769 -7.252 1.00 13.40 C ATOM 766 CD LYS A 49 -14.991 0.783 -8.511 1.00 25.12 C ATOM 767 CE LYS A 49 -14.749 -0.462 -9.371 1.00 2.43 C ATOM 768 NZ LYS A 49 -15.583 -0.468 -10.594 1.00 52.50 N ATOM 0 H LYS A 49 -15.196 3.081 -4.332 1.00 73.23 H new ATOM 0 HA LYS A 49 -16.609 1.738 -6.444 1.00 32.23 H new ATOM 0 HB2 LYS A 49 -14.431 2.822 -6.716 1.00 12.40 H new ATOM 0 HB3 LYS A 49 -13.738 1.847 -5.435 1.00 12.40 H new ATOM 0 HG2 LYS A 49 -13.069 0.899 -7.547 1.00 13.40 H new ATOM 0 HG3 LYS A 49 -14.187 -0.209 -6.776 1.00 13.40 H new ATOM 0 HD2 LYS A 49 -16.041 0.830 -8.223 1.00 25.12 H new ATOM 0 HD3 LYS A 49 -14.780 1.679 -9.096 1.00 25.12 H new ATOM 0 HE2 LYS A 49 -13.697 -0.509 -9.651 1.00 2.43 H new ATOM 0 HE3 LYS A 49 -14.963 -1.355 -8.783 1.00 2.43 H new ATOM 0 HZ1 LYS A 49 -15.386 -1.328 -11.144 1.00 52.50 H new ATOM 0 HZ2 LYS A 49 -16.588 -0.450 -10.329 1.00 52.50 H new ATOM 0 HZ3 LYS A 49 -15.361 0.370 -11.169 1.00 52.50 H new ATOM 782 N ASP A 50 -15.632 -0.039 -3.847 1.00 44.10 N ATOM 783 CA ASP A 50 -15.763 -1.354 -3.227 1.00 41.43 C ATOM 784 C ASP A 50 -16.483 -1.273 -1.896 1.00 52.14 C ATOM 785 O ASP A 50 -15.859 -1.435 -0.847 1.00 54.52 O ATOM 786 CB ASP A 50 -14.389 -2.012 -3.069 1.00 2.31 C ATOM 787 CG ASP A 50 -13.864 -2.521 -4.394 1.00 45.24 C ATOM 788 OD1 ASP A 50 -13.183 -1.724 -5.069 1.00 63.23 O ATOM 789 OD2 ASP A 50 -14.146 -3.700 -4.710 1.00 30.30 O ATOM 0 H ASP A 50 -15.166 0.651 -3.257 1.00 44.10 H new ATOM 0 HA ASP A 50 -16.369 -1.975 -3.886 1.00 41.43 H new ATOM 0 HB2 ASP A 50 -13.686 -1.293 -2.650 1.00 2.31 H new ATOM 0 HB3 ASP A 50 -14.459 -2.839 -2.362 1.00 2.31 H new ATOM 794 N ARG A 51 -17.813 -1.105 -1.910 1.00 4.03 N ATOM 795 CA ARG A 51 -18.572 -1.030 -0.658 1.00 54.43 C ATOM 796 C ARG A 51 -18.310 -2.233 0.241 1.00 22.31 C ATOM 797 O ARG A 51 -18.185 -2.053 1.452 1.00 62.23 O ATOM 798 CB ARG A 51 -20.088 -0.943 -0.888 1.00 13.24 C ATOM 799 CG ARG A 51 -20.587 0.327 -1.589 1.00 44.45 C ATOM 800 CD ARG A 51 -22.032 0.567 -1.126 1.00 44.03 C ATOM 801 NE ARG A 51 -22.721 1.675 -1.802 1.00 35.41 N ATOM 802 CZ ARG A 51 -22.496 2.985 -1.642 1.00 44.24 C ATOM 803 NH1 ARG A 51 -21.421 3.415 -0.983 1.00 74.44 N ATOM 804 NH2 ARG A 51 -23.339 3.871 -2.154 1.00 24.21 N ATOM 0 H ARG A 51 -18.375 -1.020 -2.757 1.00 4.03 H new ATOM 0 HA ARG A 51 -18.225 -0.116 -0.175 1.00 54.43 H new ATOM 0 HB2 ARG A 51 -20.397 -1.806 -1.478 1.00 13.24 H new ATOM 0 HB3 ARG A 51 -20.588 -1.022 0.077 1.00 13.24 H new ATOM 0 HG2 ARG A 51 -19.956 1.179 -1.336 1.00 44.45 H new ATOM 0 HG3 ARG A 51 -20.545 0.210 -2.672 1.00 44.45 H new ATOM 0 HD2 ARG A 51 -22.605 -0.347 -1.282 1.00 44.03 H new ATOM 0 HD3 ARG A 51 -22.027 0.761 -0.053 1.00 44.03 H new ATOM 0 HE ARG A 51 -23.451 1.418 -2.466 1.00 35.41 H new ATOM 0 HH11 ARG A 51 -20.759 2.744 -0.594 1.00 74.44 H new ATOM 0 HH12 ARG A 51 -21.260 4.416 -0.867 1.00 74.44 H new ATOM 0 HH21 ARG A 51 -24.160 3.555 -2.670 1.00 24.21 H new ATOM 0 HH22 ARG A 51 -23.167 4.869 -2.032 1.00 24.21 H new ATOM 818 N THR A 52 -18.205 -3.426 -0.343 1.00 34.04 N ATOM 819 CA THR A 52 -17.977 -4.679 0.360 1.00 75.23 C ATOM 820 C THR A 52 -16.543 -5.196 0.233 1.00 24.44 C ATOM 821 O THR A 52 -16.226 -6.224 0.829 1.00 21.41 O ATOM 822 CB THR A 52 -18.976 -5.713 -0.194 1.00 11.21 C ATOM 823 OG1 THR A 52 -18.983 -5.761 -1.614 1.00 41.24 O ATOM 824 CG2 THR A 52 -20.407 -5.348 0.197 1.00 35.42 C ATOM 0 H THR A 52 -18.279 -3.546 -1.353 1.00 34.04 H new ATOM 0 HA THR A 52 -18.129 -4.509 1.426 1.00 75.23 H new ATOM 0 HB THR A 52 -18.657 -6.668 0.224 1.00 11.21 H new ATOM 0 HG1 THR A 52 -19.630 -6.432 -1.915 1.00 41.24 H new ATOM 0 HG21 THR A 52 -21.095 -6.092 -0.205 1.00 35.42 H new ATOM 0 HG22 THR A 52 -20.493 -5.324 1.283 1.00 35.42 H new ATOM 0 HG23 THR A 52 -20.656 -4.367 -0.208 1.00 35.42 H new ATOM 832 N GLY A 53 -15.655 -4.515 -0.495 1.00 63.20 N ATOM 833 CA GLY A 53 -14.282 -4.973 -0.683 1.00 32.10 C ATOM 834 C GLY A 53 -13.220 -4.056 -0.105 1.00 52.54 C ATOM 835 O GLY A 53 -12.092 -4.503 0.035 1.00 34.52 O ATOM 0 H GLY A 53 -15.868 -3.636 -0.967 1.00 63.20 H new ATOM 0 HA2 GLY A 53 -14.177 -5.958 -0.229 1.00 32.10 H new ATOM 0 HA3 GLY A 53 -14.097 -5.093 -1.750 1.00 32.10 H new ATOM 839 N ILE A 54 -13.536 -2.815 0.266 1.00 62.23 N ATOM 840 CA ILE A 54 -12.576 -1.863 0.812 1.00 3.22 C ATOM 841 C ILE A 54 -11.775 -2.452 1.978 1.00 53.32 C ATOM 842 O ILE A 54 -10.548 -2.391 1.945 1.00 5.34 O ATOM 843 CB ILE A 54 -13.320 -0.550 1.153 1.00 13.42 C ATOM 844 CG1 ILE A 54 -12.413 0.522 1.786 1.00 3.33 C ATOM 845 CG2 ILE A 54 -14.553 -0.731 2.064 1.00 72.35 C ATOM 846 CD1 ILE A 54 -11.267 0.961 0.873 1.00 70.41 C ATOM 0 H ILE A 54 -14.482 -2.440 0.193 1.00 62.23 H new ATOM 0 HA ILE A 54 -11.817 -1.631 0.065 1.00 3.22 H new ATOM 0 HB ILE A 54 -13.660 -0.212 0.174 1.00 13.42 H new ATOM 0 HG12 ILE A 54 -13.016 1.392 2.044 1.00 3.33 H new ATOM 0 HG13 ILE A 54 -11.999 0.134 2.717 1.00 3.33 H new ATOM 0 HG21 ILE A 54 -15.013 0.239 2.251 1.00 72.35 H new ATOM 0 HG22 ILE A 54 -15.274 -1.386 1.575 1.00 72.35 H new ATOM 0 HG23 ILE A 54 -14.244 -1.175 3.010 1.00 72.35 H new ATOM 0 HD11 ILE A 54 -10.667 1.717 1.380 1.00 70.41 H new ATOM 0 HD12 ILE A 54 -10.641 0.101 0.635 1.00 70.41 H new ATOM 0 HD13 ILE A 54 -11.675 1.378 -0.048 1.00 70.41 H new ATOM 858 N GLN A 55 -12.441 -3.046 2.976 1.00 55.12 N ATOM 859 CA GLN A 55 -11.738 -3.633 4.110 1.00 43.11 C ATOM 860 C GLN A 55 -10.848 -4.755 3.593 1.00 34.13 C ATOM 861 O GLN A 55 -9.658 -4.737 3.855 1.00 3.03 O ATOM 862 CB GLN A 55 -12.693 -4.170 5.189 1.00 62.34 C ATOM 863 CG GLN A 55 -12.100 -4.230 6.607 1.00 25.13 C ATOM 864 CD GLN A 55 -10.676 -4.771 6.758 1.00 53.44 C ATOM 865 OE1 GLN A 55 -9.767 -4.051 7.165 1.00 2.02 O ATOM 866 NE2 GLN A 55 -10.439 -6.048 6.526 1.00 33.14 N ATOM 0 H GLN A 55 -13.457 -3.130 3.017 1.00 55.12 H new ATOM 0 HA GLN A 55 -11.145 -2.852 4.585 1.00 43.11 H new ATOM 0 HB2 GLN A 55 -13.584 -3.542 5.210 1.00 62.34 H new ATOM 0 HB3 GLN A 55 -13.015 -5.171 4.903 1.00 62.34 H new ATOM 0 HG2 GLN A 55 -12.123 -3.223 7.023 1.00 25.13 H new ATOM 0 HG3 GLN A 55 -12.759 -4.844 7.221 1.00 25.13 H new ATOM 0 HE21 GLN A 55 -11.188 -6.653 6.188 1.00 33.14 H new ATOM 0 HE22 GLN A 55 -9.507 -6.431 6.685 1.00 33.14 H new ATOM 875 N ARG A 56 -11.402 -5.713 2.841 1.00 73.13 N ATOM 876 CA ARG A 56 -10.645 -6.843 2.299 1.00 21.11 C ATOM 877 C ARG A 56 -9.386 -6.365 1.577 1.00 51.41 C ATOM 878 O ARG A 56 -8.301 -6.890 1.810 1.00 14.14 O ATOM 879 CB ARG A 56 -11.532 -7.674 1.359 1.00 3.43 C ATOM 880 CG ARG A 56 -12.582 -8.472 2.146 1.00 61.45 C ATOM 881 CD ARG A 56 -12.320 -9.973 2.047 1.00 24.41 C ATOM 882 NE ARG A 56 -12.835 -10.534 0.785 1.00 64.11 N ATOM 883 CZ ARG A 56 -12.347 -11.573 0.097 1.00 72.11 C ATOM 884 NH1 ARG A 56 -11.178 -12.124 0.410 1.00 21.03 N ATOM 885 NH2 ARG A 56 -13.041 -12.056 -0.929 1.00 22.11 N ATOM 0 H ARG A 56 -12.391 -5.725 2.592 1.00 73.13 H new ATOM 0 HA ARG A 56 -10.331 -7.475 3.129 1.00 21.11 H new ATOM 0 HB2 ARG A 56 -12.030 -7.015 0.648 1.00 3.43 H new ATOM 0 HB3 ARG A 56 -10.912 -8.357 0.779 1.00 3.43 H new ATOM 0 HG2 ARG A 56 -12.567 -8.165 3.192 1.00 61.45 H new ATOM 0 HG3 ARG A 56 -13.577 -8.247 1.762 1.00 61.45 H new ATOM 0 HD2 ARG A 56 -11.249 -10.161 2.118 1.00 24.41 H new ATOM 0 HD3 ARG A 56 -12.790 -10.481 2.889 1.00 24.41 H new ATOM 0 HE ARG A 56 -13.658 -10.078 0.391 1.00 64.11 H new ATOM 0 HH11 ARG A 56 -10.633 -11.755 1.189 1.00 21.03 H new ATOM 0 HH12 ARG A 56 -10.827 -12.915 -0.129 1.00 21.03 H new ATOM 0 HH21 ARG A 56 -13.934 -11.635 -1.184 1.00 22.11 H new ATOM 0 HH22 ARG A 56 -12.680 -12.848 -1.461 1.00 22.11 H new ATOM 899 N ARG A 57 -9.527 -5.374 0.696 1.00 55.03 N ATOM 900 CA ARG A 57 -8.437 -4.787 -0.066 1.00 43.03 C ATOM 901 C ARG A 57 -7.378 -4.268 0.911 1.00 44.03 C ATOM 902 O ARG A 57 -6.200 -4.591 0.744 1.00 32.34 O ATOM 903 CB ARG A 57 -8.990 -3.688 -0.991 1.00 31.43 C ATOM 904 CG ARG A 57 -9.809 -4.214 -2.187 1.00 40.12 C ATOM 905 CD ARG A 57 -10.390 -3.064 -3.025 1.00 4.33 C ATOM 906 NE ARG A 57 -10.668 -3.504 -4.406 1.00 24.24 N ATOM 907 CZ ARG A 57 -10.511 -2.805 -5.540 1.00 10.31 C ATOM 908 NH1 ARG A 57 -10.111 -1.542 -5.540 1.00 31.11 N ATOM 909 NH2 ARG A 57 -10.743 -3.369 -6.719 1.00 13.33 N ATOM 0 H ARG A 57 -10.431 -4.949 0.491 1.00 55.03 H new ATOM 0 HA ARG A 57 -7.960 -5.528 -0.707 1.00 43.03 H new ATOM 0 HB2 ARG A 57 -9.617 -3.018 -0.404 1.00 31.43 H new ATOM 0 HB3 ARG A 57 -8.157 -3.095 -1.369 1.00 31.43 H new ATOM 0 HG2 ARG A 57 -9.175 -4.839 -2.816 1.00 40.12 H new ATOM 0 HG3 ARG A 57 -10.620 -4.846 -1.824 1.00 40.12 H new ATOM 0 HD2 ARG A 57 -11.308 -2.701 -2.563 1.00 4.33 H new ATOM 0 HD3 ARG A 57 -9.689 -2.230 -3.040 1.00 4.33 H new ATOM 0 HE ARG A 57 -11.022 -4.455 -4.511 1.00 24.24 H new ATOM 0 HH11 ARG A 57 -9.911 -1.070 -4.658 1.00 31.11 H new ATOM 0 HH12 ARG A 57 -10.003 -1.041 -6.422 1.00 31.11 H new ATOM 0 HH21 ARG A 57 -11.044 -4.342 -6.768 1.00 13.33 H new ATOM 0 HH22 ARG A 57 -10.621 -2.829 -7.576 1.00 13.33 H new ATOM 923 N MET A 58 -7.783 -3.495 1.924 1.00 42.43 N ATOM 924 CA MET A 58 -6.878 -2.954 2.934 1.00 70.31 C ATOM 925 C MET A 58 -6.235 -4.070 3.761 1.00 41.32 C ATOM 926 O MET A 58 -5.062 -3.977 4.084 1.00 0.14 O ATOM 927 CB MET A 58 -7.618 -2.005 3.892 1.00 5.32 C ATOM 928 CG MET A 58 -7.861 -0.618 3.294 1.00 32.04 C ATOM 929 SD MET A 58 -8.132 0.666 4.552 1.00 62.45 S ATOM 930 CE MET A 58 -9.859 0.428 4.994 1.00 61.41 C ATOM 0 H MET A 58 -8.757 -3.227 2.064 1.00 42.43 H new ATOM 0 HA MET A 58 -6.104 -2.405 2.398 1.00 70.31 H new ATOM 0 HB2 MET A 58 -8.575 -2.449 4.166 1.00 5.32 H new ATOM 0 HB3 MET A 58 -7.040 -1.902 4.810 1.00 5.32 H new ATOM 0 HG2 MET A 58 -7.006 -0.340 2.678 1.00 32.04 H new ATOM 0 HG3 MET A 58 -8.728 -0.660 2.635 1.00 32.04 H new ATOM 0 HE1 MET A 58 -10.027 0.786 6.010 1.00 61.41 H new ATOM 0 HE2 MET A 58 -10.492 0.985 4.303 1.00 61.41 H new ATOM 0 HE3 MET A 58 -10.106 -0.632 4.937 1.00 61.41 H new ATOM 940 N ASP A 59 -6.950 -5.148 4.068 1.00 20.22 N ATOM 941 CA ASP A 59 -6.505 -6.298 4.861 1.00 11.13 C ATOM 942 C ASP A 59 -5.244 -6.917 4.290 1.00 43.40 C ATOM 943 O ASP A 59 -4.237 -7.106 4.966 1.00 43.03 O ATOM 944 CB ASP A 59 -7.602 -7.366 4.852 1.00 33.41 C ATOM 945 CG ASP A 59 -7.629 -8.195 6.131 1.00 41.22 C ATOM 946 OD1 ASP A 59 -7.700 -7.599 7.228 1.00 12.25 O ATOM 947 OD2 ASP A 59 -7.680 -9.441 6.006 1.00 1.10 O ATOM 0 H ASP A 59 -7.914 -5.252 3.753 1.00 20.22 H new ATOM 0 HA ASP A 59 -6.299 -5.946 5.872 1.00 11.13 H new ATOM 0 HB2 ASP A 59 -8.570 -6.885 4.716 1.00 33.41 H new ATOM 0 HB3 ASP A 59 -7.452 -8.027 3.999 1.00 33.41 H new ATOM 952 N ILE A 60 -5.304 -7.195 2.993 1.00 41.20 N ATOM 953 CA ILE A 60 -4.245 -7.798 2.211 1.00 43.24 C ATOM 954 C ILE A 60 -3.029 -6.858 2.189 1.00 51.44 C ATOM 955 O ILE A 60 -1.902 -7.315 1.976 1.00 65.13 O ATOM 956 CB ILE A 60 -4.869 -8.122 0.834 1.00 14.42 C ATOM 957 CG1 ILE A 60 -6.041 -9.131 0.941 1.00 0.11 C ATOM 958 CG2 ILE A 60 -3.856 -8.658 -0.185 1.00 63.43 C ATOM 959 CD1 ILE A 60 -7.055 -8.953 -0.196 1.00 53.14 C ATOM 0 H ILE A 60 -6.135 -6.994 2.436 1.00 41.20 H new ATOM 0 HA ILE A 60 -3.854 -8.727 2.625 1.00 43.24 H new ATOM 0 HB ILE A 60 -5.243 -7.163 0.476 1.00 14.42 H new ATOM 0 HG12 ILE A 60 -5.648 -10.147 0.921 1.00 0.11 H new ATOM 0 HG13 ILE A 60 -6.544 -9.003 1.899 1.00 0.11 H new ATOM 0 HG21 ILE A 60 -4.363 -8.864 -1.128 1.00 63.43 H new ATOM 0 HG22 ILE A 60 -3.075 -7.915 -0.347 1.00 63.43 H new ATOM 0 HG23 ILE A 60 -3.409 -9.577 0.195 1.00 63.43 H new ATOM 0 HD11 ILE A 60 -7.860 -9.680 -0.083 1.00 53.14 H new ATOM 0 HD12 ILE A 60 -7.469 -7.945 -0.160 1.00 53.14 H new ATOM 0 HD13 ILE A 60 -6.558 -9.108 -1.154 1.00 53.14 H new ATOM 971 N ALA A 61 -3.237 -5.546 2.344 1.00 41.43 N ATOM 972 CA ALA A 61 -2.173 -4.554 2.393 1.00 22.55 C ATOM 973 C ALA A 61 -1.623 -4.483 3.827 1.00 70.51 C ATOM 974 O ALA A 61 -0.412 -4.376 3.998 1.00 42.34 O ATOM 975 CB ALA A 61 -2.684 -3.186 1.924 1.00 22.21 C ATOM 0 H ALA A 61 -4.169 -5.143 2.440 1.00 41.43 H new ATOM 0 HA ALA A 61 -1.369 -4.846 1.718 1.00 22.55 H new ATOM 0 HB1 ALA A 61 -1.873 -2.460 1.969 1.00 22.21 H new ATOM 0 HB2 ALA A 61 -3.045 -3.264 0.898 1.00 22.21 H new ATOM 0 HB3 ALA A 61 -3.498 -2.860 2.571 1.00 22.21 H new ATOM 981 N LEU A 62 -2.490 -4.562 4.846 1.00 31.25 N ATOM 982 CA LEU A 62 -2.153 -4.502 6.272 1.00 34.41 C ATOM 983 C LEU A 62 -1.214 -5.639 6.638 1.00 31.01 C ATOM 984 O LEU A 62 -0.182 -5.422 7.272 1.00 30.41 O ATOM 985 CB LEU A 62 -3.434 -4.580 7.127 1.00 72.01 C ATOM 986 CG LEU A 62 -4.073 -3.201 7.353 1.00 21.31 C ATOM 987 CD1 LEU A 62 -5.570 -3.329 7.658 1.00 25.35 C ATOM 988 CD2 LEU A 62 -3.364 -2.493 8.516 1.00 65.45 C ATOM 0 H LEU A 62 -3.492 -4.675 4.689 1.00 31.25 H new ATOM 0 HA LEU A 62 -1.654 -3.554 6.472 1.00 34.41 H new ATOM 0 HB2 LEU A 62 -4.155 -5.235 6.638 1.00 72.01 H new ATOM 0 HB3 LEU A 62 -3.197 -5.030 8.091 1.00 72.01 H new ATOM 0 HG LEU A 62 -3.962 -2.615 6.441 1.00 21.31 H new ATOM 0 HD11 LEU A 62 -5.996 -2.338 7.813 1.00 25.35 H new ATOM 0 HD12 LEU A 62 -6.072 -3.812 6.820 1.00 25.35 H new ATOM 0 HD13 LEU A 62 -5.708 -3.928 8.558 1.00 25.35 H new ATOM 0 HD21 LEU A 62 -3.817 -1.515 8.677 1.00 65.45 H new ATOM 0 HD22 LEU A 62 -3.463 -3.092 9.421 1.00 65.45 H new ATOM 0 HD23 LEU A 62 -2.308 -2.369 8.277 1.00 65.45 H new ATOM 1000 N LEU A 63 -1.537 -6.832 6.145 1.00 32.34 N ATOM 1001 CA LEU A 63 -0.808 -8.077 6.343 1.00 61.42 C ATOM 1002 C LEU A 63 0.649 -8.028 5.865 1.00 34.13 C ATOM 1003 O LEU A 63 1.381 -8.999 6.070 1.00 63.24 O ATOM 1004 CB LEU A 63 -1.599 -9.196 5.636 1.00 54.25 C ATOM 1005 CG LEU A 63 -2.833 -9.652 6.436 1.00 21.23 C ATOM 1006 CD1 LEU A 63 -3.708 -10.556 5.566 1.00 74.22 C ATOM 1007 CD2 LEU A 63 -2.445 -10.424 7.701 1.00 62.03 C ATOM 0 H LEU A 63 -2.364 -6.960 5.562 1.00 32.34 H new ATOM 0 HA LEU A 63 -0.733 -8.267 7.414 1.00 61.42 H new ATOM 0 HB2 LEU A 63 -1.918 -8.845 4.654 1.00 54.25 H new ATOM 0 HB3 LEU A 63 -0.942 -10.050 5.471 1.00 54.25 H new ATOM 0 HG LEU A 63 -3.376 -8.754 6.731 1.00 21.23 H new ATOM 0 HD11 LEU A 63 -4.580 -10.876 6.136 1.00 74.22 H new ATOM 0 HD12 LEU A 63 -4.034 -10.006 4.683 1.00 74.22 H new ATOM 0 HD13 LEU A 63 -3.135 -11.430 5.258 1.00 74.22 H new ATOM 0 HD21 LEU A 63 -3.347 -10.726 8.234 1.00 62.03 H new ATOM 0 HD22 LEU A 63 -1.873 -11.310 7.426 1.00 62.03 H new ATOM 0 HD23 LEU A 63 -1.839 -9.786 8.345 1.00 62.03 H new ATOM 1019 N GLN A 64 1.084 -6.952 5.204 1.00 1.03 N ATOM 1020 CA GLN A 64 2.444 -6.794 4.714 1.00 25.24 C ATOM 1021 C GLN A 64 3.349 -6.135 5.774 1.00 62.40 C ATOM 1022 O GLN A 64 4.550 -5.985 5.536 1.00 61.31 O ATOM 1023 CB GLN A 64 2.431 -5.998 3.401 1.00 31.40 C ATOM 1024 CG GLN A 64 1.389 -6.502 2.390 1.00 42.41 C ATOM 1025 CD GLN A 64 1.678 -7.887 1.812 1.00 20.00 C ATOM 1026 OE1 GLN A 64 2.818 -8.290 1.602 1.00 3.35 O ATOM 1027 NE2 GLN A 64 0.636 -8.645 1.521 1.00 72.34 N ATOM 0 H GLN A 64 0.484 -6.154 4.994 1.00 1.03 H new ATOM 0 HA GLN A 64 2.864 -7.780 4.515 1.00 25.24 H new ATOM 0 HB2 GLN A 64 2.233 -4.949 3.623 1.00 31.40 H new ATOM 0 HB3 GLN A 64 3.420 -6.046 2.946 1.00 31.40 H new ATOM 0 HG2 GLN A 64 0.413 -6.522 2.874 1.00 42.41 H new ATOM 0 HG3 GLN A 64 1.323 -5.787 1.570 1.00 42.41 H new ATOM 0 HE21 GLN A 64 -0.309 -8.303 1.698 1.00 72.34 H new ATOM 0 HE22 GLN A 64 0.776 -9.572 1.119 1.00 72.34 H new ATOM 1036 N HIS A 65 2.814 -5.728 6.932 1.00 50.50 N ATOM 1037 CA HIS A 65 3.559 -5.104 8.019 1.00 32.34 C ATOM 1038 C HIS A 65 4.649 -6.064 8.484 1.00 42.05 C ATOM 1039 O HIS A 65 4.367 -7.137 9.013 1.00 12.42 O ATOM 1040 CB HIS A 65 2.604 -4.738 9.161 1.00 10.35 C ATOM 1041 CG HIS A 65 3.130 -3.780 10.200 1.00 21.31 C ATOM 1042 ND1 HIS A 65 4.227 -2.921 10.067 1.00 34.04 N ATOM 1043 CD2 HIS A 65 2.427 -3.425 11.311 1.00 72.10 C ATOM 1044 CE1 HIS A 65 4.136 -2.058 11.099 1.00 15.24 C ATOM 1045 NE2 HIS A 65 3.073 -2.348 11.863 1.00 20.41 N ATOM 0 H HIS A 65 1.820 -5.829 7.139 1.00 50.50 H new ATOM 0 HA HIS A 65 4.031 -4.183 7.677 1.00 32.34 H new ATOM 0 HB2 HIS A 65 1.702 -4.307 8.726 1.00 10.35 H new ATOM 0 HB3 HIS A 65 2.307 -5.658 9.665 1.00 10.35 H new ATOM 0 HD2 HIS A 65 1.532 -3.900 11.686 1.00 72.10 H new ATOM 0 HE1 HIS A 65 4.824 -1.246 11.284 1.00 15.24 H new ATOM 0 HE2 HIS A 65 2.793 -1.853 12.709 1.00 20.41 H new ATOM 1053 N GLY A 66 5.898 -5.682 8.244 1.00 72.34 N ATOM 1054 CA GLY A 66 7.093 -6.437 8.599 1.00 51.43 C ATOM 1055 C GLY A 66 7.600 -7.389 7.518 1.00 12.20 C ATOM 1056 O GLY A 66 8.561 -8.113 7.790 1.00 1.32 O ATOM 0 H GLY A 66 6.114 -4.801 7.777 1.00 72.34 H new ATOM 0 HA2 GLY A 66 7.889 -5.734 8.845 1.00 51.43 H new ATOM 0 HA3 GLY A 66 6.886 -7.013 9.501 1.00 51.43 H new ATOM 1060 N THR A 67 6.991 -7.423 6.330 1.00 12.14 N ATOM 1061 CA THR A 67 7.461 -8.302 5.262 1.00 41.41 C ATOM 1062 C THR A 67 8.800 -7.775 4.730 1.00 13.13 C ATOM 1063 O THR A 67 9.147 -6.607 4.940 1.00 13.21 O ATOM 1064 CB THR A 67 6.402 -8.457 4.155 1.00 54.15 C ATOM 1065 OG1 THR A 67 5.980 -7.216 3.625 1.00 62.33 O ATOM 1066 CG2 THR A 67 5.181 -9.224 4.668 1.00 53.24 C ATOM 0 H THR A 67 6.178 -6.856 6.087 1.00 12.14 H new ATOM 0 HA THR A 67 7.623 -9.304 5.659 1.00 41.41 H new ATOM 0 HB THR A 67 6.883 -9.019 3.355 1.00 54.15 H new ATOM 0 HG1 THR A 67 5.386 -6.772 4.266 1.00 62.33 H new ATOM 0 HG21 THR A 67 4.448 -9.320 3.867 1.00 53.24 H new ATOM 0 HG22 THR A 67 5.487 -10.216 5.000 1.00 53.24 H new ATOM 0 HG23 THR A 67 4.736 -8.683 5.504 1.00 53.24 H new ATOM 1074 N LEU A 68 9.563 -8.634 4.049 1.00 75.14 N ATOM 1075 CA LEU A 68 10.863 -8.329 3.472 1.00 54.40 C ATOM 1076 C LEU A 68 10.750 -8.291 1.953 1.00 13.42 C ATOM 1077 O LEU A 68 10.569 -9.335 1.325 1.00 70.55 O ATOM 1078 CB LEU A 68 11.921 -9.367 3.894 1.00 2.23 C ATOM 1079 CG LEU A 68 12.165 -9.522 5.408 1.00 43.31 C ATOM 1080 CD1 LEU A 68 13.527 -10.139 5.705 1.00 32.01 C ATOM 1081 CD2 LEU A 68 12.200 -8.191 6.134 1.00 24.23 C ATOM 0 H LEU A 68 9.275 -9.598 3.881 1.00 75.14 H new ATOM 0 HA LEU A 68 11.182 -7.355 3.842 1.00 54.40 H new ATOM 0 HB2 LEU A 68 11.626 -10.337 3.495 1.00 2.23 H new ATOM 0 HB3 LEU A 68 12.867 -9.102 3.421 1.00 2.23 H new ATOM 0 HG LEU A 68 11.338 -10.147 5.745 1.00 43.31 H new ATOM 0 HD11 LEU A 68 13.658 -10.230 6.783 1.00 32.01 H new ATOM 0 HD12 LEU A 68 13.587 -11.127 5.247 1.00 32.01 H new ATOM 0 HD13 LEU A 68 14.312 -9.502 5.297 1.00 32.01 H new ATOM 0 HD21 LEU A 68 12.375 -8.361 7.196 1.00 24.23 H new ATOM 0 HD22 LEU A 68 13.003 -7.576 5.728 1.00 24.23 H new ATOM 0 HD23 LEU A 68 11.247 -7.678 6.000 1.00 24.23 H new ATOM 1093 N LEU A 69 10.840 -7.105 1.360 1.00 2.34 N ATOM 1094 CA LEU A 69 10.780 -6.859 -0.083 1.00 73.52 C ATOM 1095 C LEU A 69 12.182 -6.375 -0.457 1.00 71.54 C ATOM 1096 O LEU A 69 12.708 -5.501 0.238 1.00 35.14 O ATOM 1097 CB LEU A 69 9.716 -5.787 -0.403 1.00 32.41 C ATOM 1098 CG LEU A 69 8.776 -6.135 -1.562 1.00 14.54 C ATOM 1099 CD1 LEU A 69 7.735 -5.019 -1.705 1.00 53.15 C ATOM 1100 CD2 LEU A 69 9.523 -6.281 -2.888 1.00 13.33 C ATOM 0 H LEU A 69 10.963 -6.246 1.895 1.00 2.34 H new ATOM 0 HA LEU A 69 10.497 -7.749 -0.646 1.00 73.52 H new ATOM 0 HB2 LEU A 69 9.117 -5.612 0.491 1.00 32.41 H new ATOM 0 HB3 LEU A 69 10.223 -4.851 -0.635 1.00 32.41 H new ATOM 0 HG LEU A 69 8.305 -7.092 -1.335 1.00 14.54 H new ATOM 0 HD11 LEU A 69 7.059 -5.255 -2.527 1.00 53.15 H new ATOM 0 HD12 LEU A 69 7.165 -4.933 -0.780 1.00 53.15 H new ATOM 0 HD13 LEU A 69 8.240 -4.075 -1.910 1.00 53.15 H new ATOM 0 HD21 LEU A 69 8.815 -6.528 -3.679 1.00 13.33 H new ATOM 0 HD22 LEU A 69 10.024 -5.343 -3.129 1.00 13.33 H new ATOM 0 HD23 LEU A 69 10.264 -7.076 -2.803 1.00 13.33 H new ATOM 1112 N LYS A 70 12.798 -6.906 -1.525 1.00 10.55 N ATOM 1113 CA LYS A 70 14.156 -6.521 -1.949 1.00 53.13 C ATOM 1114 C LYS A 70 15.133 -6.474 -0.756 1.00 44.22 C ATOM 1115 O LYS A 70 15.914 -5.538 -0.582 1.00 13.52 O ATOM 1116 CB LYS A 70 14.127 -5.205 -2.735 1.00 75.33 C ATOM 1117 CG LYS A 70 13.470 -5.259 -4.109 1.00 61.51 C ATOM 1118 CD LYS A 70 13.476 -3.832 -4.672 1.00 41.21 C ATOM 1119 CE LYS A 70 12.453 -3.711 -5.791 1.00 72.12 C ATOM 1120 NZ LYS A 70 13.087 -3.702 -7.127 1.00 3.21 N ATOM 0 H LYS A 70 12.369 -7.615 -2.120 1.00 10.55 H new ATOM 0 HA LYS A 70 14.533 -7.291 -2.622 1.00 53.13 H new ATOM 0 HB2 LYS A 70 13.607 -4.458 -2.135 1.00 75.33 H new ATOM 0 HB3 LYS A 70 15.152 -4.856 -2.858 1.00 75.33 H new ATOM 0 HG2 LYS A 70 14.014 -5.935 -4.769 1.00 61.51 H new ATOM 0 HG3 LYS A 70 12.451 -5.638 -4.033 1.00 61.51 H new ATOM 0 HD2 LYS A 70 13.247 -3.119 -3.880 1.00 41.21 H new ATOM 0 HD3 LYS A 70 14.469 -3.584 -5.047 1.00 41.21 H new ATOM 0 HE2 LYS A 70 11.750 -4.542 -5.730 1.00 72.12 H new ATOM 0 HE3 LYS A 70 11.877 -2.795 -5.657 1.00 72.12 H new ATOM 0 HZ1 LYS A 70 12.686 -2.930 -7.696 1.00 3.21 H new ATOM 0 HZ2 LYS A 70 14.112 -3.560 -7.024 1.00 3.21 H new ATOM 0 HZ3 LYS A 70 12.909 -4.610 -7.602 1.00 3.21 H new ATOM 1134 N GLU A 71 15.072 -7.511 0.077 1.00 62.13 N ATOM 1135 CA GLU A 71 15.861 -7.762 1.288 1.00 44.23 C ATOM 1136 C GLU A 71 15.660 -6.768 2.433 1.00 53.31 C ATOM 1137 O GLU A 71 16.289 -6.928 3.481 1.00 52.13 O ATOM 1138 CB GLU A 71 17.363 -7.904 0.986 1.00 44.00 C ATOM 1139 CG GLU A 71 17.691 -8.846 -0.178 1.00 43.14 C ATOM 1140 CD GLU A 71 19.024 -9.566 0.023 1.00 42.42 C ATOM 1141 OE1 GLU A 71 19.952 -9.050 0.685 1.00 21.42 O ATOM 1142 OE2 GLU A 71 19.119 -10.744 -0.386 1.00 71.12 O ATOM 0 H GLU A 71 14.409 -8.268 -0.091 1.00 62.13 H new ATOM 0 HA GLU A 71 15.461 -8.711 1.644 1.00 44.23 H new ATOM 0 HB2 GLU A 71 17.771 -6.918 0.765 1.00 44.00 H new ATOM 0 HB3 GLU A 71 17.868 -8.264 1.882 1.00 44.00 H new ATOM 0 HG2 GLU A 71 16.894 -9.582 -0.284 1.00 43.14 H new ATOM 0 HG3 GLU A 71 17.724 -8.276 -1.107 1.00 43.14 H new ATOM 1149 N LYS A 72 14.807 -5.758 2.285 1.00 54.20 N ATOM 1150 CA LYS A 72 14.568 -4.769 3.325 1.00 24.12 C ATOM 1151 C LYS A 72 13.178 -4.958 3.898 1.00 13.22 C ATOM 1152 O LYS A 72 12.222 -5.235 3.174 1.00 15.32 O ATOM 1153 CB LYS A 72 14.709 -3.365 2.747 1.00 61.14 C ATOM 1154 CG LYS A 72 16.158 -2.911 2.508 1.00 51.54 C ATOM 1155 CD LYS A 72 16.613 -1.884 3.552 1.00 31.35 C ATOM 1156 CE LYS A 72 15.767 -0.605 3.434 1.00 73.31 C ATOM 1157 NZ LYS A 72 15.488 0.002 4.747 1.00 71.42 N ATOM 0 H LYS A 72 14.262 -5.604 1.437 1.00 54.20 H new ATOM 0 HA LYS A 72 15.302 -4.898 4.120 1.00 24.12 H new ATOM 0 HB2 LYS A 72 14.168 -3.320 1.802 1.00 61.14 H new ATOM 0 HB3 LYS A 72 14.228 -2.658 3.423 1.00 61.14 H new ATOM 0 HG2 LYS A 72 16.820 -3.777 2.538 1.00 51.54 H new ATOM 0 HG3 LYS A 72 16.244 -2.478 1.511 1.00 51.54 H new ATOM 0 HD2 LYS A 72 16.516 -2.303 4.553 1.00 31.35 H new ATOM 0 HD3 LYS A 72 17.667 -1.648 3.407 1.00 31.35 H new ATOM 0 HE2 LYS A 72 16.289 0.117 2.806 1.00 73.31 H new ATOM 0 HE3 LYS A 72 14.826 -0.839 2.937 1.00 73.31 H new ATOM 0 HZ1 LYS A 72 14.503 0.334 4.774 1.00 71.42 H new ATOM 0 HZ2 LYS A 72 15.635 -0.706 5.495 1.00 71.42 H new ATOM 0 HZ3 LYS A 72 16.129 0.806 4.901 1.00 71.42 H new ATOM 1171 N LYS A 73 13.057 -4.811 5.212 1.00 34.03 N ATOM 1172 CA LYS A 73 11.801 -4.939 5.916 1.00 11.44 C ATOM 1173 C LYS A 73 11.015 -3.653 5.735 1.00 73.43 C ATOM 1174 O LYS A 73 11.607 -2.597 5.516 1.00 63.34 O ATOM 1175 CB LYS A 73 12.113 -5.210 7.396 1.00 71.12 C ATOM 1176 CG LYS A 73 10.859 -5.635 8.168 1.00 20.34 C ATOM 1177 CD LYS A 73 11.161 -6.683 9.250 1.00 11.14 C ATOM 1178 CE LYS A 73 10.078 -6.689 10.334 1.00 50.21 C ATOM 1179 NZ LYS A 73 10.068 -5.455 11.153 1.00 62.15 N ATOM 0 H LYS A 73 13.846 -4.596 5.822 1.00 34.03 H new ATOM 0 HA LYS A 73 11.200 -5.762 5.529 1.00 11.44 H new ATOM 0 HB2 LYS A 73 12.870 -5.991 7.472 1.00 71.12 H new ATOM 0 HB3 LYS A 73 12.534 -4.313 7.850 1.00 71.12 H new ATOM 0 HG2 LYS A 73 10.407 -4.758 8.632 1.00 20.34 H new ATOM 0 HG3 LYS A 73 10.126 -6.039 7.470 1.00 20.34 H new ATOM 0 HD2 LYS A 73 11.228 -7.671 8.794 1.00 11.14 H new ATOM 0 HD3 LYS A 73 12.130 -6.474 9.702 1.00 11.14 H new ATOM 0 HE2 LYS A 73 9.103 -6.814 9.864 1.00 50.21 H new ATOM 0 HE3 LYS A 73 10.230 -7.549 10.986 1.00 50.21 H new ATOM 0 HZ1 LYS A 73 9.561 -5.633 12.044 1.00 62.15 H new ATOM 0 HZ2 LYS A 73 11.046 -5.169 11.362 1.00 62.15 H new ATOM 0 HZ3 LYS A 73 9.590 -4.694 10.629 1.00 62.15 H new ATOM 1193 N ILE A 74 9.700 -3.727 5.867 1.00 23.24 N ATOM 1194 CA ILE A 74 8.783 -2.597 5.742 1.00 51.14 C ATOM 1195 C ILE A 74 7.838 -2.528 6.931 1.00 12.52 C ATOM 1196 O ILE A 74 7.797 -3.424 7.775 1.00 32.20 O ATOM 1197 CB ILE A 74 7.967 -2.629 4.430 1.00 54.52 C ATOM 1198 CG1 ILE A 74 6.966 -3.809 4.388 1.00 3.04 C ATOM 1199 CG2 ILE A 74 8.885 -2.611 3.207 1.00 65.02 C ATOM 1200 CD1 ILE A 74 6.012 -3.758 3.197 1.00 44.44 C ATOM 0 H ILE A 74 9.222 -4.605 6.071 1.00 23.24 H new ATOM 0 HA ILE A 74 9.406 -1.703 5.720 1.00 51.14 H new ATOM 0 HB ILE A 74 7.367 -1.720 4.402 1.00 54.52 H new ATOM 0 HG12 ILE A 74 7.522 -4.746 4.358 1.00 3.04 H new ATOM 0 HG13 ILE A 74 6.384 -3.814 5.309 1.00 3.04 H new ATOM 0 HG21 ILE A 74 8.282 -2.634 2.299 1.00 65.02 H new ATOM 0 HG22 ILE A 74 9.489 -1.704 3.219 1.00 65.02 H new ATOM 0 HG23 ILE A 74 9.539 -3.482 3.230 1.00 65.02 H new ATOM 0 HD11 ILE A 74 5.340 -4.615 3.232 1.00 44.44 H new ATOM 0 HD12 ILE A 74 5.429 -2.838 3.237 1.00 44.44 H new ATOM 0 HD13 ILE A 74 6.585 -3.784 2.270 1.00 44.44 H new ATOM 1212 N ASN A 75 7.106 -1.425 7.015 1.00 63.23 N ATOM 1213 CA ASN A 75 6.101 -1.140 8.020 1.00 22.42 C ATOM 1214 C ASN A 75 4.863 -0.689 7.273 1.00 31.35 C ATOM 1215 O ASN A 75 4.999 -0.068 6.219 1.00 4.52 O ATOM 1216 CB ASN A 75 6.532 -0.079 9.042 1.00 0.40 C ATOM 1217 CG ASN A 75 7.382 1.086 8.547 1.00 2.11 C ATOM 1218 OD1 ASN A 75 8.560 1.211 8.864 1.00 30.23 O ATOM 1219 ND2 ASN A 75 6.809 2.034 7.836 1.00 45.41 N ATOM 0 H ASN A 75 7.207 -0.664 6.343 1.00 63.23 H new ATOM 0 HA ASN A 75 5.923 -2.039 8.611 1.00 22.42 H new ATOM 0 HB2 ASN A 75 5.631 0.334 9.495 1.00 0.40 H new ATOM 0 HB3 ASN A 75 7.085 -0.583 9.834 1.00 0.40 H new ATOM 0 HD21 ASN A 75 7.344 2.856 7.557 1.00 45.41 H new ATOM 0 HD22 ASN A 75 5.830 1.946 7.564 1.00 45.41 H new ATOM 1226 N VAL A 76 3.681 -0.985 7.815 1.00 12.31 N ATOM 1227 CA VAL A 76 2.390 -0.635 7.237 1.00 34.42 C ATOM 1228 C VAL A 76 1.466 -0.176 8.366 1.00 11.14 C ATOM 1229 O VAL A 76 1.448 -0.814 9.412 1.00 3.53 O ATOM 1230 CB VAL A 76 1.802 -1.873 6.524 1.00 33.00 C ATOM 1231 CG1 VAL A 76 0.363 -1.604 6.062 1.00 32.05 C ATOM 1232 CG2 VAL A 76 2.613 -2.333 5.309 1.00 31.14 C ATOM 0 H VAL A 76 3.597 -1.491 8.697 1.00 12.31 H new ATOM 0 HA VAL A 76 2.497 0.168 6.508 1.00 34.42 H new ATOM 0 HB VAL A 76 1.834 -2.669 7.268 1.00 33.00 H new ATOM 0 HG11 VAL A 76 -0.030 -2.489 5.563 1.00 32.05 H new ATOM 0 HG12 VAL A 76 -0.258 -1.368 6.926 1.00 32.05 H new ATOM 0 HG13 VAL A 76 0.355 -0.763 5.369 1.00 32.05 H new ATOM 0 HG21 VAL A 76 2.137 -3.206 4.863 1.00 31.14 H new ATOM 0 HG22 VAL A 76 2.656 -1.529 4.575 1.00 31.14 H new ATOM 0 HG23 VAL A 76 3.624 -2.592 5.623 1.00 31.14 H new ATOM 1242 N GLU A 77 0.710 0.910 8.173 1.00 31.03 N ATOM 1243 CA GLU A 77 -0.254 1.475 9.126 1.00 25.34 C ATOM 1244 C GLU A 77 -1.410 2.096 8.323 1.00 44.13 C ATOM 1245 O GLU A 77 -1.328 2.181 7.093 1.00 31.02 O ATOM 1246 CB GLU A 77 0.347 2.604 9.990 1.00 62.13 C ATOM 1247 CG GLU A 77 1.803 2.496 10.446 1.00 33.41 C ATOM 1248 CD GLU A 77 2.177 1.341 11.382 1.00 3.14 C ATOM 1249 OE1 GLU A 77 1.335 0.830 12.155 1.00 33.41 O ATOM 1250 OE2 GLU A 77 3.396 1.064 11.461 1.00 41.33 O ATOM 0 H GLU A 77 0.755 1.446 7.306 1.00 31.03 H new ATOM 0 HA GLU A 77 -0.571 0.666 9.785 1.00 25.34 H new ATOM 0 HB2 GLU A 77 0.246 3.535 9.432 1.00 62.13 H new ATOM 0 HB3 GLU A 77 -0.271 2.699 10.883 1.00 62.13 H new ATOM 0 HG2 GLU A 77 2.428 2.421 9.556 1.00 33.41 H new ATOM 0 HG3 GLU A 77 2.068 3.429 10.944 1.00 33.41 H new ATOM 1257 N LEU A 78 -2.482 2.525 8.991 1.00 50.30 N ATOM 1258 CA LEU A 78 -3.646 3.177 8.394 1.00 23.43 C ATOM 1259 C LEU A 78 -3.422 4.687 8.400 1.00 43.15 C ATOM 1260 O LEU A 78 -2.714 5.202 9.273 1.00 24.31 O ATOM 1261 CB LEU A 78 -4.886 2.933 9.283 1.00 54.13 C ATOM 1262 CG LEU A 78 -5.991 2.041 8.717 1.00 2.13 C ATOM 1263 CD1 LEU A 78 -6.601 2.600 7.426 1.00 31.30 C ATOM 1264 CD2 LEU A 78 -5.515 0.605 8.528 1.00 64.22 C ATOM 0 H LEU A 78 -2.565 2.423 10.002 1.00 50.30 H new ATOM 0 HA LEU A 78 -3.789 2.784 7.387 1.00 23.43 H new ATOM 0 HB2 LEU A 78 -4.547 2.495 10.222 1.00 54.13 H new ATOM 0 HB3 LEU A 78 -5.324 3.902 9.523 1.00 54.13 H new ATOM 0 HG LEU A 78 -6.787 2.033 9.461 1.00 2.13 H new ATOM 0 HD11 LEU A 78 -7.380 1.926 7.070 1.00 31.30 H new ATOM 0 HD12 LEU A 78 -7.033 3.581 7.623 1.00 31.30 H new ATOM 0 HD13 LEU A 78 -5.825 2.691 6.666 1.00 31.30 H new ATOM 0 HD21 LEU A 78 -6.328 0.002 8.124 1.00 64.22 H new ATOM 0 HD22 LEU A 78 -4.673 0.589 7.836 1.00 64.22 H new ATOM 0 HD23 LEU A 78 -5.203 0.196 9.489 1.00 64.22 H new ATOM 1276 N THR A 79 -4.030 5.412 7.468 1.00 1.12 N ATOM 1277 CA THR A 79 -3.949 6.863 7.416 1.00 71.43 C ATOM 1278 C THR A 79 -5.182 7.349 6.659 1.00 13.30 C ATOM 1279 O THR A 79 -5.658 6.666 5.754 1.00 32.12 O ATOM 1280 CB THR A 79 -2.607 7.337 6.818 1.00 72.42 C ATOM 1281 OG1 THR A 79 -2.266 8.625 7.299 1.00 24.41 O ATOM 1282 CG2 THR A 79 -2.504 7.358 5.300 1.00 64.23 C ATOM 0 H THR A 79 -4.596 5.005 6.724 1.00 1.12 H new ATOM 0 HA THR A 79 -3.956 7.301 8.414 1.00 71.43 H new ATOM 0 HB THR A 79 -1.909 6.570 7.155 1.00 72.42 H new ATOM 0 HG1 THR A 79 -1.412 8.904 6.909 1.00 24.41 H new ATOM 0 HG21 THR A 79 -1.514 7.709 5.007 1.00 64.23 H new ATOM 0 HG22 THR A 79 -2.662 6.352 4.911 1.00 64.23 H new ATOM 0 HG23 THR A 79 -3.262 8.028 4.893 1.00 64.23 H new ATOM 1290 N VAL A 80 -5.675 8.531 7.031 1.00 54.43 N ATOM 1291 CA VAL A 80 -6.825 9.196 6.432 1.00 43.33 C ATOM 1292 C VAL A 80 -8.055 8.286 6.282 1.00 50.21 C ATOM 1293 O VAL A 80 -8.254 7.641 5.254 1.00 33.31 O ATOM 1294 CB VAL A 80 -6.386 9.812 5.091 1.00 1.31 C ATOM 1295 CG1 VAL A 80 -7.515 10.634 4.467 1.00 34.34 C ATOM 1296 CG2 VAL A 80 -5.164 10.735 5.224 1.00 25.12 C ATOM 0 H VAL A 80 -5.263 9.072 7.792 1.00 54.43 H new ATOM 0 HA VAL A 80 -7.158 9.983 7.109 1.00 43.33 H new ATOM 0 HB VAL A 80 -6.123 8.964 4.459 1.00 1.31 H new ATOM 0 HG11 VAL A 80 -7.177 11.057 3.521 1.00 34.34 H new ATOM 0 HG12 VAL A 80 -8.378 9.992 4.290 1.00 34.34 H new ATOM 0 HG13 VAL A 80 -7.796 11.440 5.145 1.00 34.34 H new ATOM 0 HG21 VAL A 80 -4.904 11.138 4.245 1.00 25.12 H new ATOM 0 HG22 VAL A 80 -5.399 11.555 5.903 1.00 25.12 H new ATOM 0 HG23 VAL A 80 -4.321 10.168 5.619 1.00 25.12 H new ATOM 1306 N GLY A 81 -8.913 8.269 7.300 1.00 54.04 N ATOM 1307 CA GLY A 81 -10.135 7.473 7.299 1.00 22.51 C ATOM 1308 C GLY A 81 -10.155 6.423 8.398 1.00 73.24 C ATOM 1309 O GLY A 81 -11.207 5.833 8.633 1.00 41.53 O ATOM 0 H GLY A 81 -8.778 8.811 8.153 1.00 54.04 H new ATOM 0 HA2 GLY A 81 -10.994 8.134 7.418 1.00 22.51 H new ATOM 0 HA3 GLY A 81 -10.243 6.982 6.332 1.00 22.51 H new ATOM 1313 N GLY A 82 -9.018 6.144 9.033 1.00 53.25 N ATOM 1314 CA GLY A 82 -8.938 5.183 10.121 1.00 61.32 C ATOM 1315 C GLY A 82 -9.325 5.962 11.355 1.00 65.43 C ATOM 1316 O GLY A 82 -8.490 6.793 11.766 1.00 11.52 O ATOM 0 H GLY A 82 -8.126 6.582 8.803 1.00 53.25 H new ATOM 0 HA2 GLY A 82 -9.612 4.343 9.956 1.00 61.32 H new ATOM 0 HA3 GLY A 82 -7.933 4.772 10.212 1.00 61.32 H new TER 1320 GLY A 82