USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 596 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: B 114 TYR OH : rot 180:sc= -1.61! USER MOD Set 1.2: B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 GLN : amide:sc= -0.497 K(o=0.31,f=-4.2) USER MOD Set 2.2: A 34 ASN : amide:sc= 0.811 K(o=0.31,f=-4.2) USER MOD Set 3.1: A 31 THR OG1 : rot -70:sc= -2.97! USER MOD Set 3.2: B 131 THR OG1 : rot -120:sc= 0 USER MOD Set 4.1: A 14 TYR OH : rot 142:sc= 0.512 USER MOD Set 4.2: A 23 ASN : amide:sc= -0.65! C(o=-1.2!,f=-9.7!) USER MOD Set 4.3: B 103 GLN : amide:sc= -1.1 X(o=-1.2,f=-1.5) USER MOD Set 5.1: A 13 SER OG : rot 64:sc= 1.93 USER MOD Set 5.2: B 133 GLN : amide:sc= 0.247 K(o=2.2,f=-0.037!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -104:sc= -2.43! USER MOD Single : A 8 THR OG1 : rot 47:sc= 0.168 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 113:sc= 0.511 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -118:sc= 0.71 USER MOD Single : A 30 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 32 MET CE :methyl 161:sc= -16.1! (180deg=-17!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot -36:sc= -1.14! USER MOD Single : B 108 THR OG1 : rot 47:sc= 0.276 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 113:sc= -0.902 USER MOD Single : B 115 GLN : amide:sc= -0.0901! C(o=-0.09!,f=-3.8!) USER MOD Single : B 120 TYR OH : rot 150:sc= -1.39 USER MOD Single : B 123 ASN : amide:sc= 0.447 K(o=0.45,f=-4.8!) USER MOD Single : B 125 SER OG : rot 180:sc= -0.347 USER MOD Single : B 129 SER OG : rot -115:sc= 0.298 USER MOD Single : B 130 THR OG1 : rot 91:sc= 0.098 USER MOD Single : B 132 MET CE :methyl -150:sc= -16.9! (180deg=-20.6!) USER MOD Single : B 134 ASN : amide:sc= -2.56 X(o=-2.6,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.568 -13.143 -18.682 1.00 0.00 N ATOM 21 CA LYS A 2 -13.358 -12.520 -17.367 1.00 0.00 C ATOM 22 C LYS A 2 -12.147 -13.100 -16.630 1.00 0.00 C ATOM 23 O LYS A 2 -12.032 -14.316 -16.452 1.00 0.00 O ATOM 24 CB LYS A 2 -14.617 -12.653 -16.501 1.00 0.00 C ATOM 25 CG LYS A 2 -15.873 -12.030 -17.112 1.00 0.00 C ATOM 26 CD LYS A 2 -15.563 -10.838 -18.017 1.00 0.00 C ATOM 27 CE LYS A 2 -14.991 -9.660 -17.240 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.841 -8.441 -17.376 1.00 0.00 N ATOM 0 HA LYS A 2 -13.153 -11.465 -17.547 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.805 -13.710 -16.314 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.429 -12.187 -15.534 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.406 -12.788 -17.687 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.540 -11.709 -16.312 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.853 -11.143 -18.786 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.473 -10.526 -18.529 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.904 -9.927 -16.187 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.984 -9.443 -17.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.419 -7.661 -16.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.903 -8.171 -18.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.794 -8.640 -17.011 1.00 0.00 H new ATOM 42 N GLN A 3 -11.249 -12.215 -16.201 1.00 0.00 N ATOM 43 CA GLN A 3 -10.046 -12.618 -15.488 1.00 0.00 C ATOM 44 C GLN A 3 -10.147 -12.305 -14.009 1.00 0.00 C ATOM 45 O GLN A 3 -10.135 -11.145 -13.602 1.00 0.00 O ATOM 46 CB GLN A 3 -8.802 -11.929 -16.081 1.00 0.00 C ATOM 47 CG GLN A 3 -7.535 -12.178 -15.273 1.00 0.00 C ATOM 48 CD GLN A 3 -6.900 -13.525 -15.555 1.00 0.00 C ATOM 49 OE1 GLN A 3 -6.006 -13.634 -16.389 1.00 0.00 O ATOM 50 NE2 GLN A 3 -7.351 -14.557 -14.854 1.00 0.00 N ATOM 0 H GLN A 3 -11.336 -11.208 -16.338 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.946 -13.697 -15.606 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.650 -12.283 -17.101 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.983 -10.856 -16.140 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.813 -11.391 -15.490 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.770 -12.110 -14.211 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -8.096 -14.423 -14.170 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.953 -15.485 -14.999 1.00 0.00 H new ATOM 59 N ARG A 4 -10.227 -13.349 -13.204 1.00 0.00 N ATOM 60 CA ARG A 4 -10.318 -13.174 -11.770 1.00 0.00 C ATOM 61 C ARG A 4 -8.955 -12.883 -11.175 1.00 0.00 C ATOM 62 O ARG A 4 -8.123 -13.776 -11.021 1.00 0.00 O ATOM 63 CB ARG A 4 -10.918 -14.404 -11.107 1.00 0.00 C ATOM 64 CG ARG A 4 -11.829 -14.054 -9.947 1.00 0.00 C ATOM 65 CD ARG A 4 -12.609 -15.269 -9.463 1.00 0.00 C ATOM 66 NE ARG A 4 -13.999 -15.260 -9.936 1.00 0.00 N ATOM 67 CZ ARG A 4 -14.404 -15.730 -11.116 1.00 0.00 C ATOM 68 NH1 ARG A 4 -13.547 -16.259 -11.969 1.00 0.00 N ATOM 69 NH2 ARG A 4 -15.681 -15.681 -11.434 1.00 0.00 N ATOM 0 H ARG A 4 -10.231 -14.319 -13.518 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.973 -12.323 -11.583 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.480 -14.973 -11.847 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -10.115 -15.049 -10.752 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.236 -13.651 -9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.524 -13.272 -10.252 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.115 -16.177 -9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.598 -15.295 -8.373 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.707 -14.865 -9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.557 -16.313 -11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.875 -16.614 -12.867 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -16.355 -15.285 -10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.996 -16.039 -12.336 1.00 0.00 H new ATOM 83 N ILE A 5 -8.751 -11.631 -10.801 1.00 0.00 N ATOM 84 CA ILE A 5 -7.511 -11.221 -10.176 1.00 0.00 C ATOM 85 C ILE A 5 -7.826 -10.850 -8.752 1.00 0.00 C ATOM 86 O ILE A 5 -8.697 -10.019 -8.488 1.00 0.00 O ATOM 87 CB ILE A 5 -6.810 -10.060 -10.927 1.00 0.00 C ATOM 88 CG1 ILE A 5 -6.852 -8.730 -10.148 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.412 -9.910 -12.309 1.00 0.00 C ATOM 90 CD1 ILE A 5 -8.114 -7.908 -10.357 1.00 0.00 C ATOM 0 H ILE A 5 -9.432 -10.881 -10.921 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.800 -12.046 -10.211 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.755 -10.316 -11.020 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.747 -8.945 -9.085 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.991 -8.128 -10.438 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.917 -9.093 -12.835 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.276 -10.836 -12.868 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.476 -9.693 -12.221 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.053 -6.992 -9.770 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -8.214 -7.656 -11.413 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.982 -8.486 -10.038 1.00 0.00 H new ATOM 102 N THR A 6 -7.175 -11.506 -7.830 1.00 0.00 N ATOM 103 CA THR A 6 -7.461 -11.258 -6.446 1.00 0.00 C ATOM 104 C THR A 6 -6.205 -10.889 -5.662 1.00 0.00 C ATOM 105 O THR A 6 -5.208 -11.610 -5.688 1.00 0.00 O ATOM 106 CB THR A 6 -8.222 -12.466 -5.852 1.00 0.00 C ATOM 107 OG1 THR A 6 -7.741 -12.813 -4.573 1.00 0.00 O ATOM 108 CG2 THR A 6 -8.188 -13.723 -6.709 1.00 0.00 C ATOM 0 H THR A 6 -6.454 -12.205 -8.009 1.00 0.00 H new ATOM 0 HA THR A 6 -8.110 -10.386 -6.364 1.00 0.00 H new ATOM 0 HB THR A 6 -9.253 -12.115 -5.804 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.187 -13.618 -4.639 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.747 -14.517 -6.213 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.638 -13.514 -7.680 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.155 -14.040 -6.849 1.00 0.00 H new ATOM 116 N VAL A 7 -6.297 -9.779 -4.912 1.00 0.00 N ATOM 117 CA VAL A 7 -5.216 -9.308 -4.044 1.00 0.00 C ATOM 118 C VAL A 7 -5.567 -9.737 -2.623 1.00 0.00 C ATOM 119 O VAL A 7 -6.496 -9.193 -2.023 1.00 0.00 O ATOM 120 CB VAL A 7 -5.000 -7.742 -4.113 1.00 0.00 C ATOM 121 CG1 VAL A 7 -6.091 -7.071 -4.933 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.922 -7.095 -2.719 1.00 0.00 C ATOM 0 H VAL A 7 -7.126 -9.185 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.275 -9.745 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.039 -7.589 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.915 -5.996 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.079 -7.468 -5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.062 -7.268 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.773 -6.020 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.850 -7.282 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.087 -7.524 -2.165 1.00 0.00 H new ATOM 132 N THR A 8 -4.869 -10.732 -2.094 1.00 0.00 N ATOM 133 CA THR A 8 -5.156 -11.214 -0.753 1.00 0.00 C ATOM 134 C THR A 8 -4.728 -10.180 0.280 1.00 0.00 C ATOM 135 O THR A 8 -3.558 -10.121 0.658 1.00 0.00 O ATOM 136 CB THR A 8 -4.458 -12.543 -0.508 1.00 0.00 C ATOM 137 OG1 THR A 8 -3.111 -12.495 -0.932 1.00 0.00 O ATOM 138 CG2 THR A 8 -5.124 -13.697 -1.215 1.00 0.00 C ATOM 0 H THR A 8 -4.107 -11.217 -2.569 1.00 0.00 H new ATOM 0 HA THR A 8 -6.230 -11.371 -0.658 1.00 0.00 H new ATOM 0 HB THR A 8 -4.519 -12.708 0.568 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.692 -11.675 -0.597 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.580 -14.617 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.152 -13.794 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.122 -13.515 -2.290 1.00 0.00 H new ATOM 146 N VAL A 9 -5.678 -9.355 0.712 1.00 0.00 N ATOM 147 CA VAL A 9 -5.391 -8.302 1.680 1.00 0.00 C ATOM 148 C VAL A 9 -5.560 -8.782 3.125 1.00 0.00 C ATOM 149 O VAL A 9 -5.163 -9.903 3.445 1.00 0.00 O ATOM 150 CB VAL A 9 -6.234 -7.031 1.427 1.00 0.00 C ATOM 151 CG1 VAL A 9 -5.497 -5.801 1.937 1.00 0.00 C ATOM 152 CG2 VAL A 9 -6.541 -6.868 -0.048 1.00 0.00 C ATOM 0 H VAL A 9 -6.651 -9.395 0.408 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.343 -8.040 1.537 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.175 -7.138 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.101 -4.913 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.317 -5.902 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.544 -5.706 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.135 -5.967 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.609 -6.786 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.100 -7.734 -0.401 1.00 0.00 H new ATOM 162 N ASP A 10 -6.063 -7.897 4.005 1.00 0.00 N ATOM 163 CA ASP A 10 -6.196 -8.164 5.442 1.00 0.00 C ATOM 164 C ASP A 10 -4.960 -7.573 6.143 1.00 0.00 C ATOM 165 O ASP A 10 -4.910 -7.448 7.367 1.00 0.00 O ATOM 166 CB ASP A 10 -6.354 -9.659 5.745 1.00 0.00 C ATOM 167 CG ASP A 10 -6.610 -9.939 7.214 1.00 0.00 C ATOM 168 OD1 ASP A 10 -7.713 -9.624 7.701 1.00 0.00 O ATOM 169 OD2 ASP A 10 -5.706 -10.492 7.878 1.00 0.00 O ATOM 0 H ASP A 10 -6.390 -6.970 3.733 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.105 -7.694 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.178 -10.059 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.453 -10.186 5.431 1.00 0.00 H new ATOM 174 N SER A 11 -3.985 -7.168 5.316 1.00 0.00 N ATOM 175 CA SER A 11 -2.756 -6.537 5.771 1.00 0.00 C ATOM 176 C SER A 11 -2.569 -5.203 5.041 1.00 0.00 C ATOM 177 O SER A 11 -2.456 -4.162 5.681 1.00 0.00 O ATOM 178 CB SER A 11 -1.553 -7.454 5.525 1.00 0.00 C ATOM 179 OG SER A 11 -0.489 -7.150 6.416 1.00 0.00 O ATOM 0 H SER A 11 -4.037 -7.275 4.303 1.00 0.00 H new ATOM 0 HA SER A 11 -2.826 -6.355 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.852 -8.494 5.652 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.212 -7.344 4.495 1.00 0.00 H new ATOM 0 HG SER A 11 0.266 -7.750 6.240 1.00 0.00 H new ATOM 185 N ASP A 12 -2.504 -5.251 3.692 1.00 0.00 N ATOM 186 CA ASP A 12 -2.295 -4.055 2.866 1.00 0.00 C ATOM 187 C ASP A 12 -3.220 -2.874 3.265 1.00 0.00 C ATOM 188 O ASP A 12 -2.888 -2.110 4.176 1.00 0.00 O ATOM 189 CB ASP A 12 -2.443 -4.429 1.382 1.00 0.00 C ATOM 190 CG ASP A 12 -1.835 -5.778 1.049 1.00 0.00 C ATOM 191 OD1 ASP A 12 -2.416 -6.804 1.468 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.788 -5.811 0.374 1.00 0.00 O ATOM 0 H ASP A 12 -2.595 -6.114 3.155 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.282 -3.694 3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.501 -4.438 1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.969 -3.662 0.770 1.00 0.00 H new ATOM 197 N SER A 13 -4.366 -2.691 2.583 1.00 0.00 N ATOM 198 CA SER A 13 -5.288 -1.582 2.897 1.00 0.00 C ATOM 199 C SER A 13 -6.542 -1.643 2.011 1.00 0.00 C ATOM 200 O SER A 13 -7.063 -0.622 1.557 1.00 0.00 O ATOM 201 CB SER A 13 -4.589 -0.237 2.713 1.00 0.00 C ATOM 202 OG SER A 13 -3.966 0.177 3.917 1.00 0.00 O ATOM 0 H SER A 13 -4.674 -3.291 1.818 1.00 0.00 H new ATOM 0 HA SER A 13 -5.593 -1.685 3.938 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.844 -0.315 1.921 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.313 0.514 2.397 1.00 0.00 H new ATOM 0 HG SER A 13 -3.259 -0.459 4.155 1.00 0.00 H new ATOM 208 N TYR A 14 -7.009 -2.861 1.773 1.00 0.00 N ATOM 209 CA TYR A 14 -8.187 -3.126 0.947 1.00 0.00 C ATOM 210 C TYR A 14 -9.493 -2.913 1.712 1.00 0.00 C ATOM 211 O TYR A 14 -10.483 -2.439 1.153 1.00 0.00 O ATOM 212 CB TYR A 14 -8.108 -4.553 0.457 1.00 0.00 C ATOM 213 CG TYR A 14 -9.412 -5.277 0.523 1.00 0.00 C ATOM 214 CD1 TYR A 14 -9.778 -5.966 1.662 1.00 0.00 C ATOM 215 CD2 TYR A 14 -10.258 -5.276 -0.557 1.00 0.00 C ATOM 216 CE1 TYR A 14 -10.969 -6.640 1.727 1.00 0.00 C ATOM 217 CE2 TYR A 14 -11.455 -5.953 -0.518 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.813 -6.637 0.635 1.00 0.00 C ATOM 219 OH TYR A 14 -13.001 -7.326 0.694 1.00 0.00 O ATOM 0 H TYR A 14 -6.578 -3.705 2.151 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.190 -2.424 0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.751 -4.556 -0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.371 -5.093 1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.115 -5.974 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.980 -4.736 -1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.245 -7.170 2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.110 -5.952 -1.377 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.697 -6.819 0.227 1.00 0.00 H new ATOM 229 N GLN A 15 -9.511 -3.315 2.975 1.00 0.00 N ATOM 230 CA GLN A 15 -10.720 -3.213 3.781 1.00 0.00 C ATOM 231 C GLN A 15 -11.360 -1.813 3.714 1.00 0.00 C ATOM 232 O GLN A 15 -12.570 -1.711 3.591 1.00 0.00 O ATOM 233 CB GLN A 15 -10.447 -3.628 5.232 1.00 0.00 C ATOM 234 CG GLN A 15 -9.553 -4.858 5.382 1.00 0.00 C ATOM 235 CD GLN A 15 -8.402 -4.632 6.344 1.00 0.00 C ATOM 236 OE1 GLN A 15 -8.566 -4.742 7.555 1.00 0.00 O ATOM 237 NE2 GLN A 15 -7.232 -4.309 5.812 1.00 0.00 N ATOM 0 H GLN A 15 -8.708 -3.713 3.462 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.444 -3.907 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.983 -2.791 5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.399 -3.824 5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.153 -5.698 5.731 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.156 -5.135 4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.137 -4.228 4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.426 -4.142 6.415 1.00 0.00 H new ATOM 246 N LEU A 16 -10.564 -0.742 3.790 1.00 0.00 N ATOM 247 CA LEU A 16 -11.100 0.641 3.735 1.00 0.00 C ATOM 248 C LEU A 16 -12.089 0.865 2.576 1.00 0.00 C ATOM 249 O LEU A 16 -13.034 1.640 2.696 1.00 0.00 O ATOM 250 CB LEU A 16 -9.955 1.646 3.594 1.00 0.00 C ATOM 251 CG LEU A 16 -9.763 2.577 4.788 1.00 0.00 C ATOM 252 CD1 LEU A 16 -8.581 3.502 4.555 1.00 0.00 C ATOM 253 CD2 LEU A 16 -11.029 3.378 5.039 1.00 0.00 C ATOM 0 H LEU A 16 -9.550 -0.795 3.889 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.641 0.791 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.028 1.097 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.131 2.252 2.705 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.555 1.973 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.458 4.159 5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.676 2.909 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.759 4.102 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.879 4.038 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.263 3.974 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.855 2.698 5.247 1.00 0.00 H new ATOM 265 N LEU A 17 -11.862 0.163 1.479 1.00 0.00 N ATOM 266 CA LEU A 17 -12.741 0.265 0.306 1.00 0.00 C ATOM 267 C LEU A 17 -14.018 -0.535 0.508 1.00 0.00 C ATOM 268 O LEU A 17 -15.124 0.012 0.508 1.00 0.00 O ATOM 269 CB LEU A 17 -12.026 -0.202 -0.953 1.00 0.00 C ATOM 270 CG LEU A 17 -11.754 0.888 -1.988 1.00 0.00 C ATOM 271 CD1 LEU A 17 -13.033 1.247 -2.719 1.00 0.00 C ATOM 272 CD2 LEU A 17 -11.151 2.117 -1.330 1.00 0.00 C ATOM 0 H LEU A 17 -11.082 -0.484 1.367 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.007 1.315 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.076 -0.654 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.623 -0.985 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.035 0.505 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.826 2.025 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.423 0.364 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.771 1.611 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.966 2.880 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.843 2.506 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.211 1.848 -0.848 1.00 0.00 H new ATOM 284 N LYS A 18 -13.851 -1.833 0.710 1.00 0.00 N ATOM 285 CA LYS A 18 -14.971 -2.729 0.947 1.00 0.00 C ATOM 286 C LYS A 18 -15.700 -2.324 2.216 1.00 0.00 C ATOM 287 O LYS A 18 -16.892 -2.583 2.383 1.00 0.00 O ATOM 288 CB LYS A 18 -14.455 -4.155 1.067 1.00 0.00 C ATOM 289 CG LYS A 18 -13.387 -4.275 2.134 1.00 0.00 C ATOM 290 CD LYS A 18 -13.734 -5.361 3.147 1.00 0.00 C ATOM 291 CE LYS A 18 -13.238 -5.006 4.541 1.00 0.00 C ATOM 292 NZ LYS A 18 -14.319 -5.088 5.565 1.00 0.00 N ATOM 0 H LYS A 18 -12.940 -2.292 0.714 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.670 -2.669 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.283 -4.823 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.049 -4.477 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.428 -4.503 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.273 -3.320 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.814 -5.506 3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.292 -6.307 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.427 -5.679 4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.826 -3.997 4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.933 -4.838 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.083 -4.427 5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.696 -6.057 5.595 1.00 0.00 H new ATOM 306 N ALA A 19 -14.956 -1.675 3.101 1.00 0.00 N ATOM 307 CA ALA A 19 -15.485 -1.205 4.365 1.00 0.00 C ATOM 308 C ALA A 19 -16.579 -0.175 4.141 1.00 0.00 C ATOM 309 O ALA A 19 -17.512 -0.075 4.937 1.00 0.00 O ATOM 310 CB ALA A 19 -14.381 -0.623 5.238 1.00 0.00 C ATOM 0 H ALA A 19 -13.969 -1.462 2.959 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.915 -2.061 4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.806 -0.278 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.632 -1.390 5.437 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.913 0.216 4.722 1.00 0.00 H new ATOM 316 N TYR A 20 -16.474 0.587 3.049 1.00 0.00 N ATOM 317 CA TYR A 20 -17.480 1.581 2.753 1.00 0.00 C ATOM 318 C TYR A 20 -18.616 0.974 1.921 1.00 0.00 C ATOM 319 O TYR A 20 -19.770 1.322 2.157 1.00 0.00 O ATOM 320 CB TYR A 20 -16.854 2.864 2.162 1.00 0.00 C ATOM 321 CG TYR A 20 -16.437 2.856 0.712 1.00 0.00 C ATOM 322 CD1 TYR A 20 -17.283 2.474 -0.315 1.00 0.00 C ATOM 323 CD2 TYR A 20 -15.165 3.286 0.384 1.00 0.00 C ATOM 324 CE1 TYR A 20 -16.859 2.518 -1.631 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.730 3.328 -0.914 1.00 0.00 C ATOM 326 CZ TYR A 20 -15.580 2.942 -1.926 1.00 0.00 C ATOM 327 OH TYR A 20 -15.164 3.004 -3.234 1.00 0.00 O ATOM 0 H TYR A 20 -15.713 0.529 2.373 1.00 0.00 H new ATOM 0 HA TYR A 20 -17.945 1.908 3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.569 3.675 2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -15.976 3.110 2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -18.284 2.138 -0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -14.496 3.597 1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.528 2.221 -2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.728 3.661 -1.142 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.025 3.940 -3.489 1.00 0.00 H new ATOM 337 N ASP A 21 -18.286 0.024 1.005 1.00 0.00 N ATOM 338 CA ASP A 21 -19.302 -0.698 0.185 1.00 0.00 C ATOM 339 C ASP A 21 -18.812 -0.964 -1.241 1.00 0.00 C ATOM 340 O ASP A 21 -19.607 -0.998 -2.182 1.00 0.00 O ATOM 341 CB ASP A 21 -20.643 0.058 0.136 1.00 0.00 C ATOM 342 CG ASP A 21 -21.733 -0.696 -0.606 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.916 -1.904 -0.334 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.409 -0.078 -1.455 1.00 0.00 O ATOM 0 H ASP A 21 -17.325 -0.261 0.815 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.458 -1.657 0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.977 0.256 1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -20.489 1.025 -0.343 1.00 0.00 H new ATOM 349 N VAL A 22 -17.507 -1.148 -1.406 1.00 0.00 N ATOM 350 CA VAL A 22 -16.938 -1.387 -2.725 1.00 0.00 C ATOM 351 C VAL A 22 -15.560 -2.015 -2.641 1.00 0.00 C ATOM 352 O VAL A 22 -14.577 -1.313 -2.415 1.00 0.00 O ATOM 353 CB VAL A 22 -16.817 -0.056 -3.495 1.00 0.00 C ATOM 354 CG1 VAL A 22 -16.017 -0.226 -4.778 1.00 0.00 C ATOM 355 CG2 VAL A 22 -18.186 0.526 -3.795 1.00 0.00 C ATOM 0 H VAL A 22 -16.827 -1.136 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.607 -2.074 -3.243 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.279 0.643 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.951 0.731 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.014 -0.578 -4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.512 -0.953 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -18.071 1.464 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.756 -0.178 -4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -18.716 0.710 -2.860 1.00 0.00 H new ATOM 365 N ASN A 23 -15.477 -3.329 -2.846 1.00 0.00 N ATOM 366 CA ASN A 23 -14.182 -4.002 -2.824 1.00 0.00 C ATOM 367 C ASN A 23 -13.276 -3.304 -3.853 1.00 0.00 C ATOM 368 O ASN A 23 -12.575 -2.348 -3.527 1.00 0.00 O ATOM 369 CB ASN A 23 -14.347 -5.503 -3.143 1.00 0.00 C ATOM 370 CG ASN A 23 -14.985 -6.290 -2.011 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.466 -6.330 -0.899 1.00 0.00 O ATOM 372 ND2 ASN A 23 -16.107 -6.939 -2.291 1.00 0.00 N ATOM 0 H ASN A 23 -16.275 -3.938 -3.026 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.731 -3.938 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.956 -5.612 -4.041 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.369 -5.930 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.568 -7.495 -1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -16.509 -6.882 -3.227 1.00 0.00 H new ATOM 379 N ILE A 24 -13.302 -3.778 -5.093 1.00 0.00 N ATOM 380 CA ILE A 24 -12.489 -3.161 -6.149 1.00 0.00 C ATOM 381 C ILE A 24 -12.993 -3.407 -7.563 1.00 0.00 C ATOM 382 O ILE A 24 -12.284 -3.076 -8.514 1.00 0.00 O ATOM 383 CB ILE A 24 -11.014 -3.590 -6.121 1.00 0.00 C ATOM 384 CG1 ILE A 24 -10.774 -4.662 -5.100 1.00 0.00 C ATOM 385 CG2 ILE A 24 -10.115 -2.409 -5.842 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.605 -5.883 -5.357 1.00 0.00 C ATOM 0 H ILE A 24 -13.865 -4.573 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.581 -2.101 -5.912 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.776 -3.993 -7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.719 -4.935 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.000 -4.273 -4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.076 -2.738 -5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.247 -1.659 -6.622 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.372 -1.976 -4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.398 -6.632 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.662 -5.617 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.361 -6.289 -6.339 1.00 0.00 H new ATOM 398 N SER A 25 -14.164 -4.016 -7.718 1.00 0.00 N ATOM 399 CA SER A 25 -14.660 -4.326 -9.064 1.00 0.00 C ATOM 400 C SER A 25 -14.331 -3.177 -10.028 1.00 0.00 C ATOM 401 O SER A 25 -13.517 -3.333 -10.956 1.00 0.00 O ATOM 402 CB SER A 25 -16.171 -4.575 -9.052 1.00 0.00 C ATOM 403 OG SER A 25 -16.549 -5.427 -10.120 1.00 0.00 O ATOM 0 H SER A 25 -14.777 -4.300 -6.954 1.00 0.00 H new ATOM 0 HA SER A 25 -14.164 -5.236 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.463 -5.023 -8.102 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.701 -3.626 -9.133 1.00 0.00 H new ATOM 0 HG SER A 25 -17.517 -5.575 -10.093 1.00 0.00 H new ATOM 409 N GLY A 26 -14.921 -2.007 -9.773 1.00 0.00 N ATOM 410 CA GLY A 26 -14.645 -0.839 -10.594 1.00 0.00 C ATOM 411 C GLY A 26 -13.391 -0.108 -10.142 1.00 0.00 C ATOM 412 O GLY A 26 -12.771 0.606 -10.925 1.00 0.00 O ATOM 0 H GLY A 26 -15.584 -1.849 -9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.531 -1.146 -11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.496 -0.159 -10.554 1.00 0.00 H new ATOM 416 N LEU A 27 -13.022 -0.294 -8.873 1.00 0.00 N ATOM 417 CA LEU A 27 -11.847 0.333 -8.301 1.00 0.00 C ATOM 418 C LEU A 27 -10.563 -0.190 -8.959 1.00 0.00 C ATOM 419 O LEU A 27 -9.802 0.596 -9.522 1.00 0.00 O ATOM 420 CB LEU A 27 -11.829 0.083 -6.788 1.00 0.00 C ATOM 421 CG LEU A 27 -11.198 1.174 -5.921 1.00 0.00 C ATOM 422 CD1 LEU A 27 -9.930 0.652 -5.266 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.909 2.422 -6.735 1.00 0.00 C ATOM 0 H LEU A 27 -13.535 -0.885 -8.219 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.890 1.406 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.856 -0.065 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.296 -0.850 -6.603 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.909 1.446 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.489 1.436 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.171 -0.207 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.220 0.352 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.461 3.180 -6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.219 2.178 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.839 2.806 -7.155 1.00 0.00 H new ATOM 435 N VAL A 28 -10.334 -1.515 -8.907 1.00 0.00 N ATOM 436 CA VAL A 28 -9.151 -2.120 -9.531 1.00 0.00 C ATOM 437 C VAL A 28 -9.055 -1.654 -10.985 1.00 0.00 C ATOM 438 O VAL A 28 -8.116 -0.964 -11.379 1.00 0.00 O ATOM 439 CB VAL A 28 -9.228 -3.673 -9.467 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.376 -4.326 -10.534 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.800 -4.178 -8.106 1.00 0.00 C ATOM 0 H VAL A 28 -10.951 -2.181 -8.441 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.261 -1.804 -8.987 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.269 -3.944 -9.645 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.459 -5.410 -10.453 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.719 -4.008 -11.519 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.335 -4.031 -10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.862 -5.266 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.773 -3.869 -7.910 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.456 -3.763 -7.341 1.00 0.00 H new ATOM 451 N SER A 29 -10.062 -2.032 -11.758 1.00 0.00 N ATOM 452 CA SER A 29 -10.181 -1.682 -13.165 1.00 0.00 C ATOM 453 C SER A 29 -9.996 -0.180 -13.438 1.00 0.00 C ATOM 454 O SER A 29 -9.255 0.196 -14.349 1.00 0.00 O ATOM 455 CB SER A 29 -11.563 -2.113 -13.654 1.00 0.00 C ATOM 456 OG SER A 29 -12.585 -1.691 -12.761 1.00 0.00 O ATOM 0 H SER A 29 -10.836 -2.603 -11.417 1.00 0.00 H new ATOM 0 HA SER A 29 -9.383 -2.198 -13.699 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.747 -1.695 -14.644 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.592 -3.198 -13.756 1.00 0.00 H new ATOM 0 HG SER A 29 -13.045 -2.476 -12.396 1.00 0.00 H new ATOM 462 N THR A 30 -10.658 0.679 -12.654 1.00 0.00 N ATOM 463 CA THR A 30 -10.542 2.122 -12.843 1.00 0.00 C ATOM 464 C THR A 30 -9.160 2.572 -12.445 1.00 0.00 C ATOM 465 O THR A 30 -8.471 3.267 -13.196 1.00 0.00 O ATOM 466 CB THR A 30 -11.583 2.870 -12.013 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.889 2.562 -12.454 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.423 4.372 -12.061 1.00 0.00 C ATOM 0 H THR A 30 -11.273 0.399 -11.890 1.00 0.00 H new ATOM 0 HA THR A 30 -10.717 2.347 -13.895 1.00 0.00 H new ATOM 0 HB THR A 30 -11.424 2.539 -10.987 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.117 1.647 -12.188 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.195 4.840 -11.450 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.440 4.646 -11.677 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.518 4.715 -13.091 1.00 0.00 H new ATOM 476 N THR A 31 -8.754 2.152 -11.253 1.00 0.00 N ATOM 477 CA THR A 31 -7.444 2.490 -10.749 1.00 0.00 C ATOM 478 C THR A 31 -6.390 2.054 -11.751 1.00 0.00 C ATOM 479 O THR A 31 -5.411 2.762 -11.998 1.00 0.00 O ATOM 480 CB THR A 31 -7.203 1.842 -9.385 1.00 0.00 C ATOM 481 OG1 THR A 31 -7.803 2.612 -8.365 1.00 0.00 O ATOM 482 CG2 THR A 31 -5.742 1.682 -9.032 1.00 0.00 C ATOM 0 H THR A 31 -9.317 1.579 -10.625 1.00 0.00 H new ATOM 0 HA THR A 31 -7.381 3.570 -10.615 1.00 0.00 H new ATOM 0 HB THR A 31 -7.645 0.848 -9.459 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.310 3.452 -8.256 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.654 1.215 -8.051 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.254 1.054 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.263 2.661 -9.013 1.00 0.00 H new ATOM 490 N MET A 32 -6.617 0.889 -12.346 1.00 0.00 N ATOM 491 CA MET A 32 -5.719 0.348 -13.338 1.00 0.00 C ATOM 492 C MET A 32 -5.595 1.274 -14.540 1.00 0.00 C ATOM 493 O MET A 32 -4.501 1.691 -14.872 1.00 0.00 O ATOM 494 CB MET A 32 -6.193 -1.029 -13.770 1.00 0.00 C ATOM 495 CG MET A 32 -5.425 -2.135 -13.087 1.00 0.00 C ATOM 496 SD MET A 32 -6.479 -3.259 -12.187 1.00 0.00 S ATOM 497 CE MET A 32 -5.236 -4.227 -11.358 1.00 0.00 C ATOM 0 H MET A 32 -7.427 0.301 -12.150 1.00 0.00 H new ATOM 0 HA MET A 32 -4.730 0.259 -12.889 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.254 -1.133 -13.545 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.085 -1.127 -14.850 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.861 -2.693 -13.834 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.700 -1.697 -12.401 1.00 0.00 H new ATOM 0 HE1 MET A 32 -5.684 -4.744 -10.509 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.822 -4.959 -12.052 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.440 -3.571 -11.005 1.00 0.00 H new ATOM 507 N GLN A 33 -6.708 1.597 -15.193 1.00 0.00 N ATOM 508 CA GLN A 33 -6.666 2.487 -16.360 1.00 0.00 C ATOM 509 C GLN A 33 -5.953 3.799 -16.031 1.00 0.00 C ATOM 510 O GLN A 33 -5.171 4.310 -16.839 1.00 0.00 O ATOM 511 CB GLN A 33 -8.085 2.747 -16.894 1.00 0.00 C ATOM 512 CG GLN A 33 -8.623 4.157 -16.648 1.00 0.00 C ATOM 513 CD GLN A 33 -8.074 5.190 -17.620 1.00 0.00 C ATOM 514 OE1 GLN A 33 -7.878 4.914 -18.803 1.00 0.00 O ATOM 515 NE2 GLN A 33 -7.824 6.392 -17.124 1.00 0.00 N ATOM 0 H GLN A 33 -7.639 1.264 -14.943 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.093 1.990 -17.143 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.094 2.554 -17.967 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.766 2.030 -16.435 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.710 4.141 -16.722 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.377 4.460 -15.630 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.999 6.583 -16.138 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.456 7.127 -17.728 1.00 0.00 H new ATOM 524 N ASN A 34 -6.211 4.335 -14.842 1.00 0.00 N ATOM 525 CA ASN A 34 -5.576 5.577 -14.422 1.00 0.00 C ATOM 526 C ASN A 34 -4.095 5.347 -14.143 1.00 0.00 C ATOM 527 O ASN A 34 -3.241 6.075 -14.658 1.00 0.00 O ATOM 528 CB ASN A 34 -6.285 6.153 -13.189 1.00 0.00 C ATOM 529 CG ASN A 34 -7.745 6.478 -13.455 1.00 0.00 C ATOM 530 OD1 ASN A 34 -8.127 6.803 -14.580 1.00 0.00 O ATOM 531 ND2 ASN A 34 -8.571 6.390 -12.422 1.00 0.00 N ATOM 0 H ASN A 34 -6.851 3.932 -14.158 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.661 6.304 -15.230 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.219 5.438 -12.369 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.768 7.057 -12.866 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.563 6.595 -12.543 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.215 6.117 -11.506 1.00 0.00 H new ATOM 538 N GLU A 35 -3.789 4.309 -13.365 1.00 0.00 N ATOM 539 CA GLU A 35 -2.402 3.969 -13.065 1.00 0.00 C ATOM 540 C GLU A 35 -1.699 3.453 -14.322 1.00 0.00 C ATOM 541 O GLU A 35 -0.481 3.570 -14.451 1.00 0.00 O ATOM 542 CB GLU A 35 -2.324 2.933 -11.939 1.00 0.00 C ATOM 543 CG GLU A 35 -2.023 3.541 -10.576 1.00 0.00 C ATOM 544 CD GLU A 35 -0.777 4.404 -10.580 1.00 0.00 C ATOM 545 OE1 GLU A 35 -0.895 5.617 -10.851 1.00 0.00 O ATOM 546 OE2 GLU A 35 0.317 3.864 -10.317 1.00 0.00 O ATOM 0 H GLU A 35 -4.479 3.694 -12.934 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.893 4.872 -12.727 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.269 2.393 -11.887 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.552 2.202 -12.181 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.874 4.141 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.903 2.741 -9.845 1.00 0.00 H new ATOM 553 N ALA A 36 -2.479 2.915 -15.266 1.00 0.00 N ATOM 554 CA ALA A 36 -1.950 2.419 -16.529 1.00 0.00 C ATOM 555 C ALA A 36 -1.514 3.588 -17.396 1.00 0.00 C ATOM 556 O ALA A 36 -0.410 3.594 -17.939 1.00 0.00 O ATOM 557 CB ALA A 36 -3.005 1.590 -17.248 1.00 0.00 C ATOM 0 H ALA A 36 -3.490 2.814 -15.171 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.086 1.784 -16.332 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.599 1.224 -18.191 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.291 0.744 -16.623 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.881 2.208 -17.445 1.00 0.00 H new ATOM 563 N ARG A 37 -2.382 4.596 -17.499 1.00 0.00 N ATOM 564 CA ARG A 37 -2.061 5.790 -18.273 1.00 0.00 C ATOM 565 C ARG A 37 -0.915 6.529 -17.627 1.00 0.00 C ATOM 566 O ARG A 37 0.094 6.833 -18.263 1.00 0.00 O ATOM 567 CB ARG A 37 -3.239 6.739 -18.320 1.00 0.00 C ATOM 568 CG ARG A 37 -3.930 6.788 -19.666 1.00 0.00 C ATOM 569 CD ARG A 37 -5.414 7.036 -19.499 1.00 0.00 C ATOM 570 NE ARG A 37 -6.120 7.045 -20.785 1.00 0.00 N ATOM 571 CZ ARG A 37 -5.947 7.960 -21.735 1.00 0.00 C ATOM 572 NH1 ARG A 37 -5.129 8.981 -21.549 1.00 0.00 N ATOM 573 NH2 ARG A 37 -6.605 7.855 -22.872 1.00 0.00 N ATOM 0 H ARG A 37 -3.303 4.608 -17.060 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.801 5.466 -19.281 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.963 6.443 -17.561 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.897 7.741 -18.061 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.491 7.577 -20.277 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.771 5.849 -20.196 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.840 6.265 -18.857 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.567 7.990 -18.995 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.790 6.297 -20.963 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.622 9.074 -20.669 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.005 9.676 -22.285 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.244 7.074 -23.021 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.475 8.555 -23.603 1.00 0.00 H new ATOM 587 N ARG A 38 -1.110 6.837 -16.352 1.00 0.00 N ATOM 588 CA ARG A 38 -0.117 7.567 -15.591 1.00 0.00 C ATOM 589 C ARG A 38 1.224 6.818 -15.578 1.00 0.00 C ATOM 590 O ARG A 38 2.257 7.401 -15.903 1.00 0.00 O ATOM 591 CB ARG A 38 -0.613 7.826 -14.163 1.00 0.00 C ATOM 592 CG ARG A 38 -0.336 9.239 -13.665 1.00 0.00 C ATOM 593 CD ARG A 38 -1.318 10.249 -14.246 1.00 0.00 C ATOM 594 NE ARG A 38 -1.468 11.425 -13.380 1.00 0.00 N ATOM 595 CZ ARG A 38 -2.061 12.559 -13.741 1.00 0.00 C ATOM 596 NH1 ARG A 38 -2.575 12.692 -14.948 1.00 0.00 N ATOM 597 NH2 ARG A 38 -2.144 13.560 -12.885 1.00 0.00 N ATOM 0 H ARG A 38 -1.949 6.591 -15.827 1.00 0.00 H new ATOM 0 HA ARG A 38 0.042 8.530 -16.076 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.686 7.639 -14.121 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.139 7.113 -13.488 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.396 9.259 -12.577 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.681 9.526 -13.933 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.974 10.565 -15.231 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.289 9.773 -14.384 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.090 11.368 -12.434 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.520 11.921 -15.614 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.028 13.566 -15.216 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.753 13.463 -11.948 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.599 14.430 -13.161 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.252 -13.357 5.563 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.242 -12.928 4.151 1.00 0.00 C ATOM 1186 C LYS B 102 -6.659 -12.860 3.564 1.00 0.00 C ATOM 1187 O LYS B 102 -7.350 -13.879 3.468 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.378 -13.883 3.313 1.00 0.00 C ATOM 1189 CG LYS B 102 -2.977 -14.102 3.873 1.00 0.00 C ATOM 1190 CD LYS B 102 -2.912 -15.347 4.750 1.00 0.00 C ATOM 1191 CE LYS B 102 -2.243 -16.507 4.032 1.00 0.00 C ATOM 1192 NZ LYS B 102 -2.395 -17.792 4.786 1.00 0.00 N ATOM 0 HA LYS B 102 -4.817 -11.925 4.117 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.884 -14.846 3.240 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.296 -13.489 2.300 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.267 -14.197 3.052 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.677 -13.230 4.455 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -2.363 -15.120 5.664 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -3.920 -15.636 5.047 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -2.675 -16.616 3.037 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -1.184 -16.288 3.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -1.925 -18.559 4.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -1.960 -17.696 5.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -3.405 -18.014 4.893 1.00 0.00 H new ATOM 1206 N GLN B 103 -7.086 -11.660 3.174 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.424 -11.469 2.607 1.00 0.00 C ATOM 1208 C GLN B 103 -8.398 -11.477 1.085 1.00 0.00 C ATOM 1209 O GLN B 103 -7.850 -10.574 0.454 1.00 0.00 O ATOM 1210 CB GLN B 103 -9.051 -10.159 3.121 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.229 -9.671 2.284 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.508 -9.513 3.083 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.539 -8.834 4.107 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.578 -10.130 2.608 1.00 0.00 N ATOM 0 H GLN B 103 -6.529 -10.808 3.239 1.00 0.00 H new ATOM 0 HA GLN B 103 -9.038 -12.308 2.935 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.383 -10.305 4.149 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.285 -9.384 3.141 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -9.972 -8.714 1.830 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.402 -10.374 1.469 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.510 -10.684 1.754 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.471 -10.051 3.095 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.987 -12.513 0.499 1.00 0.00 N ATOM 1224 CA ARG B 104 -9.001 -12.647 -0.949 1.00 0.00 C ATOM 1225 C ARG B 104 -10.038 -11.746 -1.599 1.00 0.00 C ATOM 1226 O ARG B 104 -11.231 -12.054 -1.637 1.00 0.00 O ATOM 1227 CB ARG B 104 -9.272 -14.091 -1.358 1.00 0.00 C ATOM 1228 CG ARG B 104 -8.467 -14.538 -2.569 1.00 0.00 C ATOM 1229 CD ARG B 104 -8.324 -16.050 -2.601 1.00 0.00 C ATOM 1230 NE ARG B 104 -6.930 -16.485 -2.440 1.00 0.00 N ATOM 1231 CZ ARG B 104 -6.287 -16.565 -1.281 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -6.887 -16.241 -0.155 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -5.040 -16.988 -1.250 1.00 0.00 N ATOM 0 H ARG B 104 -9.457 -13.266 1.001 1.00 0.00 H new ATOM 0 HA ARG B 104 -8.014 -12.343 -1.297 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -9.045 -14.747 -0.518 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -10.334 -14.206 -1.575 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.956 -14.196 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -7.480 -14.076 -2.544 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -8.932 -16.486 -1.808 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -8.713 -16.429 -3.546 1.00 0.00 H new ATOM 0 HE ARG B 104 -6.417 -16.745 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.857 -15.924 -0.167 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -6.382 -16.307 0.729 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.570 -17.253 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -4.544 -17.050 -0.361 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.540 -10.655 -2.151 1.00 0.00 N ATOM 1248 CA ILE B 105 -10.362 -9.702 -2.873 1.00 0.00 C ATOM 1249 C ILE B 105 -10.077 -9.915 -4.347 1.00 0.00 C ATOM 1250 O ILE B 105 -8.932 -9.810 -4.776 1.00 0.00 O ATOM 1251 CB ILE B 105 -10.054 -8.252 -2.447 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.084 -7.581 -3.424 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -9.476 -8.256 -1.040 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -8.839 -6.126 -3.130 1.00 0.00 C ATOM 0 H ILE B 105 -8.552 -10.404 -2.111 1.00 0.00 H new ATOM 0 HA ILE B 105 -11.418 -9.860 -2.654 1.00 0.00 H new ATOM 0 HB ILE B 105 -10.980 -7.678 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -8.133 -8.113 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -9.477 -7.677 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -9.256 -7.233 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -10.198 -8.694 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -8.558 -8.844 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -8.142 -5.719 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -9.781 -5.580 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -8.416 -6.023 -2.131 1.00 0.00 H new ATOM 1266 N THR B 106 -11.081 -10.306 -5.105 1.00 0.00 N ATOM 1267 CA THR B 106 -10.864 -10.628 -6.507 1.00 0.00 C ATOM 1268 C THR B 106 -11.694 -9.769 -7.459 1.00 0.00 C ATOM 1269 O THR B 106 -12.921 -9.793 -7.417 1.00 0.00 O ATOM 1270 CB THR B 106 -11.144 -12.141 -6.720 1.00 0.00 C ATOM 1271 OG1 THR B 106 -12.216 -12.364 -7.623 1.00 0.00 O ATOM 1272 CG2 THR B 106 -11.482 -12.892 -5.440 1.00 0.00 C ATOM 0 H THR B 106 -12.043 -10.409 -4.783 1.00 0.00 H new ATOM 0 HA THR B 106 -9.826 -10.402 -6.749 1.00 0.00 H new ATOM 0 HB THR B 106 -10.205 -12.522 -7.123 1.00 0.00 H new ATOM 0 HG1 THR B 106 -12.898 -11.671 -7.499 1.00 0.00 H new ATOM 0 HG21 THR B 106 -11.664 -13.941 -5.671 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.649 -12.814 -4.741 1.00 0.00 H new ATOM 0 HG23 THR B 106 -12.375 -12.459 -4.989 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.017 -9.076 -8.386 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.703 -8.299 -9.423 1.00 0.00 C ATOM 1282 C VAL B 107 -11.703 -9.109 -10.713 1.00 0.00 C ATOM 1283 O VAL B 107 -10.680 -9.195 -11.383 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.052 -6.894 -9.677 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.939 -6.531 -11.183 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.843 -5.839 -8.942 1.00 0.00 C ATOM 0 H VAL B 107 -9.999 -9.039 -8.437 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.718 -8.108 -9.076 1.00 0.00 H new ATOM 0 HB VAL B 107 -10.031 -6.938 -9.299 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -10.481 -5.548 -11.287 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -10.324 -7.274 -11.691 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -11.933 -6.517 -11.629 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.394 -4.861 -9.116 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -12.871 -5.836 -9.305 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -11.836 -6.057 -7.874 1.00 0.00 H new ATOM 1296 N THR B 108 -12.826 -9.720 -11.071 1.00 0.00 N ATOM 1297 CA THR B 108 -12.880 -10.485 -12.305 1.00 0.00 C ATOM 1298 C THR B 108 -12.858 -9.518 -13.488 1.00 0.00 C ATOM 1299 O THR B 108 -13.902 -9.031 -13.925 1.00 0.00 O ATOM 1300 CB THR B 108 -14.104 -11.386 -12.343 1.00 0.00 C ATOM 1301 OG1 THR B 108 -15.290 -10.675 -12.055 1.00 0.00 O ATOM 1302 CG2 THR B 108 -14.022 -12.545 -11.401 1.00 0.00 C ATOM 0 H THR B 108 -13.694 -9.701 -10.535 1.00 0.00 H new ATOM 0 HA THR B 108 -12.010 -11.139 -12.363 1.00 0.00 H new ATOM 0 HB THR B 108 -14.128 -11.768 -13.364 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.309 -9.845 -12.576 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.929 -13.144 -11.482 1.00 0.00 H new ATOM 0 HG22 THR B 108 -13.158 -13.159 -11.654 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.920 -12.177 -10.380 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.657 -9.227 -13.974 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.461 -8.285 -15.082 1.00 0.00 C ATOM 1312 C VAL B 109 -11.422 -9.014 -16.436 1.00 0.00 C ATOM 1313 O VAL B 109 -12.236 -9.908 -16.632 1.00 0.00 O ATOM 1314 CB VAL B 109 -10.209 -7.390 -14.858 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -10.620 -5.957 -14.575 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -9.362 -7.917 -13.724 1.00 0.00 C ATOM 0 H VAL B 109 -10.792 -9.633 -13.617 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.322 -7.617 -15.105 1.00 0.00 H new ATOM 0 HB VAL B 109 -9.616 -7.413 -15.772 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -9.730 -5.347 -14.421 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -11.186 -5.567 -15.421 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -11.240 -5.927 -13.679 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -8.493 -7.273 -13.589 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -9.950 -7.930 -12.806 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -9.030 -8.929 -13.957 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.528 -8.611 -17.371 1.00 0.00 N ATOM 1327 CA ASP B 110 -10.431 -9.195 -18.735 1.00 0.00 C ATOM 1328 C ASP B 110 -10.679 -8.099 -19.780 1.00 0.00 C ATOM 1329 O ASP B 110 -10.727 -8.351 -20.984 1.00 0.00 O ATOM 1330 CB ASP B 110 -11.454 -10.299 -18.942 1.00 0.00 C ATOM 1331 CG ASP B 110 -11.390 -10.942 -20.317 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -10.286 -11.357 -20.728 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -12.451 -11.050 -20.977 1.00 0.00 O ATOM 0 H ASP B 110 -9.850 -7.868 -17.201 1.00 0.00 H new ATOM 0 HA ASP B 110 -9.432 -9.617 -18.846 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -11.304 -11.068 -18.184 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -12.453 -9.890 -18.788 1.00 0.00 H new ATOM 1338 N SER B 111 -10.816 -6.879 -19.290 1.00 0.00 N ATOM 1339 CA SER B 111 -11.043 -5.716 -20.133 1.00 0.00 C ATOM 1340 C SER B 111 -11.047 -4.412 -19.327 1.00 0.00 C ATOM 1341 O SER B 111 -10.777 -3.348 -19.891 1.00 0.00 O ATOM 1342 CB SER B 111 -12.370 -5.865 -20.896 1.00 0.00 C ATOM 1343 OG SER B 111 -12.987 -4.607 -21.139 1.00 0.00 O ATOM 0 H SER B 111 -10.773 -6.666 -18.294 1.00 0.00 H new ATOM 0 HA SER B 111 -10.217 -5.662 -20.842 1.00 0.00 H new ATOM 0 HB2 SER B 111 -12.188 -6.369 -21.845 1.00 0.00 H new ATOM 0 HB3 SER B 111 -13.049 -6.498 -20.324 1.00 0.00 H new ATOM 0 HG SER B 111 -13.826 -4.743 -21.627 1.00 0.00 H new ATOM 1349 N ASP B 112 -11.400 -4.469 -18.031 1.00 0.00 N ATOM 1350 CA ASP B 112 -11.490 -3.266 -17.220 1.00 0.00 C ATOM 1351 C ASP B 112 -10.117 -2.628 -16.896 1.00 0.00 C ATOM 1352 O ASP B 112 -9.895 -2.161 -15.787 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.279 -3.598 -15.942 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.320 -4.692 -16.151 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -12.921 -5.861 -16.361 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.527 -4.384 -16.110 1.00 0.00 O ATOM 0 H ASP B 112 -11.624 -5.332 -17.536 1.00 0.00 H new ATOM 0 HA ASP B 112 -12.014 -2.507 -17.800 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.583 -3.910 -15.163 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -12.775 -2.696 -15.583 1.00 0.00 H new ATOM 1361 N SER B 113 -9.209 -2.578 -17.881 1.00 0.00 N ATOM 1362 CA SER B 113 -7.881 -1.957 -17.712 1.00 0.00 C ATOM 1363 C SER B 113 -6.994 -2.635 -16.658 1.00 0.00 C ATOM 1364 O SER B 113 -5.854 -2.212 -16.450 1.00 0.00 O ATOM 1365 CB SER B 113 -8.051 -0.483 -17.347 1.00 0.00 C ATOM 1366 OG SER B 113 -8.094 0.327 -18.511 1.00 0.00 O ATOM 0 H SER B 113 -9.369 -2.963 -18.812 1.00 0.00 H new ATOM 0 HA SER B 113 -7.370 -2.077 -18.667 1.00 0.00 H new ATOM 0 HB2 SER B 113 -8.968 -0.350 -16.773 1.00 0.00 H new ATOM 0 HB3 SER B 113 -7.227 -0.165 -16.709 1.00 0.00 H new ATOM 0 HG SER B 113 -8.988 0.717 -18.606 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.498 -3.682 -16.014 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.732 -4.398 -14.995 1.00 0.00 C ATOM 1374 C TYR B 114 -5.410 -4.931 -15.546 1.00 0.00 C ATOM 1375 O TYR B 114 -4.351 -4.727 -14.949 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.551 -5.551 -14.433 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.767 -6.832 -14.308 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.915 -7.042 -13.238 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.878 -7.820 -15.272 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -5.191 -8.208 -13.128 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -6.165 -8.989 -15.175 1.00 0.00 C ATOM 1382 CZ TYR B 114 -5.321 -9.185 -14.105 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.607 -10.356 -14.012 1.00 0.00 O ATOM 0 H TYR B 114 -8.433 -4.055 -16.178 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.505 -3.687 -14.201 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -7.935 -5.271 -13.452 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.414 -5.722 -15.076 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -5.817 -6.281 -12.478 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -7.537 -7.668 -16.114 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.528 -8.361 -12.289 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -6.266 -9.751 -15.934 1.00 0.00 H new ATOM 0 HH TYR B 114 -4.818 -10.929 -14.778 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.493 -5.655 -16.662 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.312 -6.272 -17.269 1.00 0.00 C ATOM 1395 C GLN B 115 -3.143 -5.290 -17.421 1.00 0.00 C ATOM 1396 O GLN B 115 -2.001 -5.688 -17.245 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.646 -6.872 -18.648 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.108 -7.265 -18.842 1.00 0.00 C ATOM 1399 CD GLN B 115 -6.970 -6.101 -19.295 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -7.609 -5.438 -18.482 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -6.987 -5.843 -20.594 1.00 0.00 N ATOM 0 H GLN B 115 -6.364 -5.829 -17.164 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.004 -7.064 -16.586 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.374 -6.150 -19.418 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.024 -7.754 -18.804 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -6.170 -8.067 -19.578 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.501 -7.661 -17.906 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -6.441 -6.419 -21.235 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -7.546 -5.069 -20.953 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.423 -4.022 -17.740 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.359 -3.014 -17.913 1.00 0.00 C ATOM 1412 C LEU B 116 -1.487 -2.851 -16.659 1.00 0.00 C ATOM 1413 O LEU B 116 -0.265 -2.979 -16.724 1.00 0.00 O ATOM 1414 CB LEU B 116 -2.966 -1.654 -18.286 1.00 0.00 C ATOM 1415 CG LEU B 116 -2.537 -1.096 -19.647 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -3.574 -0.118 -20.177 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.177 -0.424 -19.543 1.00 0.00 C ATOM 0 H LEU B 116 -4.368 -3.666 -17.884 1.00 0.00 H new ATOM 0 HA LEU B 116 -1.719 -3.374 -18.719 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.052 -1.744 -18.275 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -2.698 -0.932 -17.515 1.00 0.00 H new ATOM 0 HG LEU B 116 -2.459 -1.927 -20.348 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -3.250 0.267 -21.144 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.530 -0.628 -20.291 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -3.685 0.709 -19.476 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -0.888 -0.034 -20.519 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.230 0.395 -18.826 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -0.436 -1.151 -19.210 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.128 -2.540 -15.533 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.393 -2.328 -14.274 1.00 0.00 C ATOM 1431 C LEU B 117 -0.398 -3.448 -14.011 1.00 0.00 C ATOM 1432 O LEU B 117 0.781 -3.209 -13.754 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.329 -2.236 -13.083 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.378 -0.871 -12.407 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -1.129 -0.662 -11.571 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -2.515 0.229 -13.444 1.00 0.00 C ATOM 0 H LEU B 117 -3.139 -2.429 -15.460 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.861 -1.384 -14.393 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.335 -2.500 -13.409 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.028 -2.980 -12.345 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.248 -0.833 -11.752 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.172 0.316 -11.091 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.068 -1.438 -10.808 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -0.249 -0.713 -12.212 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.549 1.197 -12.945 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.661 0.199 -14.121 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.434 0.081 -14.012 1.00 0.00 H new ATOM 1448 N LYS B 118 -0.888 -4.670 -14.078 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.059 -5.841 -13.848 1.00 0.00 C ATOM 1450 C LYS B 118 0.814 -6.134 -15.059 1.00 0.00 C ATOM 1451 O LYS B 118 1.902 -6.697 -14.937 1.00 0.00 O ATOM 1452 CB LYS B 118 -0.937 -7.033 -13.511 1.00 0.00 C ATOM 1453 CG LYS B 118 -1.929 -7.348 -14.604 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.177 -8.842 -14.688 1.00 0.00 C ATOM 1455 CE LYS B 118 -2.572 -9.274 -16.087 1.00 0.00 C ATOM 1456 NZ LYS B 118 -2.090 -10.652 -16.390 1.00 0.00 N ATOM 0 H LYS B 118 -1.863 -4.881 -14.291 1.00 0.00 H new ATOM 0 HA LYS B 118 0.603 -5.643 -13.005 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.308 -7.905 -13.334 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.474 -6.834 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -2.868 -6.829 -14.411 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -1.553 -6.982 -15.560 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.277 -9.377 -14.384 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -2.964 -9.119 -13.987 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.657 -9.236 -16.188 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -2.160 -8.575 -16.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -2.377 -10.916 -17.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -1.053 -10.681 -16.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -2.503 -11.322 -15.710 1.00 0.00 H new ATOM 1470 N ALA B 119 0.335 -5.713 -16.221 1.00 0.00 N ATOM 1471 CA ALA B 119 1.067 -5.883 -17.468 1.00 0.00 C ATOM 1472 C ALA B 119 2.365 -5.095 -17.416 1.00 0.00 C ATOM 1473 O ALA B 119 3.337 -5.444 -18.085 1.00 0.00 O ATOM 1474 CB ALA B 119 0.232 -5.445 -18.664 1.00 0.00 C ATOM 0 H ALA B 119 -0.566 -5.247 -16.326 1.00 0.00 H new ATOM 0 HA ALA B 119 1.293 -6.942 -17.589 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.807 -5.584 -19.580 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.677 -6.044 -18.712 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.032 -4.393 -18.558 1.00 0.00 H new ATOM 1480 N TYR B 120 2.384 -4.037 -16.596 1.00 0.00 N ATOM 1481 CA TYR B 120 3.576 -3.240 -16.453 1.00 0.00 C ATOM 1482 C TYR B 120 4.462 -3.827 -15.358 1.00 0.00 C ATOM 1483 O TYR B 120 5.666 -3.942 -15.576 1.00 0.00 O ATOM 1484 CB TYR B 120 3.253 -1.738 -16.259 1.00 0.00 C ATOM 1485 CG TYR B 120 2.850 -1.269 -14.871 1.00 0.00 C ATOM 1486 CD1 TYR B 120 3.608 -1.558 -13.741 1.00 0.00 C ATOM 1487 CD2 TYR B 120 1.703 -0.498 -14.704 1.00 0.00 C ATOM 1488 CE1 TYR B 120 3.229 -1.102 -12.492 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.323 -0.042 -13.463 1.00 0.00 C ATOM 1490 CZ TYR B 120 2.086 -0.348 -12.360 1.00 0.00 C ATOM 1491 OH TYR B 120 1.708 0.106 -11.121 1.00 0.00 O ATOM 0 H TYR B 120 1.591 -3.728 -16.034 1.00 0.00 H new ATOM 0 HA TYR B 120 4.145 -3.280 -17.382 1.00 0.00 H new ATOM 0 HB2 TYR B 120 4.129 -1.166 -16.564 1.00 0.00 H new ATOM 0 HB3 TYR B 120 2.448 -1.478 -16.946 1.00 0.00 H new ATOM 0 HD1 TYR B 120 4.507 -2.148 -13.841 1.00 0.00 H new ATOM 0 HD2 TYR B 120 1.100 -0.253 -15.566 1.00 0.00 H new ATOM 0 HE1 TYR B 120 3.827 -1.337 -11.624 1.00 0.00 H new ATOM 0 HE2 TYR B 120 0.429 0.554 -13.355 1.00 0.00 H new ATOM 0 HH TYR B 120 1.225 0.954 -11.216 1.00 0.00 H new ATOM 1501 N ASP B 121 3.873 -4.258 -14.212 1.00 0.00 N ATOM 1502 CA ASP B 121 4.678 -4.892 -13.140 1.00 0.00 C ATOM 1503 C ASP B 121 4.013 -4.842 -11.762 1.00 0.00 C ATOM 1504 O ASP B 121 4.698 -4.657 -10.753 1.00 0.00 O ATOM 1505 CB ASP B 121 6.073 -4.248 -13.038 1.00 0.00 C ATOM 1506 CG ASP B 121 7.188 -5.199 -13.434 1.00 0.00 C ATOM 1507 OD1 ASP B 121 7.111 -6.394 -13.073 1.00 0.00 O ATOM 1508 OD2 ASP B 121 8.142 -4.745 -14.097 1.00 0.00 O ATOM 0 H ASP B 121 2.876 -4.181 -14.011 1.00 0.00 H new ATOM 0 HA ASP B 121 4.763 -5.939 -13.430 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.109 -3.366 -13.678 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.238 -3.907 -12.016 1.00 0.00 H new ATOM 1513 N VAL B 122 2.693 -4.989 -11.685 1.00 0.00 N ATOM 1514 CA VAL B 122 2.043 -4.924 -10.380 1.00 0.00 C ATOM 1515 C VAL B 122 0.617 -5.497 -10.346 1.00 0.00 C ATOM 1516 O VAL B 122 -0.368 -4.807 -10.620 1.00 0.00 O ATOM 1517 CB VAL B 122 2.083 -3.463 -9.871 1.00 0.00 C ATOM 1518 CG1 VAL B 122 0.895 -2.642 -10.347 1.00 0.00 C ATOM 1519 CG2 VAL B 122 2.197 -3.422 -8.355 1.00 0.00 C ATOM 0 H VAL B 122 2.072 -5.148 -12.478 1.00 0.00 H new ATOM 0 HA VAL B 122 2.606 -5.574 -9.710 1.00 0.00 H new ATOM 0 HB VAL B 122 2.973 -3.005 -10.302 1.00 0.00 H new ATOM 0 HG11 VAL B 122 0.976 -1.626 -9.960 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.885 -2.615 -11.437 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.028 -3.095 -9.986 1.00 0.00 H new ATOM 0 HG21 VAL B 122 2.223 -2.385 -8.020 1.00 0.00 H new ATOM 0 HG22 VAL B 122 1.337 -3.925 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.112 -3.927 -8.045 1.00 0.00 H new ATOM 1529 N ASN B 123 0.505 -6.783 -10.007 1.00 0.00 N ATOM 1530 CA ASN B 123 -0.806 -7.435 -9.926 1.00 0.00 C ATOM 1531 C ASN B 123 -1.590 -6.916 -8.718 1.00 0.00 C ATOM 1532 O ASN B 123 -1.922 -7.668 -7.804 1.00 0.00 O ATOM 1533 CB ASN B 123 -0.686 -8.955 -9.847 1.00 0.00 C ATOM 1534 CG ASN B 123 0.489 -9.507 -10.636 1.00 0.00 C ATOM 1535 OD1 ASN B 123 1.628 -9.086 -10.449 1.00 0.00 O ATOM 1536 ND2 ASN B 123 0.219 -10.457 -11.517 1.00 0.00 N ATOM 0 H ASN B 123 1.296 -7.389 -9.786 1.00 0.00 H new ATOM 0 HA ASN B 123 -1.343 -7.188 -10.842 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -0.584 -9.251 -8.803 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -1.607 -9.405 -10.218 1.00 0.00 H new ATOM 0 HD21 ASN B 123 0.971 -10.867 -12.071 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -0.741 -10.779 -11.642 1.00 0.00 H new ATOM 1543 N ILE B 124 -1.856 -5.614 -8.758 1.00 0.00 N ATOM 1544 CA ILE B 124 -2.586 -4.831 -7.768 1.00 0.00 C ATOM 1545 C ILE B 124 -2.367 -5.120 -6.276 1.00 0.00 C ATOM 1546 O ILE B 124 -2.895 -4.371 -5.453 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.077 -4.796 -8.062 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.455 -5.832 -9.092 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.485 -3.417 -8.515 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.417 -7.195 -8.502 1.00 0.00 C ATOM 0 H ILE B 124 -1.544 -5.038 -9.540 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.118 -3.857 -7.906 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.612 -5.035 -7.143 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -5.454 -5.624 -9.475 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -3.771 -5.777 -9.939 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -5.555 -3.404 -8.723 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.259 -2.695 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -3.937 -3.154 -9.420 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.693 -7.928 -9.261 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.411 -7.407 -8.141 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -5.120 -7.251 -7.671 1.00 0.00 H new ATOM 1562 N SER B 125 -1.649 -6.176 -5.909 1.00 0.00 N ATOM 1563 CA SER B 125 -1.453 -6.502 -4.493 1.00 0.00 C ATOM 1564 C SER B 125 -1.258 -5.223 -3.655 1.00 0.00 C ATOM 1565 O SER B 125 -2.085 -4.908 -2.785 1.00 0.00 O ATOM 1566 CB SER B 125 -0.262 -7.458 -4.335 1.00 0.00 C ATOM 1567 OG SER B 125 0.788 -6.892 -3.570 1.00 0.00 O ATOM 0 H SER B 125 -1.196 -6.817 -6.561 1.00 0.00 H new ATOM 0 HA SER B 125 -2.348 -7.002 -4.121 1.00 0.00 H new ATOM 0 HB2 SER B 125 -0.599 -8.379 -3.859 1.00 0.00 H new ATOM 0 HB3 SER B 125 0.116 -7.729 -5.321 1.00 0.00 H new ATOM 0 HG SER B 125 1.522 -7.537 -3.495 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.191 -4.475 -3.937 1.00 0.00 N ATOM 1574 CA GLY B 126 0.060 -3.232 -3.217 1.00 0.00 C ATOM 1575 C GLY B 126 -0.681 -2.048 -3.825 1.00 0.00 C ATOM 1576 O GLY B 126 -1.048 -1.107 -3.117 1.00 0.00 O ATOM 0 H GLY B 126 0.503 -4.705 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.242 -3.351 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY B 126 1.130 -3.026 -3.216 1.00 0.00 H new ATOM 1580 N LEU B 127 -0.900 -2.097 -5.144 1.00 0.00 N ATOM 1581 CA LEU B 127 -1.590 -1.044 -5.861 1.00 0.00 C ATOM 1582 C LEU B 127 -3.014 -0.859 -5.346 1.00 0.00 C ATOM 1583 O LEU B 127 -3.359 0.213 -4.849 1.00 0.00 O ATOM 1584 CB LEU B 127 -1.619 -1.395 -7.348 1.00 0.00 C ATOM 1585 CG LEU B 127 -1.906 -0.248 -8.309 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.163 -0.560 -9.097 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -2.044 1.064 -7.563 1.00 0.00 C ATOM 0 H LEU B 127 -0.600 -2.872 -5.735 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.056 -0.107 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -0.657 -1.832 -7.615 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -2.373 -2.167 -7.502 1.00 0.00 H new ATOM 0 HG LEU B 127 -1.069 -0.142 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -3.373 0.258 -9.786 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -3.020 -1.482 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.002 -0.681 -8.411 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -2.248 1.866 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -2.865 0.992 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -1.118 1.279 -7.030 1.00 0.00 H new ATOM 1599 N VAL B 128 -3.837 -1.906 -5.463 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.217 -1.835 -5.003 1.00 0.00 C ATOM 1601 C VAL B 128 -5.280 -1.418 -3.534 1.00 0.00 C ATOM 1602 O VAL B 128 -5.879 -0.397 -3.197 1.00 0.00 O ATOM 1603 CB VAL B 128 -5.931 -3.184 -5.230 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -7.013 -3.450 -4.194 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.518 -3.211 -6.624 1.00 0.00 C ATOM 0 H VAL B 128 -3.570 -2.803 -5.869 1.00 0.00 H new ATOM 0 HA VAL B 128 -5.736 -1.074 -5.586 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.191 -3.977 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.484 -4.411 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.568 -3.469 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.763 -2.661 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.023 -4.163 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.234 -2.397 -6.733 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -5.720 -3.093 -7.357 1.00 0.00 H new ATOM 1615 N SER B 129 -4.631 -2.198 -2.678 1.00 0.00 N ATOM 1616 CA SER B 129 -4.581 -1.920 -1.249 1.00 0.00 C ATOM 1617 C SER B 129 -4.162 -0.477 -0.955 1.00 0.00 C ATOM 1618 O SER B 129 -4.740 0.169 -0.084 1.00 0.00 O ATOM 1619 CB SER B 129 -3.603 -2.878 -0.584 1.00 0.00 C ATOM 1620 OG SER B 129 -2.382 -2.943 -1.306 1.00 0.00 O ATOM 0 H SER B 129 -4.126 -3.040 -2.955 1.00 0.00 H new ATOM 0 HA SER B 129 -5.585 -2.059 -0.848 1.00 0.00 H new ATOM 0 HB2 SER B 129 -3.408 -2.553 0.438 1.00 0.00 H new ATOM 0 HB3 SER B 129 -4.047 -3.872 -0.523 1.00 0.00 H new ATOM 0 HG SER B 129 -2.268 -3.844 -1.675 1.00 0.00 H new ATOM 1626 N THR B 130 -3.173 0.034 -1.693 1.00 0.00 N ATOM 1627 CA THR B 130 -2.710 1.404 -1.503 1.00 0.00 C ATOM 1628 C THR B 130 -3.724 2.362 -2.082 1.00 0.00 C ATOM 1629 O THR B 130 -4.181 3.285 -1.408 1.00 0.00 O ATOM 1630 CB THR B 130 -1.349 1.623 -2.173 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.305 1.141 -1.352 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.053 3.077 -2.479 1.00 0.00 C ATOM 0 H THR B 130 -2.682 -0.481 -2.424 1.00 0.00 H new ATOM 0 HA THR B 130 -2.597 1.586 -0.434 1.00 0.00 H new ATOM 0 HB THR B 130 -1.402 1.075 -3.114 1.00 0.00 H new ATOM 0 HG1 THR B 130 -0.123 0.203 -1.571 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.074 3.157 -2.952 1.00 0.00 H new ATOM 0 HG22 THR B 130 -1.815 3.469 -3.153 1.00 0.00 H new ATOM 0 HG23 THR B 130 -1.057 3.652 -1.553 1.00 0.00 H new ATOM 1640 N THR B 131 -4.078 2.135 -3.344 1.00 0.00 N ATOM 1641 CA THR B 131 -5.042 2.981 -4.014 1.00 0.00 C ATOM 1642 C THR B 131 -6.305 3.106 -3.173 1.00 0.00 C ATOM 1643 O THR B 131 -6.840 4.205 -2.997 1.00 0.00 O ATOM 1644 CB THR B 131 -5.361 2.449 -5.417 1.00 0.00 C ATOM 1645 OG1 THR B 131 -4.806 3.300 -6.401 1.00 0.00 O ATOM 1646 CG2 THR B 131 -6.840 2.325 -5.708 1.00 0.00 C ATOM 0 H THR B 131 -3.710 1.374 -3.915 1.00 0.00 H new ATOM 0 HA THR B 131 -4.608 3.974 -4.132 1.00 0.00 H new ATOM 0 HB THR B 131 -4.926 1.450 -5.448 1.00 0.00 H new ATOM 0 HG1 THR B 131 -5.522 3.652 -6.971 1.00 0.00 H new ATOM 0 HG21 THR B 131 -6.981 1.943 -6.719 1.00 0.00 H new ATOM 0 HG22 THR B 131 -7.295 1.639 -4.994 1.00 0.00 H new ATOM 0 HG23 THR B 131 -7.311 3.304 -5.621 1.00 0.00 H new ATOM 1654 N MET B 132 -6.764 1.976 -2.634 1.00 0.00 N ATOM 1655 CA MET B 132 -7.946 1.960 -1.790 1.00 0.00 C ATOM 1656 C MET B 132 -7.859 3.038 -0.711 1.00 0.00 C ATOM 1657 O MET B 132 -8.843 3.705 -0.431 1.00 0.00 O ATOM 1658 CB MET B 132 -8.125 0.580 -1.166 1.00 0.00 C ATOM 1659 CG MET B 132 -8.632 -0.453 -2.155 1.00 0.00 C ATOM 1660 SD MET B 132 -9.493 -1.803 -1.351 1.00 0.00 S ATOM 1661 CE MET B 132 -9.932 -2.793 -2.757 1.00 0.00 C ATOM 0 H MET B 132 -6.331 1.063 -2.770 1.00 0.00 H new ATOM 0 HA MET B 132 -8.817 2.178 -2.408 1.00 0.00 H new ATOM 0 HB2 MET B 132 -7.172 0.246 -0.756 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.824 0.651 -0.332 1.00 0.00 H new ATOM 0 HG2 MET B 132 -9.302 0.028 -2.868 1.00 0.00 H new ATOM 0 HG3 MET B 132 -7.792 -0.850 -2.725 1.00 0.00 H new ATOM 0 HE1 MET B 132 -10.859 -3.328 -2.550 1.00 0.00 H new ATOM 0 HE2 MET B 132 -10.071 -2.150 -3.626 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.136 -3.510 -2.960 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.678 3.221 -0.118 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.499 4.245 0.916 1.00 0.00 C ATOM 1673 C GLN B 133 -6.812 5.637 0.361 1.00 0.00 C ATOM 1674 O GLN B 133 -7.499 6.428 1.007 1.00 0.00 O ATOM 1675 CB GLN B 133 -5.075 4.232 1.476 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.553 2.850 1.842 1.00 0.00 C ATOM 1677 CD GLN B 133 -3.045 2.819 1.975 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -2.331 3.516 1.257 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -2.546 2.011 2.894 1.00 0.00 N ATOM 0 H GLN B 133 -5.839 2.681 -0.332 1.00 0.00 H new ATOM 0 HA GLN B 133 -7.194 4.012 1.723 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.405 4.676 0.740 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -5.041 4.866 2.362 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -5.004 2.531 2.781 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.863 2.134 1.080 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -3.170 1.448 3.471 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -1.536 1.951 3.026 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.322 5.924 -0.846 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.580 7.216 -1.485 1.00 0.00 C ATOM 1690 C ASN B 134 -8.070 7.338 -1.788 1.00 0.00 C ATOM 1691 O ASN B 134 -8.711 8.325 -1.409 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.701 7.378 -2.747 1.00 0.00 C ATOM 1693 CG ASN B 134 -6.446 7.194 -4.056 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -7.359 7.944 -4.381 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -6.045 6.195 -4.823 1.00 0.00 N ATOM 0 H ASN B 134 -5.749 5.285 -1.397 1.00 0.00 H new ATOM 0 HA ASN B 134 -6.309 8.029 -0.811 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -5.250 8.370 -2.736 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -4.885 6.656 -2.702 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -6.500 6.027 -5.721 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -5.281 5.592 -4.517 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.625 6.305 -2.421 1.00 0.00 N ATOM 1703 CA GLU B 135 -10.052 6.273 -2.719 1.00 0.00 C ATOM 1704 C GLU B 135 -10.837 6.334 -1.409 1.00 0.00 C ATOM 1705 O GLU B 135 -11.875 6.991 -1.323 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.399 5.003 -3.513 1.00 0.00 C ATOM 1707 CG GLU B 135 -11.808 4.460 -3.265 1.00 0.00 C ATOM 1708 CD GLU B 135 -12.870 5.095 -4.146 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -12.557 5.438 -5.303 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -14.023 5.231 -3.677 1.00 0.00 O ATOM 0 H GLU B 135 -8.109 5.483 -2.735 1.00 0.00 H new ATOM 0 HA GLU B 135 -10.321 7.133 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -10.287 5.214 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -9.676 4.226 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -11.807 3.383 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -12.071 4.621 -2.220 1.00 0.00 H new ATOM 1717 N ALA B 136 -10.308 5.660 -0.379 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.918 5.635 0.942 1.00 0.00 C ATOM 1719 C ALA B 136 -10.857 7.010 1.595 1.00 0.00 C ATOM 1720 O ALA B 136 -11.869 7.536 2.055 1.00 0.00 O ATOM 1721 CB ALA B 136 -10.233 4.596 1.815 1.00 0.00 C ATOM 0 H ALA B 136 -9.446 5.119 -0.446 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.968 5.362 0.832 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.697 4.586 2.801 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -10.333 3.612 1.357 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -9.176 4.844 1.914 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.669 7.611 1.597 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.496 8.949 2.150 1.00 0.00 C ATOM 1729 C ARG B 137 -10.515 9.870 1.542 1.00 0.00 C ATOM 1730 O ARG B 137 -11.194 10.635 2.228 1.00 0.00 O ATOM 1731 CB ARG B 137 -8.139 9.500 1.793 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.259 9.754 2.987 1.00 0.00 C ATOM 1733 CD ARG B 137 -5.801 9.691 2.596 1.00 0.00 C ATOM 1734 NE ARG B 137 -5.019 10.776 3.197 1.00 0.00 N ATOM 1735 CZ ARG B 137 -4.930 11.014 4.507 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -5.571 10.261 5.384 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -4.189 12.017 4.936 1.00 0.00 N ATOM 0 H ARG B 137 -8.817 7.194 1.223 1.00 0.00 H new ATOM 0 HA ARG B 137 -9.605 8.884 3.233 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.637 8.801 1.124 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -8.268 10.432 1.242 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.485 10.732 3.411 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -7.466 9.015 3.762 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -5.385 8.732 2.904 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -5.715 9.742 1.511 1.00 0.00 H new ATOM 0 HE ARG B 137 -4.506 11.394 2.568 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -6.146 9.482 5.063 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -5.490 10.459 6.381 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -3.689 12.604 4.268 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -4.116 12.206 5.936 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.589 9.783 0.222 1.00 0.00 N ATOM 1752 CA ARG B 138 -11.504 10.605 -0.543 1.00 0.00 C ATOM 1753 C ARG B 138 -12.944 10.512 -0.002 1.00 0.00 C ATOM 1754 O ARG B 138 -13.713 11.475 -0.133 1.00 0.00 O ATOM 1755 CB ARG B 138 -11.463 10.217 -2.020 1.00 0.00 C ATOM 1756 CG ARG B 138 -12.291 11.135 -2.900 1.00 0.00 C ATOM 1757 CD ARG B 138 -11.909 12.596 -2.715 1.00 0.00 C ATOM 1758 NE ARG B 138 -12.743 13.245 -1.699 1.00 0.00 N ATOM 1759 CZ ARG B 138 -12.817 14.558 -1.514 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -12.100 15.382 -2.253 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -13.611 15.044 -0.579 1.00 0.00 N ATOM 0 H ARG B 138 -10.022 9.148 -0.340 1.00 0.00 H new ATOM 0 HA ARG B 138 -11.180 11.641 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -10.429 10.229 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -11.824 9.194 -2.131 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -12.157 10.854 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -13.348 11.004 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -10.861 12.665 -2.425 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -12.013 13.123 -3.663 1.00 0.00 H new ATOM 0 HE ARG B 138 -13.305 12.647 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -11.481 15.012 -2.975 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -12.164 16.389 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -14.165 14.412 -0.001 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -13.671 16.052 -0.434 1.00 0.00 H new