USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 923 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 26 GLN :FLIP amide:sc= -1.1 F(o=-15!,f=-2.2) USER MOD Set 1.2: B 55 GLN :FLIP amide:sc= -1.13 F(o=-3.8!,f=-2.2) USER MOD Set 2.1: B 21 ASN : amide:sc= -1.43! C(o=-7.9!,f=-14!) USER MOD Set 2.2: B 52 ASN :FLIP amide:sc= -6.51! C(o=-12!,f=-7.9!) USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= -1.42 F(o=-11,f=-10) USER MOD Set 3.2: A 52 ASN : amide:sc= -8.95! C(o=-10!,f=-18!) USER MOD Set 4.1: A 26 GLN :FLIP amide:sc= -0.227 F(o=-7.8!,f=-2.1) USER MOD Set 4.2: A 55 GLN :FLIP amide:sc= -1.89! C(o=-5.9!,f=-2.1!) USER MOD Set 5.1: A 13 THR OG1 : rot -137:sc= -1.45! USER MOD Set 5.2: B 17 MET CE :methyl -132:sc= -13.2! (180deg=-12.9!) USER MOD Single : A 1 VAL N :NH3+ -145:sc= -0.0715 (180deg=-0.772) USER MOD Single : A 3 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.43) USER MOD Single : A 4 LYS NZ :NH3+ -136:sc= -0.566 (180deg=-2.54!) USER MOD Single : A 6 ASN : amide:sc= -4.16! C(o=-4.2!,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -1.53 (180deg=-2.04!) USER MOD Single : A 18 ASN :FLIP amide:sc= -2.89 F(o=-4.1,f=-2.9) USER MOD Single : A 23 ASN : amide:sc= -0.862 K(o=-0.86,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= -0.84 (180deg=-0.93) USER MOD Single : A 33 SER OG : rot 75:sc= 0.73 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 41 SER OG : rot -94:sc= 0.761 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= -1.36 (180deg=-1.39) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0757 (180deg=-0.545) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= 0.252 (180deg=-0.47) USER MOD Single : B 1 VAL N :NH3+ 173:sc= -0.443 (180deg=-0.495) USER MOD Single : B 3 ASN : amide:sc= -1.64 K(o=-1.6,f=-8.5!) USER MOD Single : B 4 LYS NZ :NH3+ -144:sc= 1.18 (180deg=0.619) USER MOD Single : B 6 ASN :FLIP amide:sc= -0.399 F(o=-7.8!,f=-0.4) USER MOD Single : B 7 LYS NZ :NH3+ 155:sc= 0.106 (180deg=-0.798) USER MOD Single : B 23 ASN : amide:sc= -8.25! C(o=-8.3!,f=-16!) USER MOD Single : B 24 SER OG : rot 165:sc= 0.661 USER MOD Single : B 32 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.56) USER MOD Single : B 33 SER OG : rot 88:sc= 0.159 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.0479 F(o=-1.1,f=-0.048) USER MOD Single : B 41 SER OG : rot 146:sc= -1.67 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0521 F(o=-0.7,f=-0.052) USER MOD Single : B 49 LYS NZ :NH3+ -144:sc=-0.00634 (180deg=-0.132) USER MOD Single : B 50 LYS NZ :NH3+ 158:sc= -0.295 (180deg=-0.84) USER MOD Single : B 58 LYS NZ :NH3+ -155:sc= -0.209 (180deg=-1.76!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 9.114 -17.583 2.687 1.00 0.00 N ATOM 2 CA VAL A 1 9.353 -16.489 3.672 1.00 0.00 C ATOM 3 C VAL A 1 8.007 -15.938 4.142 1.00 0.00 C ATOM 4 O VAL A 1 7.084 -15.768 3.342 1.00 0.00 O ATOM 5 CB VAL A 1 10.186 -15.375 3.012 1.00 0.00 C ATOM 6 CG1 VAL A 1 10.556 -14.308 4.053 1.00 0.00 C ATOM 7 CG2 VAL A 1 11.472 -15.971 2.420 1.00 0.00 C ATOM 0 H1 VAL A 1 9.843 -18.316 2.798 1.00 0.00 H new ATOM 0 H2 VAL A 1 8.176 -18.000 2.852 1.00 0.00 H new ATOM 0 H3 VAL A 1 9.156 -17.197 1.722 1.00 0.00 H new ATOM 0 HA VAL A 1 9.902 -16.874 4.531 1.00 0.00 H new ATOM 0 HB VAL A 1 9.595 -14.917 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 1 11.145 -13.524 3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 1 9.646 -13.876 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 1 11.139 -14.766 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 1 12.059 -15.180 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 1 12.056 -16.436 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 1 11.215 -16.721 1.672 1.00 0.00 H new ATOM 19 N ASP A 2 7.907 -15.667 5.445 1.00 0.00 N ATOM 20 CA ASP A 2 6.675 -15.137 6.034 1.00 0.00 C ATOM 21 C ASP A 2 6.298 -13.799 5.397 1.00 0.00 C ATOM 22 O ASP A 2 5.117 -13.515 5.183 1.00 0.00 O ATOM 23 CB ASP A 2 6.864 -14.949 7.542 1.00 0.00 C ATOM 24 CG ASP A 2 7.213 -16.286 8.195 1.00 0.00 C ATOM 25 OD1 ASP A 2 6.315 -17.093 8.372 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.378 -16.489 8.499 1.00 0.00 O ATOM 0 H ASP A 2 8.665 -15.806 6.113 1.00 0.00 H new ATOM 0 HA ASP A 2 5.871 -15.849 5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.657 -14.225 7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.953 -14.546 7.984 1.00 0.00 H new ATOM 31 N ASN A 3 7.317 -12.987 5.104 1.00 0.00 N ATOM 32 CA ASN A 3 7.118 -11.671 4.492 1.00 0.00 C ATOM 33 C ASN A 3 6.205 -10.799 5.360 1.00 0.00 C ATOM 34 O ASN A 3 5.331 -10.093 4.852 1.00 0.00 O ATOM 35 CB ASN A 3 6.532 -11.818 3.074 1.00 0.00 C ATOM 36 CG ASN A 3 7.460 -12.662 2.201 1.00 0.00 C ATOM 37 OD1 ASN A 3 8.669 -12.435 2.177 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.962 -13.625 1.478 1.00 0.00 N ATOM 0 H ASN A 3 8.294 -13.220 5.282 1.00 0.00 H new ATOM 0 HA ASN A 3 8.089 -11.181 4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.548 -12.284 3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.395 -10.834 2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.575 -14.192 0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.960 -13.812 1.499 1.00 0.00 H new ATOM 45 N LYS A 4 6.423 -10.851 6.676 1.00 0.00 N ATOM 46 CA LYS A 4 5.623 -10.055 7.607 1.00 0.00 C ATOM 47 C LYS A 4 5.770 -8.572 7.273 1.00 0.00 C ATOM 48 O LYS A 4 4.789 -7.830 7.254 1.00 0.00 O ATOM 49 CB LYS A 4 6.079 -10.308 9.047 1.00 0.00 C ATOM 50 CG LYS A 4 5.060 -9.695 10.012 1.00 0.00 C ATOM 51 CD LYS A 4 5.554 -9.833 11.454 1.00 0.00 C ATOM 52 CE LYS A 4 4.482 -9.300 12.406 1.00 0.00 C ATOM 53 NZ LYS A 4 4.578 -7.814 12.484 1.00 0.00 N ATOM 0 H LYS A 4 7.139 -11.429 7.116 1.00 0.00 H new ATOM 0 HA LYS A 4 4.577 -10.346 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.172 -11.379 9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.063 -9.870 9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.906 -8.643 9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.096 -10.192 9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.770 -10.877 11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.483 -9.279 11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.492 -9.593 12.056 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.612 -9.736 13.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.495 -7.512 13.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.495 -7.505 12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.811 -7.387 11.927 1.00 0.00 H new ATOM 67 N PHE A 5 7.010 -8.162 6.992 1.00 0.00 N ATOM 68 CA PHE A 5 7.308 -6.783 6.639 1.00 0.00 C ATOM 69 C PHE A 5 6.487 -6.366 5.418 1.00 0.00 C ATOM 70 O PHE A 5 5.994 -5.248 5.358 1.00 0.00 O ATOM 71 CB PHE A 5 8.817 -6.618 6.366 1.00 0.00 C ATOM 72 CG PHE A 5 9.157 -7.061 4.955 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.252 -8.425 4.647 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.363 -6.101 3.953 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.555 -8.829 3.341 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.664 -6.507 2.648 1.00 0.00 C ATOM 77 CZ PHE A 5 9.761 -7.869 2.342 1.00 0.00 C ATOM 0 H PHE A 5 7.825 -8.775 7.004 1.00 0.00 H new ATOM 0 HA PHE A 5 7.039 -6.136 7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.105 -5.576 6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.388 -7.205 7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.091 -9.165 5.417 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.289 -5.050 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.630 -9.880 3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.822 -5.768 1.876 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.995 -8.180 1.335 1.00 0.00 H new ATOM 87 N ASN A 6 6.341 -7.287 4.455 1.00 0.00 N ATOM 88 CA ASN A 6 5.565 -7.016 3.252 1.00 0.00 C ATOM 89 C ASN A 6 4.108 -6.789 3.611 1.00 0.00 C ATOM 90 O ASN A 6 3.473 -5.855 3.126 1.00 0.00 O ATOM 91 CB ASN A 6 5.648 -8.213 2.307 1.00 0.00 C ATOM 92 CG ASN A 6 4.904 -7.927 1.014 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.821 -6.785 0.592 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.333 -8.909 0.377 1.00 0.00 N ATOM 0 H ASN A 6 6.751 -8.220 4.492 1.00 0.00 H new ATOM 0 HA ASN A 6 5.970 -6.126 2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.692 -8.440 2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.224 -9.094 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.812 -8.726 -0.481 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.407 -9.861 0.736 1.00 0.00 H new ATOM 101 N LYS A 7 3.598 -7.656 4.479 1.00 0.00 N ATOM 102 CA LYS A 7 2.226 -7.559 4.922 1.00 0.00 C ATOM 103 C LYS A 7 2.052 -6.230 5.630 1.00 0.00 C ATOM 104 O LYS A 7 1.056 -5.540 5.445 1.00 0.00 O ATOM 105 CB LYS A 7 1.908 -8.731 5.862 1.00 0.00 C ATOM 106 CG LYS A 7 0.394 -8.963 5.919 1.00 0.00 C ATOM 107 CD LYS A 7 0.100 -10.425 6.298 1.00 0.00 C ATOM 108 CE LYS A 7 -1.230 -10.873 5.673 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.298 -10.862 6.712 1.00 0.00 N ATOM 0 H LYS A 7 4.120 -8.432 4.886 1.00 0.00 H new ATOM 0 HA LYS A 7 1.539 -7.610 4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.409 -9.634 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.290 -8.520 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.058 -8.291 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.054 -8.732 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.909 -11.069 5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.054 -10.526 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.500 -10.209 4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.127 -11.873 5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.230 -10.828 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.228 -11.723 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.182 -10.026 7.320 1.00 0.00 H new ATOM 123 N GLU A 8 3.067 -5.878 6.416 1.00 0.00 N ATOM 124 CA GLU A 8 3.077 -4.622 7.149 1.00 0.00 C ATOM 125 C GLU A 8 3.248 -3.437 6.197 1.00 0.00 C ATOM 126 O GLU A 8 2.626 -2.396 6.368 1.00 0.00 O ATOM 127 CB GLU A 8 4.208 -4.643 8.184 1.00 0.00 C ATOM 128 CG GLU A 8 3.856 -5.613 9.320 1.00 0.00 C ATOM 129 CD GLU A 8 5.038 -5.743 10.281 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.985 -6.434 9.936 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.979 -5.157 11.348 1.00 0.00 O ATOM 0 H GLU A 8 3.897 -6.453 6.560 1.00 0.00 H new ATOM 0 HA GLU A 8 2.122 -4.506 7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.141 -4.947 7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.365 -3.642 8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.978 -5.254 9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.601 -6.590 8.909 1.00 0.00 H new ATOM 138 N LEU A 9 4.079 -3.636 5.184 1.00 0.00 N ATOM 139 CA LEU A 9 4.340 -2.625 4.153 1.00 0.00 C ATOM 140 C LEU A 9 3.043 -2.295 3.434 1.00 0.00 C ATOM 141 O LEU A 9 2.753 -1.130 3.168 1.00 0.00 O ATOM 142 CB LEU A 9 5.396 -3.179 3.185 1.00 0.00 C ATOM 143 CG LEU A 9 5.598 -2.243 1.987 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.445 -1.023 2.346 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.302 -3.006 0.885 1.00 0.00 C ATOM 0 H LEU A 9 4.596 -4.504 5.048 1.00 0.00 H new ATOM 0 HA LEU A 9 4.720 -1.705 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.342 -3.310 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.089 -4.164 2.832 1.00 0.00 H new ATOM 0 HG LEU A 9 4.616 -1.894 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.561 -0.389 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.953 -0.458 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.426 -1.350 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.451 -2.351 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.269 -3.357 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.693 -3.860 0.588 1.00 0.00 H new ATOM 157 N GLY A 10 2.238 -3.316 3.164 1.00 0.00 N ATOM 158 CA GLY A 10 0.971 -3.097 2.529 1.00 0.00 C ATOM 159 C GLY A 10 0.009 -2.504 3.533 1.00 0.00 C ATOM 160 O GLY A 10 -0.816 -1.658 3.213 1.00 0.00 O ATOM 0 H GLY A 10 2.449 -4.291 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.088 -2.425 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.578 -4.037 2.141 1.00 0.00 H new ATOM 164 N TRP A 11 0.113 -2.972 4.760 1.00 0.00 N ATOM 165 CA TRP A 11 -0.772 -2.498 5.793 1.00 0.00 C ATOM 166 C TRP A 11 -0.543 -1.083 6.159 1.00 0.00 C ATOM 167 O TRP A 11 -1.494 -0.305 6.213 1.00 0.00 O ATOM 168 CB TRP A 11 -0.691 -3.367 7.019 1.00 0.00 C ATOM 169 CG TRP A 11 -2.070 -3.649 7.489 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.390 -3.803 8.773 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.324 -3.785 6.721 1.00 0.00 C ATOM 172 NE1 TRP A 11 -3.732 -4.099 8.860 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.348 -4.078 7.627 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.671 -3.702 5.342 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.653 -4.280 7.209 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -4.986 -3.897 4.922 1.00 0.00 C ATOM 177 CH2 TRP A 11 -5.982 -4.188 5.854 1.00 0.00 C ATOM 0 H TRP A 11 0.793 -3.671 5.060 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.776 -2.559 5.372 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.171 -4.297 6.790 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.119 -2.867 7.801 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.710 -3.711 9.607 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.214 -4.309 9.734 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.905 -3.485 4.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.420 -4.510 7.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.234 -3.823 3.873 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.001 -4.341 5.531 1.00 0.00 H new ATOM 188 N ALA A 12 0.690 -0.729 6.405 1.00 0.00 N ATOM 189 CA ALA A 12 0.950 0.626 6.749 1.00 0.00 C ATOM 190 C ALA A 12 0.458 1.481 5.584 1.00 0.00 C ATOM 191 O ALA A 12 -0.185 2.498 5.780 1.00 0.00 O ATOM 192 CB ALA A 12 2.436 0.834 7.018 1.00 0.00 C ATOM 0 H ALA A 12 1.502 -1.345 6.373 1.00 0.00 H new ATOM 0 HA ALA A 12 0.431 0.909 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.616 1.877 7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.750 0.194 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.006 0.581 6.124 1.00 0.00 H new ATOM 198 N THR A 13 0.697 0.989 4.360 1.00 0.00 N ATOM 199 CA THR A 13 0.219 1.661 3.157 1.00 0.00 C ATOM 200 C THR A 13 -1.288 1.841 3.222 1.00 0.00 C ATOM 201 O THR A 13 -1.792 2.923 2.957 1.00 0.00 O ATOM 202 CB THR A 13 0.591 0.805 1.937 1.00 0.00 C ATOM 203 OG1 THR A 13 1.811 1.277 1.415 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.490 0.878 0.849 1.00 0.00 C ATOM 0 H THR A 13 1.218 0.130 4.184 1.00 0.00 H new ATOM 0 HA THR A 13 0.681 2.645 3.077 1.00 0.00 H new ATOM 0 HB THR A 13 0.679 -0.235 2.252 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.759 1.306 0.437 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.194 0.261 0.000 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.436 0.514 1.251 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.608 1.911 0.522 1.00 0.00 H new ATOM 212 N TRP A 14 -1.982 0.759 3.565 1.00 0.00 N ATOM 213 CA TRP A 14 -3.438 0.756 3.642 1.00 0.00 C ATOM 214 C TRP A 14 -3.963 1.630 4.766 1.00 0.00 C ATOM 215 O TRP A 14 -4.893 2.402 4.573 1.00 0.00 O ATOM 216 CB TRP A 14 -3.904 -0.668 3.882 1.00 0.00 C ATOM 217 CG TRP A 14 -5.357 -0.787 3.577 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.342 -0.869 4.499 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.003 -0.847 2.279 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.550 -1.003 3.849 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.392 -0.996 2.483 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.528 -0.799 0.951 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.267 -1.098 1.418 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.409 -0.904 -0.109 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.765 -1.055 0.122 1.00 0.00 C ATOM 0 H TRP A 14 -1.552 -0.136 3.796 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.821 1.156 2.703 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.335 -1.356 3.256 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.717 -0.951 4.918 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.205 -0.835 5.570 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.449 -1.096 4.322 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.471 -0.680 0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.327 -1.210 1.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.037 -0.868 -1.122 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.442 -1.141 -0.715 1.00 0.00 H new ATOM 236 N GLU A 15 -3.368 1.493 5.939 1.00 0.00 N ATOM 237 CA GLU A 15 -3.792 2.269 7.090 1.00 0.00 C ATOM 238 C GLU A 15 -3.592 3.757 6.789 1.00 0.00 C ATOM 239 O GLU A 15 -4.433 4.587 7.132 1.00 0.00 O ATOM 240 CB GLU A 15 -3.004 1.808 8.319 1.00 0.00 C ATOM 241 CG GLU A 15 -3.391 0.348 8.660 1.00 0.00 C ATOM 242 CD GLU A 15 -2.388 -0.235 9.653 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.610 -0.094 10.844 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.407 -0.809 9.206 1.00 0.00 O ATOM 0 H GLU A 15 -2.593 0.854 6.118 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.850 2.115 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.934 1.876 8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.217 2.460 9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.395 0.318 9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.410 -0.254 7.752 1.00 0.00 H new ATOM 251 N ILE A 16 -2.504 4.062 6.072 1.00 0.00 N ATOM 252 CA ILE A 16 -2.217 5.432 5.635 1.00 0.00 C ATOM 253 C ILE A 16 -3.229 5.810 4.539 1.00 0.00 C ATOM 254 O ILE A 16 -3.705 6.945 4.468 1.00 0.00 O ATOM 255 CB ILE A 16 -0.769 5.500 5.080 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.240 5.233 6.209 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.471 6.880 4.472 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.657 5.034 5.632 1.00 0.00 C ATOM 0 H ILE A 16 -1.807 3.376 5.782 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.303 6.129 6.469 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.677 4.741 4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.240 6.068 6.909 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.059 4.347 6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.550 6.897 4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.166 7.075 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.586 7.647 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.358 4.846 6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.656 4.184 4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.959 5.931 5.092 1.00 0.00 H new ATOM 270 N PHE A 17 -3.554 4.814 3.706 1.00 0.00 N ATOM 271 CA PHE A 17 -4.519 4.957 2.606 1.00 0.00 C ATOM 272 C PHE A 17 -5.913 5.252 3.165 1.00 0.00 C ATOM 273 O PHE A 17 -6.690 6.007 2.579 1.00 0.00 O ATOM 274 CB PHE A 17 -4.570 3.622 1.838 1.00 0.00 C ATOM 275 CG PHE A 17 -4.781 3.799 0.351 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.688 4.064 -0.494 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.058 3.629 -0.191 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.881 4.166 -1.875 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.251 3.720 -1.570 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.162 3.989 -2.412 1.00 0.00 C ATOM 0 H PHE A 17 -3.153 3.879 3.776 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.214 5.775 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.640 3.079 2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.375 3.008 2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.700 4.189 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.897 3.427 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.045 4.380 -2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.237 3.584 -1.988 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.312 4.060 -3.479 1.00 0.00 H new ATOM 290 N ASN A 18 -6.219 4.599 4.291 1.00 0.00 N ATOM 291 CA ASN A 18 -7.520 4.721 4.949 1.00 0.00 C ATOM 292 C ASN A 18 -7.554 5.827 6.011 1.00 0.00 C ATOM 293 O ASN A 18 -8.562 5.965 6.709 1.00 0.00 O ATOM 294 CB ASN A 18 -7.880 3.380 5.614 1.00 0.00 C ATOM 295 CG ASN A 18 -8.177 2.307 4.564 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.296 2.035 3.645 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.243 1.694 4.590 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.572 3.973 4.770 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.243 4.988 4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.057 3.053 6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.748 3.512 6.259 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.935 1.905 5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.435 0.975 3.893 1.00 0.00 H new ATOM 304 N LEU A 19 -6.480 6.621 6.147 1.00 0.00 N ATOM 305 CA LEU A 19 -6.493 7.683 7.152 1.00 0.00 C ATOM 306 C LEU A 19 -7.488 8.767 6.731 1.00 0.00 C ATOM 307 O LEU A 19 -7.511 9.165 5.564 1.00 0.00 O ATOM 308 CB LEU A 19 -5.100 8.283 7.358 1.00 0.00 C ATOM 309 CG LEU A 19 -4.419 7.620 8.569 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.031 8.189 8.714 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.182 7.913 9.864 1.00 0.00 C ATOM 0 H LEU A 19 -5.625 6.550 5.595 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.802 7.253 8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.495 8.136 6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.177 9.359 7.517 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.398 6.543 8.402 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.536 7.728 9.569 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.458 7.985 7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.094 9.266 8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.677 7.431 10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.215 8.990 10.031 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.198 7.527 9.783 1.00 0.00 H new ATOM 323 N PRO A 20 -8.341 9.214 7.629 1.00 0.00 N ATOM 324 CA PRO A 20 -9.394 10.224 7.316 1.00 0.00 C ATOM 325 C PRO A 20 -8.928 11.685 7.234 1.00 0.00 C ATOM 326 O PRO A 20 -9.785 12.572 7.233 1.00 0.00 O ATOM 327 CB PRO A 20 -10.410 10.053 8.466 1.00 0.00 C ATOM 328 CG PRO A 20 -9.901 8.956 9.342 1.00 0.00 C ATOM 329 CD PRO A 20 -8.422 8.828 9.046 1.00 0.00 C ATOM 0 HA PRO A 20 -9.784 10.042 6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.513 10.980 9.030 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.397 9.807 8.075 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.068 9.189 10.394 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.421 8.021 9.136 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.824 9.484 9.679 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.063 7.812 9.210 1.00 0.00 H new ATOM 337 N ASN A 21 -7.611 11.974 7.174 1.00 0.00 N ATOM 338 CA ASN A 21 -7.209 13.399 7.112 1.00 0.00 C ATOM 339 C ASN A 21 -5.979 13.657 6.242 1.00 0.00 C ATOM 340 O ASN A 21 -5.604 14.815 6.039 1.00 0.00 O ATOM 341 CB ASN A 21 -6.966 13.955 8.522 1.00 0.00 C ATOM 342 CG ASN A 21 -8.236 13.865 9.365 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.312 12.988 10.327 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.185 14.616 9.142 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.851 11.293 7.167 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.043 13.918 6.640 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.163 13.398 9.005 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.639 14.993 8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.126 15.302 8.390 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.030 14.552 9.709 1.00 0.00 H new ATOM 351 N LEU A 22 -5.361 12.606 5.720 1.00 0.00 N ATOM 352 CA LEU A 22 -4.184 12.782 4.866 1.00 0.00 C ATOM 353 C LEU A 22 -4.599 13.144 3.450 1.00 0.00 C ATOM 354 O LEU A 22 -5.651 12.706 2.977 1.00 0.00 O ATOM 355 CB LEU A 22 -3.356 11.501 4.837 1.00 0.00 C ATOM 356 CG LEU A 22 -2.934 11.134 6.258 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.169 9.825 6.235 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.030 12.219 6.838 1.00 0.00 C ATOM 0 H LEU A 22 -5.645 11.637 5.866 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.584 13.593 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.937 10.690 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.476 11.639 4.209 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.828 11.038 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.867 9.562 7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.806 9.038 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.283 9.932 5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.737 11.945 7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.140 12.321 6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.567 13.167 6.860 1.00 0.00 H new ATOM 370 N ASN A 23 -3.758 13.927 2.768 1.00 0.00 N ATOM 371 CA ASN A 23 -4.053 14.316 1.394 1.00 0.00 C ATOM 372 C ASN A 23 -3.349 13.359 0.440 1.00 0.00 C ATOM 373 O ASN A 23 -2.462 12.606 0.851 1.00 0.00 O ATOM 374 CB ASN A 23 -3.647 15.779 1.128 1.00 0.00 C ATOM 375 CG ASN A 23 -2.129 15.954 1.089 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.397 15.222 1.744 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.613 16.898 0.353 1.00 0.00 N ATOM 0 H ASN A 23 -2.883 14.297 3.140 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.128 14.253 1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.074 16.107 0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.066 16.418 1.905 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.602 17.026 0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.221 17.509 -0.193 1.00 0.00 H new ATOM 384 N GLY A 24 -3.765 13.379 -0.821 1.00 0.00 N ATOM 385 CA GLY A 24 -3.193 12.491 -1.830 1.00 0.00 C ATOM 386 C GLY A 24 -1.667 12.495 -1.803 1.00 0.00 C ATOM 387 O GLY A 24 -1.045 11.470 -2.061 1.00 0.00 O ATOM 0 H GLY A 24 -4.496 13.999 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.555 11.476 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.538 12.796 -2.818 1.00 0.00 H new ATOM 391 N VAL A 25 -1.072 13.649 -1.498 1.00 0.00 N ATOM 392 CA VAL A 25 0.386 13.765 -1.460 1.00 0.00 C ATOM 393 C VAL A 25 0.990 13.103 -0.224 1.00 0.00 C ATOM 394 O VAL A 25 1.945 12.341 -0.352 1.00 0.00 O ATOM 395 CB VAL A 25 0.793 15.237 -1.527 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.317 15.360 -1.406 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.342 15.805 -2.876 1.00 0.00 C ATOM 0 H VAL A 25 -1.572 14.510 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 25 0.779 13.237 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 25 0.327 15.788 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.602 16.411 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.642 14.939 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.792 14.817 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.625 16.856 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.821 15.250 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.741 15.714 -2.965 1.00 0.00 H new ATOM 407 N GLN A 26 0.453 13.392 0.968 1.00 0.00 N ATOM 408 CA GLN A 26 1.000 12.795 2.179 1.00 0.00 C ATOM 409 C GLN A 26 0.881 11.282 2.129 1.00 0.00 C ATOM 410 O GLN A 26 1.839 10.577 2.433 1.00 0.00 O ATOM 411 CB GLN A 26 0.305 13.353 3.418 1.00 0.00 C ATOM 412 CG GLN A 26 1.081 14.585 3.913 1.00 0.00 C ATOM 413 CD GLN A 26 0.124 15.603 4.497 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.469 15.326 5.608 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 -0.092 16.670 3.922 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.338 14.019 1.113 1.00 0.00 H new ATOM 0 HA GLN A 26 2.058 13.052 2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.724 13.625 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.263 12.595 4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.811 14.287 4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.638 15.029 3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.382 16.881 3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.744 17.343 4.324 1.00 0.00 H new ATOM 424 N VAL A 27 -0.279 10.788 1.701 1.00 0.00 N ATOM 425 CA VAL A 27 -0.475 9.344 1.587 1.00 0.00 C ATOM 426 C VAL A 27 0.520 8.788 0.573 1.00 0.00 C ATOM 427 O VAL A 27 1.189 7.786 0.825 1.00 0.00 O ATOM 428 CB VAL A 27 -1.912 9.024 1.146 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.094 7.505 1.053 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.907 9.585 2.171 1.00 0.00 C ATOM 0 H VAL A 27 -1.084 11.354 1.432 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.309 8.882 2.560 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.095 9.478 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.113 7.279 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.392 7.098 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.906 7.056 2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.924 9.356 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.720 9.133 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.785 10.666 2.243 1.00 0.00 H new ATOM 440 N LYS A 28 0.627 9.483 -0.557 1.00 0.00 N ATOM 441 CA LYS A 28 1.556 9.109 -1.621 1.00 0.00 C ATOM 442 C LYS A 28 2.993 9.142 -1.102 1.00 0.00 C ATOM 443 O LYS A 28 3.823 8.323 -1.493 1.00 0.00 O ATOM 444 CB LYS A 28 1.384 10.087 -2.805 1.00 0.00 C ATOM 445 CG LYS A 28 2.267 9.687 -3.993 1.00 0.00 C ATOM 446 CD LYS A 28 2.216 10.798 -5.054 1.00 0.00 C ATOM 447 CE LYS A 28 3.091 10.427 -6.257 1.00 0.00 C ATOM 448 NZ LYS A 28 4.516 10.324 -5.827 1.00 0.00 N ATOM 0 H LYS A 28 0.076 10.317 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 28 1.341 8.095 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.339 10.105 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.638 11.097 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.294 9.530 -3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.921 8.745 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.187 10.953 -5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.559 11.738 -4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.760 9.480 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.990 11.180 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.098 10.007 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.849 11.255 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.595 9.639 -5.049 1.00 0.00 H new ATOM 462 N ALA A 29 3.269 10.100 -0.216 1.00 0.00 N ATOM 463 CA ALA A 29 4.593 10.258 0.363 1.00 0.00 C ATOM 464 C ALA A 29 4.898 9.138 1.319 1.00 0.00 C ATOM 465 O ALA A 29 5.995 8.582 1.308 1.00 0.00 O ATOM 466 CB ALA A 29 4.673 11.568 1.119 1.00 0.00 C ATOM 0 H ALA A 29 2.584 10.780 0.115 1.00 0.00 H new ATOM 0 HA ALA A 29 5.317 10.245 -0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.668 11.679 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.479 12.395 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.930 11.574 1.916 1.00 0.00 H new ATOM 472 N PHE A 30 3.914 8.805 2.143 1.00 0.00 N ATOM 473 CA PHE A 30 4.078 7.747 3.088 1.00 0.00 C ATOM 474 C PHE A 30 4.287 6.465 2.315 1.00 0.00 C ATOM 475 O PHE A 30 5.141 5.653 2.673 1.00 0.00 O ATOM 476 CB PHE A 30 2.861 7.664 4.009 1.00 0.00 C ATOM 477 CG PHE A 30 2.726 8.944 4.825 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.846 9.487 5.486 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.482 9.599 4.919 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.715 10.663 6.224 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.367 10.771 5.661 1.00 0.00 C ATOM 482 CZ PHE A 30 2.479 11.299 6.311 1.00 0.00 C ATOM 0 H PHE A 30 3.002 9.260 2.164 1.00 0.00 H new ATOM 0 HA PHE A 30 4.943 7.928 3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.959 7.505 3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.959 6.808 4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.804 8.993 5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.618 9.192 4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.573 11.081 6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.413 11.272 5.733 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.383 12.208 6.887 1.00 0.00 H new ATOM 492 N ILE A 31 3.551 6.323 1.201 1.00 0.00 N ATOM 493 CA ILE A 31 3.723 5.165 0.351 1.00 0.00 C ATOM 494 C ILE A 31 5.114 5.194 -0.246 1.00 0.00 C ATOM 495 O ILE A 31 5.802 4.187 -0.256 1.00 0.00 O ATOM 496 CB ILE A 31 2.651 5.104 -0.757 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.296 4.748 -0.119 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.019 4.044 -1.830 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.199 4.753 -1.180 1.00 0.00 C ATOM 0 H ILE A 31 2.847 6.990 0.884 1.00 0.00 H new ATOM 0 HA ILE A 31 3.602 4.266 0.956 1.00 0.00 H new ATOM 0 HB ILE A 31 2.594 6.076 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.353 3.766 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.056 5.464 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.247 4.022 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.976 4.303 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.093 3.063 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.755 4.500 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.133 5.743 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.435 4.019 -1.951 1.00 0.00 H new ATOM 511 N ASP A 32 5.522 6.364 -0.721 1.00 0.00 N ATOM 512 CA ASP A 32 6.849 6.518 -1.314 1.00 0.00 C ATOM 513 C ASP A 32 7.927 6.113 -0.320 1.00 0.00 C ATOM 514 O ASP A 32 8.868 5.389 -0.653 1.00 0.00 O ATOM 515 CB ASP A 32 7.077 7.975 -1.752 1.00 0.00 C ATOM 516 CG ASP A 32 6.656 8.179 -3.206 1.00 0.00 C ATOM 517 OD1 ASP A 32 7.270 7.573 -4.070 1.00 0.00 O ATOM 518 OD2 ASP A 32 5.738 8.949 -3.437 1.00 0.00 O ATOM 0 H ASP A 32 4.960 7.215 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 32 6.907 5.869 -2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.509 8.646 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.129 8.234 -1.634 1.00 0.00 H new ATOM 523 N SER A 33 7.754 6.578 0.903 1.00 0.00 N ATOM 524 CA SER A 33 8.676 6.276 1.989 1.00 0.00 C ATOM 525 C SER A 33 8.638 4.779 2.296 1.00 0.00 C ATOM 526 O SER A 33 9.663 4.162 2.577 1.00 0.00 O ATOM 527 CB SER A 33 8.277 7.087 3.219 1.00 0.00 C ATOM 528 OG SER A 33 8.368 8.473 2.915 1.00 0.00 O ATOM 0 H SER A 33 6.973 7.175 1.174 1.00 0.00 H new ATOM 0 HA SER A 33 9.693 6.542 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.261 6.835 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.929 6.843 4.058 1.00 0.00 H new ATOM 0 HG SER A 33 7.615 8.733 2.344 1.00 0.00 H new ATOM 534 N LEU A 34 7.438 4.216 2.198 1.00 0.00 N ATOM 535 CA LEU A 34 7.203 2.787 2.412 1.00 0.00 C ATOM 536 C LEU A 34 8.012 1.974 1.401 1.00 0.00 C ATOM 537 O LEU A 34 8.765 1.076 1.774 1.00 0.00 O ATOM 538 CB LEU A 34 5.709 2.538 2.206 1.00 0.00 C ATOM 539 CG LEU A 34 4.965 2.411 3.532 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.672 3.228 3.507 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.607 0.958 3.735 1.00 0.00 C ATOM 0 H LEU A 34 6.594 4.739 1.966 1.00 0.00 H new ATOM 0 HA LEU A 34 7.509 2.488 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.281 3.356 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.570 1.628 1.623 1.00 0.00 H new ATOM 0 HG LEU A 34 5.602 2.780 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.157 3.123 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.908 4.278 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.028 2.865 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.073 0.843 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.972 0.622 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.517 0.359 3.758 1.00 0.00 H new ATOM 553 N ARG A 35 7.853 2.311 0.123 1.00 0.00 N ATOM 554 CA ARG A 35 8.592 1.614 -0.951 1.00 0.00 C ATOM 555 C ARG A 35 10.099 1.759 -0.724 1.00 0.00 C ATOM 556 O ARG A 35 10.855 0.791 -0.827 1.00 0.00 O ATOM 557 CB ARG A 35 8.289 2.191 -2.354 1.00 0.00 C ATOM 558 CG ARG A 35 6.998 3.012 -2.356 1.00 0.00 C ATOM 559 CD ARG A 35 6.524 3.306 -3.784 1.00 0.00 C ATOM 560 NE ARG A 35 5.754 2.185 -4.301 1.00 0.00 N ATOM 561 CZ ARG A 35 6.338 1.193 -4.945 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.631 1.315 -6.204 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.625 0.106 -4.310 1.00 0.00 N ATOM 0 H ARG A 35 7.230 3.051 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 35 8.272 0.573 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.120 2.817 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.204 1.376 -3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.220 2.471 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.161 3.950 -1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.915 4.210 -3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.383 3.494 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 35 4.744 2.166 -4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.410 2.180 -6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.083 0.546 -6.699 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.400 0.020 -3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.077 -0.667 -4.800 1.00 0.00 H new ATOM 577 N ASP A 36 10.510 2.994 -0.419 1.00 0.00 N ATOM 578 CA ASP A 36 11.912 3.319 -0.179 1.00 0.00 C ATOM 579 C ASP A 36 12.429 2.592 1.051 1.00 0.00 C ATOM 580 O ASP A 36 13.585 2.167 1.101 1.00 0.00 O ATOM 581 CB ASP A 36 12.058 4.823 0.021 1.00 0.00 C ATOM 582 CG ASP A 36 13.535 5.215 0.055 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.100 5.418 -1.008 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.081 5.303 1.143 1.00 0.00 O ATOM 0 H ASP A 36 9.880 3.791 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 36 12.496 3.001 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.553 5.354 -0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.574 5.121 0.951 1.00 0.00 H new ATOM 589 N ASP A 37 11.553 2.466 2.038 1.00 0.00 N ATOM 590 CA ASP A 37 11.896 1.799 3.286 1.00 0.00 C ATOM 591 C ASP A 37 10.673 1.110 3.869 1.00 0.00 C ATOM 592 O ASP A 37 9.875 1.722 4.587 1.00 0.00 O ATOM 593 CB ASP A 37 12.478 2.808 4.291 1.00 0.00 C ATOM 594 CG ASP A 37 13.203 2.085 5.435 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.717 1.053 5.880 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.232 2.582 5.860 1.00 0.00 O ATOM 0 H ASP A 37 10.597 2.818 1.998 1.00 0.00 H new ATOM 0 HA ASP A 37 12.654 1.043 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.171 3.477 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.677 3.427 4.696 1.00 0.00 H new ATOM 601 N PRO A 38 10.513 -0.154 3.569 1.00 0.00 N ATOM 602 CA PRO A 38 9.369 -0.950 4.064 1.00 0.00 C ATOM 603 C PRO A 38 9.455 -1.236 5.557 1.00 0.00 C ATOM 604 O PRO A 38 8.436 -1.323 6.238 1.00 0.00 O ATOM 605 CB PRO A 38 9.412 -2.238 3.251 1.00 0.00 C ATOM 606 CG PRO A 38 10.564 -2.144 2.302 1.00 0.00 C ATOM 607 CD PRO A 38 11.412 -0.956 2.725 1.00 0.00 C ATOM 0 HA PRO A 38 8.431 -0.409 3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.528 -3.100 3.908 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.479 -2.376 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.153 -3.061 2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.208 -2.016 1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.297 -1.274 3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.761 -0.388 1.862 1.00 0.00 H new ATOM 615 N SER A 39 10.675 -1.358 6.064 1.00 0.00 N ATOM 616 CA SER A 39 10.875 -1.598 7.488 1.00 0.00 C ATOM 617 C SER A 39 10.338 -0.397 8.259 1.00 0.00 C ATOM 618 O SER A 39 9.850 -0.518 9.384 1.00 0.00 O ATOM 619 CB SER A 39 12.364 -1.793 7.792 1.00 0.00 C ATOM 620 OG SER A 39 12.890 -2.795 6.932 1.00 0.00 O ATOM 0 H SER A 39 11.534 -1.296 5.517 1.00 0.00 H new ATOM 0 HA SER A 39 10.346 -2.503 7.787 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.902 -0.856 7.650 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.500 -2.083 8.834 1.00 0.00 H new ATOM 0 HG SER A 39 13.843 -2.922 7.122 1.00 0.00 H new ATOM 626 N GLN A 40 10.437 0.763 7.609 1.00 0.00 N ATOM 627 CA GLN A 40 9.975 2.023 8.170 1.00 0.00 C ATOM 628 C GLN A 40 8.471 2.216 7.929 1.00 0.00 C ATOM 629 O GLN A 40 7.902 3.209 8.339 1.00 0.00 O ATOM 630 CB GLN A 40 10.761 3.168 7.510 1.00 0.00 C ATOM 631 CG GLN A 40 10.634 4.471 8.314 1.00 0.00 C ATOM 632 CD GLN A 40 11.452 5.591 7.664 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.273 5.321 6.683 1.00 0.00 O flip ATOM 634 NE2 GLN A 40 11.340 6.748 8.067 1.00 0.00 N flip ATOM 0 H GLN A 40 10.842 0.850 6.677 1.00 0.00 H new ATOM 0 HA GLN A 40 10.142 2.018 9.247 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.812 2.890 7.428 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.393 3.327 6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.587 4.767 8.374 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.978 4.309 9.336 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.700 6.962 8.832 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.887 7.493 7.636 1.00 0.00 H new ATOM 643 N SER A 41 7.834 1.270 7.245 1.00 0.00 N ATOM 644 CA SER A 41 6.407 1.383 6.926 1.00 0.00 C ATOM 645 C SER A 41 5.560 1.733 8.153 1.00 0.00 C ATOM 646 O SER A 41 4.619 2.521 8.058 1.00 0.00 O ATOM 647 CB SER A 41 5.925 0.042 6.378 1.00 0.00 C ATOM 648 OG SER A 41 6.019 -0.952 7.392 1.00 0.00 O ATOM 0 H SER A 41 8.278 0.419 6.900 1.00 0.00 H new ATOM 0 HA SER A 41 6.292 2.186 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.894 0.128 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.526 -0.247 5.516 1.00 0.00 H new ATOM 0 HG SER A 41 6.878 -1.418 7.315 1.00 0.00 H new ATOM 654 N ALA A 42 5.915 1.161 9.295 1.00 0.00 N ATOM 655 CA ALA A 42 5.204 1.422 10.540 1.00 0.00 C ATOM 656 C ALA A 42 5.378 2.871 10.946 1.00 0.00 C ATOM 657 O ALA A 42 4.464 3.510 11.465 1.00 0.00 O ATOM 658 CB ALA A 42 5.799 0.554 11.635 1.00 0.00 C ATOM 0 H ALA A 42 6.695 0.510 9.386 1.00 0.00 H new ATOM 0 HA ALA A 42 4.146 1.203 10.397 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.275 0.741 12.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.695 -0.497 11.364 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.855 0.794 11.756 1.00 0.00 H new ATOM 664 N ASN A 43 6.583 3.357 10.705 1.00 0.00 N ATOM 665 CA ASN A 43 6.961 4.711 11.030 1.00 0.00 C ATOM 666 C ASN A 43 6.227 5.712 10.148 1.00 0.00 C ATOM 667 O ASN A 43 5.881 6.806 10.570 1.00 0.00 O ATOM 668 CB ASN A 43 8.463 4.839 10.814 1.00 0.00 C ATOM 669 CG ASN A 43 9.215 4.621 12.123 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.099 5.423 13.050 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.984 3.576 12.256 1.00 0.00 N ATOM 0 H ASN A 43 7.330 2.813 10.274 1.00 0.00 H new ATOM 0 HA ASN A 43 6.696 4.926 12.065 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.793 4.110 10.073 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.695 5.826 10.415 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.490 3.423 13.128 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.080 2.912 11.488 1.00 0.00 H new ATOM 678 N LEU A 44 6.017 5.304 8.916 1.00 0.00 N ATOM 679 CA LEU A 44 5.343 6.110 7.913 1.00 0.00 C ATOM 680 C LEU A 44 3.891 6.144 8.231 1.00 0.00 C ATOM 681 O LEU A 44 3.240 7.178 8.157 1.00 0.00 O ATOM 682 CB LEU A 44 5.641 5.473 6.568 1.00 0.00 C ATOM 683 CG LEU A 44 7.164 5.407 6.483 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.624 4.488 5.373 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.686 6.814 6.308 1.00 0.00 C ATOM 0 H LEU A 44 6.313 4.390 8.574 1.00 0.00 H new ATOM 0 HA LEU A 44 5.687 7.144 7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.200 4.479 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.227 6.065 5.752 1.00 0.00 H new ATOM 0 HG LEU A 44 7.567 4.982 7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.713 4.468 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.247 3.481 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.243 4.851 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.774 6.793 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.277 7.243 5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.384 7.423 7.160 1.00 0.00 H new ATOM 697 N LEU A 45 3.436 5.001 8.677 1.00 0.00 N ATOM 698 CA LEU A 45 2.075 4.852 9.137 1.00 0.00 C ATOM 699 C LEU A 45 1.915 5.743 10.359 1.00 0.00 C ATOM 700 O LEU A 45 0.893 6.391 10.555 1.00 0.00 O ATOM 701 CB LEU A 45 1.812 3.380 9.489 1.00 0.00 C ATOM 702 CG LEU A 45 0.561 3.244 10.368 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.659 3.820 9.641 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.334 1.764 10.680 1.00 0.00 C ATOM 0 H LEU A 45 3.994 4.149 8.732 1.00 0.00 H new ATOM 0 HA LEU A 45 1.358 5.142 8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.684 2.800 8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.675 2.967 10.011 1.00 0.00 H new ATOM 0 HG LEU A 45 0.704 3.798 11.296 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.541 3.718 10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.488 4.874 9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.817 3.278 8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.553 1.656 11.304 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.192 1.214 9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.201 1.366 11.208 1.00 0.00 H new ATOM 716 N ALA A 46 2.976 5.779 11.152 1.00 0.00 N ATOM 717 CA ALA A 46 3.025 6.595 12.351 1.00 0.00 C ATOM 718 C ALA A 46 2.967 8.054 11.973 1.00 0.00 C ATOM 719 O ALA A 46 2.217 8.842 12.550 1.00 0.00 O ATOM 720 CB ALA A 46 4.333 6.347 13.095 1.00 0.00 C ATOM 0 H ALA A 46 3.826 5.242 10.980 1.00 0.00 H new ATOM 0 HA ALA A 46 2.178 6.334 12.986 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.363 6.963 13.994 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.399 5.295 13.373 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.173 6.605 12.450 1.00 0.00 H new ATOM 726 N GLU A 47 3.768 8.382 10.974 1.00 0.00 N ATOM 727 CA GLU A 47 3.843 9.719 10.454 1.00 0.00 C ATOM 728 C GLU A 47 2.506 10.113 9.889 1.00 0.00 C ATOM 729 O GLU A 47 2.071 11.245 10.019 1.00 0.00 O ATOM 730 CB GLU A 47 4.865 9.741 9.330 1.00 0.00 C ATOM 731 CG GLU A 47 6.289 9.857 9.859 1.00 0.00 C ATOM 732 CD GLU A 47 6.441 11.083 10.765 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.189 12.182 10.294 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.795 10.906 11.919 1.00 0.00 O ATOM 0 H GLU A 47 4.384 7.718 10.504 1.00 0.00 H new ATOM 0 HA GLU A 47 4.126 10.409 11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.771 8.832 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.655 10.579 8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.549 8.956 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.986 9.929 9.024 1.00 0.00 H new ATOM 741 N ALA A 48 1.867 9.150 9.260 1.00 0.00 N ATOM 742 CA ALA A 48 0.584 9.362 8.661 1.00 0.00 C ATOM 743 C ALA A 48 -0.449 9.600 9.735 1.00 0.00 C ATOM 744 O ALA A 48 -1.212 10.553 9.665 1.00 0.00 O ATOM 745 CB ALA A 48 0.238 8.135 7.855 1.00 0.00 C ATOM 0 H ALA A 48 2.229 8.202 9.154 1.00 0.00 H new ATOM 0 HA ALA A 48 0.603 10.238 8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.737 8.270 7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.993 7.982 7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.208 7.265 8.511 1.00 0.00 H new ATOM 751 N LYS A 49 -0.433 8.745 10.751 1.00 0.00 N ATOM 752 CA LYS A 49 -1.344 8.896 11.869 1.00 0.00 C ATOM 753 C LYS A 49 -1.088 10.247 12.512 1.00 0.00 C ATOM 754 O LYS A 49 -2.003 10.877 13.032 1.00 0.00 O ATOM 755 CB LYS A 49 -1.130 7.768 12.893 1.00 0.00 C ATOM 756 CG LYS A 49 -1.566 6.420 12.294 1.00 0.00 C ATOM 757 CD LYS A 49 -3.089 6.258 12.402 1.00 0.00 C ATOM 758 CE LYS A 49 -3.535 4.997 11.650 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.882 3.796 12.249 1.00 0.00 N ATOM 0 H LYS A 49 0.198 7.946 10.820 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.375 8.838 11.519 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.080 7.724 13.182 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.702 7.975 13.798 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.260 6.362 11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.068 5.604 12.817 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.383 6.190 13.449 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.587 7.134 11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.619 4.896 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.271 5.078 10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.225 2.939 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.851 3.868 12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.114 3.743 13.261 1.00 0.00 H new ATOM 773 N LYS A 50 0.174 10.692 12.443 1.00 0.00 N ATOM 774 CA LYS A 50 0.556 11.974 12.992 1.00 0.00 C ATOM 775 C LYS A 50 0.065 13.097 12.098 1.00 0.00 C ATOM 776 O LYS A 50 -0.431 14.116 12.578 1.00 0.00 O ATOM 777 CB LYS A 50 2.078 12.032 13.165 1.00 0.00 C ATOM 778 CG LYS A 50 2.495 13.343 13.861 1.00 0.00 C ATOM 779 CD LYS A 50 3.048 14.350 12.836 1.00 0.00 C ATOM 780 CE LYS A 50 4.283 13.783 12.116 1.00 0.00 C ATOM 781 NZ LYS A 50 5.212 13.156 13.100 1.00 0.00 N ATOM 0 H LYS A 50 0.938 10.174 12.010 1.00 0.00 H new ATOM 0 HA LYS A 50 0.093 12.098 13.971 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.415 11.178 13.753 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.563 11.960 12.192 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.638 13.775 14.377 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.251 13.134 14.618 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.276 14.592 12.105 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.312 15.280 13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.974 13.045 11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.796 14.580 11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.135 12.992 12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.333 13.789 13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.817 12.249 13.421 1.00 0.00 H new ATOM 795 N LEU A 51 0.204 12.891 10.795 1.00 0.00 N ATOM 796 CA LEU A 51 -0.229 13.879 9.822 1.00 0.00 C ATOM 797 C LEU A 51 -1.744 13.950 9.815 1.00 0.00 C ATOM 798 O LEU A 51 -2.329 15.031 9.802 1.00 0.00 O ATOM 799 CB LEU A 51 0.288 13.528 8.419 1.00 0.00 C ATOM 800 CG LEU A 51 1.598 14.272 8.105 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.418 15.782 8.308 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.731 13.751 9.000 1.00 0.00 C ATOM 0 H LEU A 51 0.613 12.049 10.390 1.00 0.00 H new ATOM 0 HA LEU A 51 0.181 14.849 10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.452 12.453 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.467 13.786 7.676 1.00 0.00 H new ATOM 0 HG LEU A 51 1.859 14.089 7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.354 16.294 8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.635 16.148 7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.138 15.979 9.343 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.653 14.285 8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.471 13.912 10.046 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.875 12.685 8.822 1.00 0.00 H new ATOM 814 N ASN A 52 -2.361 12.777 9.850 1.00 0.00 N ATOM 815 CA ASN A 52 -3.800 12.667 9.878 1.00 0.00 C ATOM 816 C ASN A 52 -4.319 13.297 11.150 1.00 0.00 C ATOM 817 O ASN A 52 -5.275 14.061 11.127 1.00 0.00 O ATOM 818 CB ASN A 52 -4.197 11.197 9.826 1.00 0.00 C ATOM 819 CG ASN A 52 -5.667 11.012 10.157 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.510 11.161 9.289 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.024 10.686 11.366 1.00 0.00 N ATOM 0 H ASN A 52 -1.873 11.881 9.860 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.229 13.182 9.018 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.992 10.798 8.833 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.589 10.629 10.530 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.011 10.555 11.588 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.317 10.562 12.091 1.00 0.00 H new ATOM 828 N ASP A 53 -3.660 12.968 12.260 1.00 0.00 N ATOM 829 CA ASP A 53 -4.047 13.516 13.548 1.00 0.00 C ATOM 830 C ASP A 53 -3.863 15.029 13.541 1.00 0.00 C ATOM 831 O ASP A 53 -4.692 15.771 14.066 1.00 0.00 O ATOM 832 CB ASP A 53 -3.227 12.888 14.677 1.00 0.00 C ATOM 833 CG ASP A 53 -3.670 13.445 16.029 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.580 12.877 16.613 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.101 14.436 16.457 1.00 0.00 O ATOM 0 H ASP A 53 -2.864 12.331 12.289 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.097 13.283 13.723 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.349 11.805 14.665 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.167 13.091 14.522 1.00 0.00 H new ATOM 840 N ALA A 54 -2.773 15.471 12.919 1.00 0.00 N ATOM 841 CA ALA A 54 -2.485 16.888 12.811 1.00 0.00 C ATOM 842 C ALA A 54 -3.560 17.556 11.961 1.00 0.00 C ATOM 843 O ALA A 54 -3.993 18.673 12.249 1.00 0.00 O ATOM 844 CB ALA A 54 -1.109 17.089 12.172 1.00 0.00 C ATOM 0 H ALA A 54 -2.078 14.864 12.484 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.480 17.338 13.804 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.897 18.155 12.093 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.348 16.612 12.790 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.101 16.643 11.178 1.00 0.00 H new ATOM 850 N GLN A 55 -3.991 16.841 10.918 1.00 0.00 N ATOM 851 CA GLN A 55 -5.027 17.333 10.017 1.00 0.00 C ATOM 852 C GLN A 55 -6.424 16.965 10.532 1.00 0.00 C ATOM 853 O GLN A 55 -7.433 17.334 9.926 1.00 0.00 O ATOM 854 CB GLN A 55 -4.804 16.720 8.635 1.00 0.00 C ATOM 855 CG GLN A 55 -3.551 17.332 7.998 1.00 0.00 C ATOM 856 CD GLN A 55 -3.153 16.526 6.771 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.829 15.275 6.914 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.138 17.046 5.655 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.634 15.916 10.679 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.966 18.420 9.962 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.691 15.639 8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.672 16.901 8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.743 18.368 7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.733 17.343 8.719 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.393 18.028 5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.871 16.495 4.839 1.00 0.00 H new ATOM 867 N ALA A 56 -6.470 16.234 11.649 1.00 0.00 N ATOM 868 CA ALA A 56 -7.741 15.812 12.237 1.00 0.00 C ATOM 869 C ALA A 56 -8.391 16.965 12.991 1.00 0.00 C ATOM 870 O ALA A 56 -7.698 17.797 13.576 1.00 0.00 O ATOM 871 CB ALA A 56 -7.524 14.619 13.180 1.00 0.00 C ATOM 0 H ALA A 56 -5.644 15.924 12.162 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.407 15.505 11.430 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.479 14.317 13.610 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.098 13.786 12.621 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.841 14.907 13.979 1.00 0.00 H new ATOM 877 N PRO A 57 -9.709 17.028 12.959 1.00 0.00 N ATOM 878 CA PRO A 57 -10.522 18.091 13.619 1.00 0.00 C ATOM 879 C PRO A 57 -10.005 18.461 15.008 1.00 0.00 C ATOM 880 O PRO A 57 -10.356 17.848 16.020 1.00 0.00 O ATOM 881 CB PRO A 57 -11.923 17.476 13.709 1.00 0.00 C ATOM 882 CG PRO A 57 -11.806 16.099 13.176 1.00 0.00 C ATOM 883 CD PRO A 57 -10.600 16.093 12.273 1.00 0.00 C ATOM 0 HA PRO A 57 -10.489 19.024 13.056 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.278 17.465 14.740 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.641 18.057 13.131 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.689 15.378 13.985 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.704 15.818 12.626 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.160 15.100 12.184 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.843 16.425 11.264 1.00 0.00 H new ATOM 891 N LYS A 58 -9.169 19.473 15.012 1.00 0.00 N ATOM 892 CA LYS A 58 -8.557 19.994 16.235 1.00 0.00 C ATOM 893 C LYS A 58 -8.478 21.521 16.189 1.00 0.00 C ATOM 894 O LYS A 58 -8.120 22.049 15.147 1.00 0.00 O ATOM 895 CB LYS A 58 -7.158 19.414 16.410 1.00 0.00 C ATOM 896 CG LYS A 58 -7.246 17.938 16.811 1.00 0.00 C ATOM 897 CD LYS A 58 -5.837 17.388 17.040 1.00 0.00 C ATOM 898 CE LYS A 58 -5.913 15.914 17.448 1.00 0.00 C ATOM 899 NZ LYS A 58 -6.268 15.088 16.262 1.00 0.00 N ATOM 900 OXT LYS A 58 -8.775 22.141 17.198 1.00 0.00 O ATOM 0 H LYS A 58 -8.886 19.968 14.167 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.178 19.699 17.081 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.596 19.514 15.481 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.616 19.974 17.172 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.842 17.831 17.718 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.749 17.367 16.030 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.244 17.493 16.131 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.334 17.964 17.817 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.956 15.589 17.857 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.657 15.781 18.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.027 14.093 16.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.288 15.168 16.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.737 15.424 15.433 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -11.104 -5.231 7.032 1.00 0.00 N ATOM 916 CA VAL B 1 -12.237 -4.306 6.739 1.00 0.00 C ATOM 917 C VAL B 1 -13.114 -4.913 5.640 1.00 0.00 C ATOM 918 O VAL B 1 -14.342 -4.857 5.713 1.00 0.00 O ATOM 919 CB VAL B 1 -11.680 -2.932 6.310 1.00 0.00 C ATOM 920 CG1 VAL B 1 -10.842 -3.062 5.026 1.00 0.00 C ATOM 921 CG2 VAL B 1 -12.838 -1.952 6.066 1.00 0.00 C ATOM 0 H1 VAL B 1 -10.442 -4.772 7.690 1.00 0.00 H new ATOM 0 H2 VAL B 1 -11.471 -6.104 7.463 1.00 0.00 H new ATOM 0 H3 VAL B 1 -10.608 -5.463 6.148 1.00 0.00 H new ATOM 0 HA VAL B 1 -12.848 -4.165 7.631 1.00 0.00 H new ATOM 0 HB VAL B 1 -11.043 -2.555 7.110 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -10.459 -2.082 4.741 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -10.008 -3.740 5.203 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -11.465 -3.456 4.223 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.438 -0.984 5.764 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -13.483 -2.340 5.278 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -13.415 -1.835 6.983 1.00 0.00 H new ATOM 933 N ASP B 2 -12.464 -5.495 4.633 1.00 0.00 N ATOM 934 CA ASP B 2 -13.166 -6.125 3.516 1.00 0.00 C ATOM 935 C ASP B 2 -13.514 -7.576 3.856 1.00 0.00 C ATOM 936 O ASP B 2 -13.529 -7.959 5.029 1.00 0.00 O ATOM 937 CB ASP B 2 -12.281 -6.073 2.262 1.00 0.00 C ATOM 938 CG ASP B 2 -10.970 -6.827 2.506 1.00 0.00 C ATOM 939 OD1 ASP B 2 -10.130 -6.295 3.215 1.00 0.00 O ATOM 940 OD2 ASP B 2 -10.830 -7.923 1.990 1.00 0.00 O ATOM 0 H ASP B 2 -11.447 -5.543 4.568 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.093 -5.584 3.326 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -12.810 -6.513 1.417 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -12.069 -5.036 2.001 1.00 0.00 H new ATOM 945 N ASN B 3 -13.786 -8.374 2.821 1.00 0.00 N ATOM 946 CA ASN B 3 -14.123 -9.781 2.997 1.00 0.00 C ATOM 947 C ASN B 3 -12.929 -10.565 3.556 1.00 0.00 C ATOM 948 O ASN B 3 -11.964 -9.978 4.055 1.00 0.00 O ATOM 949 CB ASN B 3 -14.583 -10.376 1.654 1.00 0.00 C ATOM 950 CG ASN B 3 -13.461 -10.309 0.618 1.00 0.00 C ATOM 951 OD1 ASN B 3 -12.876 -9.249 0.400 1.00 0.00 O ATOM 952 ND2 ASN B 3 -13.128 -11.384 -0.039 1.00 0.00 N ATOM 0 H ASN B 3 -13.778 -8.064 1.849 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.937 -9.859 3.717 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -14.891 -11.412 1.796 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -15.454 -9.832 1.289 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -12.382 -11.347 -0.734 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -13.613 -12.263 0.142 1.00 0.00 H new ATOM 959 N LYS B 4 -13.005 -11.897 3.477 1.00 0.00 N ATOM 960 CA LYS B 4 -11.936 -12.759 3.988 1.00 0.00 C ATOM 961 C LYS B 4 -10.598 -12.470 3.303 1.00 0.00 C ATOM 962 O LYS B 4 -9.545 -12.904 3.778 1.00 0.00 O ATOM 963 CB LYS B 4 -12.324 -14.237 3.840 1.00 0.00 C ATOM 964 CG LYS B 4 -12.811 -14.526 2.414 1.00 0.00 C ATOM 965 CD LYS B 4 -12.203 -15.842 1.915 1.00 0.00 C ATOM 966 CE LYS B 4 -10.673 -15.726 1.824 1.00 0.00 C ATOM 967 NZ LYS B 4 -10.175 -16.550 0.686 1.00 0.00 N ATOM 0 H LYS B 4 -13.792 -12.399 3.066 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.808 -12.539 5.048 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -11.467 -14.869 4.073 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.108 -14.487 4.555 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -13.899 -14.588 2.397 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -12.528 -13.709 1.750 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -12.473 -16.654 2.591 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -12.614 -16.092 0.937 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -10.385 -14.684 1.685 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -10.217 -16.061 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -9.260 -16.975 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.861 -17.304 0.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.056 -15.947 -0.153 1.00 0.00 H new ATOM 981 N PHE B 5 -10.645 -11.728 2.198 1.00 0.00 N ATOM 982 CA PHE B 5 -9.443 -11.370 1.470 1.00 0.00 C ATOM 983 C PHE B 5 -8.651 -10.292 2.186 1.00 0.00 C ATOM 984 O PHE B 5 -7.623 -9.886 1.697 1.00 0.00 O ATOM 985 CB PHE B 5 -9.790 -10.919 0.050 1.00 0.00 C ATOM 986 CG PHE B 5 -9.846 -12.138 -0.827 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.728 -13.172 -0.506 1.00 0.00 C ATOM 988 CD2 PHE B 5 -9.012 -12.244 -1.944 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.775 -14.319 -1.302 1.00 0.00 C ATOM 990 CE2 PHE B 5 -9.060 -13.388 -2.743 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.940 -14.427 -2.422 1.00 0.00 C ATOM 0 H PHE B 5 -11.507 -11.365 1.792 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.816 -12.260 1.416 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.748 -10.398 0.039 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -9.042 -10.218 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.373 -13.085 0.356 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -8.331 -11.442 -2.189 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.454 -15.121 -1.054 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -8.418 -13.471 -3.608 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.976 -15.313 -3.038 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.106 -9.852 3.357 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.354 -8.842 4.115 1.00 0.00 C ATOM 1003 C ASN B 6 -6.932 -9.332 4.331 1.00 0.00 C ATOM 1004 O ASN B 6 -5.989 -8.569 4.161 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.046 -8.524 5.455 1.00 0.00 C ATOM 1006 CG ASN B 6 -9.281 -9.779 6.308 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.215 -10.970 5.779 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.536 -9.664 7.507 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.970 -10.167 3.798 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.325 -7.915 3.543 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -8.436 -7.816 6.016 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -10.001 -8.037 5.260 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -9.590 -8.738 7.930 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.693 -10.495 8.077 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.790 -10.623 4.631 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.479 -11.232 4.796 1.00 0.00 C ATOM 1017 C LYS B 7 -4.743 -11.206 3.456 1.00 0.00 C ATOM 1018 O LYS B 7 -3.549 -10.927 3.393 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.649 -12.680 5.276 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.278 -13.353 5.452 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.464 -14.825 5.863 1.00 0.00 C ATOM 1022 CE LYS B 7 -5.161 -15.622 4.743 1.00 0.00 C ATOM 1023 NZ LYS B 7 -4.603 -15.240 3.411 1.00 0.00 N ATOM 0 H LYS B 7 -7.571 -11.265 4.764 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.900 -10.678 5.535 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.192 -12.695 6.221 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.246 -13.240 4.556 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.713 -13.295 4.522 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.699 -12.825 6.210 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -3.494 -15.271 6.083 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.055 -14.880 6.777 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -5.025 -16.691 4.909 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -6.234 -15.430 4.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -4.739 -16.023 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -5.094 -14.393 3.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -3.587 -15.037 3.505 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.490 -11.500 2.392 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.945 -11.519 1.034 1.00 0.00 C ATOM 1039 C GLU B 8 -4.621 -10.108 0.531 1.00 0.00 C ATOM 1040 O GLU B 8 -3.616 -9.894 -0.152 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.978 -12.160 0.081 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.992 -13.690 0.245 1.00 0.00 C ATOM 1043 CD GLU B 8 -7.143 -14.115 1.153 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -7.021 -13.951 2.356 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -8.130 -14.595 0.630 1.00 0.00 O ATOM 0 H GLU B 8 -6.482 -11.730 2.445 1.00 0.00 H new ATOM 0 HA GLU B 8 -4.021 -12.097 1.053 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.970 -11.758 0.288 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.738 -11.902 -0.950 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.094 -14.166 -0.730 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.044 -14.026 0.666 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.507 -9.168 0.845 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.374 -7.788 0.405 1.00 0.00 C ATOM 1054 C ARG B 9 -4.163 -7.096 1.029 1.00 0.00 C ATOM 1055 O ARG B 9 -3.393 -6.462 0.326 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.636 -7.000 0.789 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.617 -5.619 0.109 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.284 -4.578 1.010 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.676 -4.936 1.245 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.664 -4.106 0.940 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.029 -3.954 -0.299 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -10.269 -3.446 1.883 1.00 0.00 N ATOM 0 H ARG B 9 -6.337 -9.344 1.412 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.239 -7.807 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.526 -7.552 0.487 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.686 -6.882 1.871 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.589 -5.323 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -7.137 -5.669 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.752 -4.513 1.959 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -7.227 -3.594 0.545 1.00 0.00 H new ATOM 0 HE ARG B 9 -8.896 -5.845 1.653 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.555 -4.474 -1.038 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.789 -3.315 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -9.983 -3.567 2.855 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -11.029 -2.807 1.651 1.00 0.00 H new ATOM 1076 N VAL B 10 -4.012 -7.214 2.351 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.901 -6.562 3.057 1.00 0.00 C ATOM 1078 C VAL B 10 -1.552 -7.023 2.504 1.00 0.00 C ATOM 1079 O VAL B 10 -0.634 -6.210 2.369 1.00 0.00 O ATOM 1080 CB VAL B 10 -3.060 -6.689 4.598 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.441 -8.102 5.035 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.791 -6.215 5.338 1.00 0.00 C ATOM 0 H VAL B 10 -4.638 -7.750 2.952 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.932 -5.490 2.864 1.00 0.00 H new ATOM 0 HB VAL B 10 -3.885 -6.033 4.874 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.539 -8.133 6.120 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.390 -8.381 4.577 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -2.667 -8.801 4.720 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.937 -6.318 6.413 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -0.941 -6.822 5.028 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -1.598 -5.170 5.096 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.443 -8.299 2.122 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.201 -8.784 1.516 1.00 0.00 C ATOM 1094 C ILE B 11 -0.029 -8.161 0.123 1.00 0.00 C ATOM 1095 O ILE B 11 1.081 -7.782 -0.254 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.193 -10.320 1.405 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.297 -10.932 2.816 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.111 -10.779 0.736 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.517 -12.232 2.932 1.00 0.00 C ATOM 0 H ILE B 11 -2.179 -8.998 2.218 1.00 0.00 H new ATOM 0 HA ILE B 11 0.629 -8.488 2.158 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.040 -10.649 0.803 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.060 -10.212 3.552 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.342 -11.135 3.049 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.117 -11.866 0.658 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.182 -10.343 -0.260 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.961 -10.454 1.335 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.419 -12.634 3.941 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.143 -12.961 2.213 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.567 -12.024 2.725 1.00 0.00 H new ATOM 1111 N ALA B 12 -1.137 -8.053 -0.636 1.00 0.00 N ATOM 1112 CA ALA B 12 -1.087 -7.471 -1.975 1.00 0.00 C ATOM 1113 C ALA B 12 -0.766 -6.011 -1.901 1.00 0.00 C ATOM 1114 O ALA B 12 0.060 -5.537 -2.670 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.413 -7.666 -2.710 1.00 0.00 C ATOM 0 H ALA B 12 -2.064 -8.360 -0.342 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.302 -7.985 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.347 -7.223 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.625 -8.731 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.214 -7.183 -2.150 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.363 -5.317 -0.941 1.00 0.00 N ATOM 1122 CA ILE B 13 -1.067 -3.912 -0.760 1.00 0.00 C ATOM 1123 C ILE B 13 0.432 -3.836 -0.539 1.00 0.00 C ATOM 1124 O ILE B 13 1.090 -2.913 -0.976 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.830 -3.356 0.460 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.345 -3.482 0.254 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.513 -1.878 0.644 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -4.048 -3.507 1.597 1.00 0.00 C ATOM 0 H ILE B 13 -2.045 -5.702 -0.287 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.373 -3.318 -1.621 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.521 -3.930 1.334 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.711 -2.646 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.571 -4.392 -0.301 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -2.056 -1.494 1.508 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.442 -1.753 0.804 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.814 -1.328 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -5.123 -3.597 1.443 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.692 -4.358 2.178 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.834 -2.584 2.137 1.00 0.00 H new ATOM 1140 N GLY B 14 0.947 -4.880 0.107 1.00 0.00 N ATOM 1141 CA GLY B 14 2.373 -5.014 0.368 1.00 0.00 C ATOM 1142 C GLY B 14 3.165 -5.297 -0.907 1.00 0.00 C ATOM 1143 O GLY B 14 4.258 -4.768 -1.086 1.00 0.00 O ATOM 0 H GLY B 14 0.386 -5.654 0.463 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.744 -4.099 0.830 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.536 -5.821 1.083 1.00 0.00 H new ATOM 1147 N GLU B 15 2.621 -6.148 -1.783 1.00 0.00 N ATOM 1148 CA GLU B 15 3.315 -6.514 -3.013 1.00 0.00 C ATOM 1149 C GLU B 15 3.498 -5.303 -3.880 1.00 0.00 C ATOM 1150 O GLU B 15 4.567 -5.108 -4.449 1.00 0.00 O ATOM 1151 CB GLU B 15 2.511 -7.552 -3.786 1.00 0.00 C ATOM 1152 CG GLU B 15 3.425 -8.356 -4.730 1.00 0.00 C ATOM 1153 CD GLU B 15 3.499 -9.812 -4.270 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.316 -10.099 -3.408 1.00 0.00 O ATOM 1155 OE2 GLU B 15 2.736 -10.616 -4.779 1.00 0.00 O ATOM 0 H GLU B 15 1.710 -6.591 -1.661 1.00 0.00 H new ATOM 0 HA GLU B 15 4.287 -6.929 -2.746 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.015 -8.228 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.729 -7.058 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.042 -8.307 -5.749 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.423 -7.919 -4.743 1.00 0.00 H new ATOM 1162 N ILE B 16 2.455 -4.483 -3.980 1.00 0.00 N ATOM 1163 CA ILE B 16 2.578 -3.282 -4.817 1.00 0.00 C ATOM 1164 C ILE B 16 3.749 -2.444 -4.303 1.00 0.00 C ATOM 1165 O ILE B 16 4.628 -2.026 -5.060 1.00 0.00 O ATOM 1166 CB ILE B 16 1.327 -2.372 -4.757 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.018 -3.171 -4.698 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.306 -1.461 -5.988 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.179 -3.968 -5.973 1.00 0.00 C ATOM 0 H ILE B 16 1.554 -4.612 -3.519 1.00 0.00 H new ATOM 0 HA ILE B 16 2.715 -3.627 -5.842 1.00 0.00 H new ATOM 0 HB ILE B 16 1.394 -1.786 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.035 -3.844 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.822 -2.492 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.427 -0.818 -5.950 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.205 -0.845 -6.000 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.271 -2.070 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.112 -4.528 -5.912 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.219 -3.289 -6.824 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.652 -4.662 -6.101 1.00 0.00 H new ATOM 1181 N MET B 17 3.725 -2.216 -2.997 1.00 0.00 N ATOM 1182 CA MET B 17 4.743 -1.441 -2.300 1.00 0.00 C ATOM 1183 C MET B 17 6.124 -2.110 -2.406 1.00 0.00 C ATOM 1184 O MET B 17 7.149 -1.427 -2.356 1.00 0.00 O ATOM 1185 CB MET B 17 4.309 -1.276 -0.851 1.00 0.00 C ATOM 1186 CG MET B 17 2.894 -0.685 -0.815 1.00 0.00 C ATOM 1187 SD MET B 17 2.927 1.007 -1.411 1.00 0.00 S ATOM 1188 CE MET B 17 3.980 1.653 -0.109 1.00 0.00 C ATOM 0 H MET B 17 2.989 -2.568 -2.384 1.00 0.00 H new ATOM 0 HA MET B 17 4.841 -0.459 -2.763 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.327 -2.239 -0.341 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.003 -0.622 -0.323 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.224 -1.284 -1.431 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.503 -0.714 0.202 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.544 2.569 0.290 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.067 0.915 0.688 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.969 1.868 -0.514 1.00 0.00 H new ATOM 1198 N ARG B 18 6.150 -3.441 -2.570 1.00 0.00 N ATOM 1199 CA ARG B 18 7.418 -4.164 -2.716 1.00 0.00 C ATOM 1200 C ARG B 18 8.062 -3.840 -4.060 1.00 0.00 C ATOM 1201 O ARG B 18 9.282 -3.699 -4.156 1.00 0.00 O ATOM 1202 CB ARG B 18 7.196 -5.671 -2.645 1.00 0.00 C ATOM 1203 CG ARG B 18 6.851 -6.105 -1.219 1.00 0.00 C ATOM 1204 CD ARG B 18 8.070 -6.736 -0.537 1.00 0.00 C ATOM 1205 NE ARG B 18 8.317 -8.076 -1.068 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.523 -9.098 -0.764 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.776 -9.833 0.282 1.00 0.00 N ATOM 1208 NH2 ARG B 18 6.489 -9.364 -1.511 1.00 0.00 N ATOM 0 H ARG B 18 5.318 -4.030 -2.604 1.00 0.00 H new ATOM 0 HA ARG B 18 8.070 -3.850 -1.901 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.390 -5.956 -3.321 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.093 -6.191 -2.981 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.511 -5.244 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.029 -6.820 -1.240 1.00 0.00 H new ATOM 0 HD2 ARG B 18 8.947 -6.109 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG B 18 7.905 -6.789 0.539 1.00 0.00 H new ATOM 0 HE ARG B 18 9.115 -8.230 -1.684 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.584 -9.624 0.869 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.166 -10.617 0.514 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.289 -8.788 -2.329 1.00 0.00 H new ATOM 0 HH22 ARG B 18 5.880 -10.148 -1.278 1.00 0.00 H new ATOM 1222 N LEU B 19 7.219 -3.746 -5.095 1.00 0.00 N ATOM 1223 CA LEU B 19 7.680 -3.462 -6.455 1.00 0.00 C ATOM 1224 C LEU B 19 8.438 -2.139 -6.520 1.00 0.00 C ATOM 1225 O LEU B 19 7.841 -1.073 -6.390 1.00 0.00 O ATOM 1226 CB LEU B 19 6.485 -3.394 -7.413 1.00 0.00 C ATOM 1227 CG LEU B 19 5.697 -4.711 -7.439 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.434 -4.544 -8.281 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.537 -5.812 -8.055 1.00 0.00 C ATOM 0 H LEU B 19 6.209 -3.864 -5.013 1.00 0.00 H new ATOM 0 HA LEU B 19 8.352 -4.268 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.824 -2.581 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.838 -3.162 -8.418 1.00 0.00 H new ATOM 0 HG LEU B 19 5.435 -4.973 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.880 -5.482 -8.295 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.810 -3.761 -7.850 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.709 -4.270 -9.299 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.967 -6.741 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.806 -5.537 -9.075 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.444 -5.951 -7.466 1.00 0.00 H new ATOM 1241 N PRO B 20 9.737 -2.184 -6.731 1.00 0.00 N ATOM 1242 CA PRO B 20 10.579 -0.962 -6.823 1.00 0.00 C ATOM 1243 C PRO B 20 10.457 -0.249 -8.177 1.00 0.00 C ATOM 1244 O PRO B 20 10.959 0.865 -8.338 1.00 0.00 O ATOM 1245 CB PRO B 20 12.009 -1.483 -6.604 1.00 0.00 C ATOM 1246 CG PRO B 20 11.917 -2.958 -6.387 1.00 0.00 C ATOM 1247 CD PRO B 20 10.560 -3.391 -6.907 1.00 0.00 C ATOM 0 HA PRO B 20 10.273 -0.212 -6.093 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.635 -1.260 -7.468 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.468 -0.996 -5.743 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.717 -3.477 -6.914 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.022 -3.201 -5.330 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.607 -3.698 -7.952 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.163 -4.236 -6.344 1.00 0.00 H new ATOM 1255 N ASN B 21 9.803 -0.899 -9.144 1.00 0.00 N ATOM 1256 CA ASN B 21 9.639 -0.320 -10.482 1.00 0.00 C ATOM 1257 C ASN B 21 8.364 0.513 -10.566 1.00 0.00 C ATOM 1258 O ASN B 21 8.270 1.423 -11.393 1.00 0.00 O ATOM 1259 CB ASN B 21 9.589 -1.408 -11.572 1.00 0.00 C ATOM 1260 CG ASN B 21 10.003 -2.778 -11.041 1.00 0.00 C ATOM 1261 OD1 ASN B 21 9.474 -3.252 -10.036 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.906 -3.457 -11.683 1.00 0.00 N ATOM 0 H ASN B 21 9.381 -1.820 -9.028 1.00 0.00 H new ATOM 0 HA ASN B 21 10.507 0.316 -10.654 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.579 -1.468 -11.977 1.00 0.00 H new ATOM 0 HB3 ASN B 21 10.246 -1.126 -12.395 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.177 -4.384 -11.354 1.00 0.00 H new ATOM 0 HD22 ASN B 21 11.344 -3.063 -12.516 1.00 0.00 H new ATOM 1269 N LEU B 22 7.375 0.189 -9.725 1.00 0.00 N ATOM 1270 CA LEU B 22 6.107 0.914 -9.749 1.00 0.00 C ATOM 1271 C LEU B 22 6.259 2.340 -9.252 1.00 0.00 C ATOM 1272 O LEU B 22 7.127 2.652 -8.436 1.00 0.00 O ATOM 1273 CB LEU B 22 5.030 0.232 -8.883 1.00 0.00 C ATOM 1274 CG LEU B 22 4.718 -1.190 -9.349 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.382 -1.648 -8.748 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.607 -1.224 -10.850 1.00 0.00 C ATOM 0 H LEU B 22 7.429 -0.558 -9.032 1.00 0.00 H new ATOM 0 HA LEU B 22 5.796 0.913 -10.794 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.365 0.206 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.117 0.828 -8.908 1.00 0.00 H new ATOM 0 HG LEU B 22 5.521 -1.851 -9.023 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.162 -2.662 -9.082 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.447 -1.630 -7.660 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.587 -0.978 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.385 -2.240 -11.175 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.807 -0.557 -11.171 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.549 -0.900 -11.292 1.00 0.00 H new ATOM 1288 N ASN B 23 5.359 3.182 -9.736 1.00 0.00 N ATOM 1289 CA ASN B 23 5.304 4.576 -9.344 1.00 0.00 C ATOM 1290 C ASN B 23 4.419 4.666 -8.105 1.00 0.00 C ATOM 1291 O ASN B 23 3.568 3.803 -7.902 1.00 0.00 O ATOM 1292 CB ASN B 23 4.725 5.363 -10.541 1.00 0.00 C ATOM 1293 CG ASN B 23 3.775 6.475 -10.137 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.641 6.517 -10.598 1.00 0.00 O ATOM 1295 ND2 ASN B 23 4.178 7.396 -9.328 1.00 0.00 N ATOM 0 H ASN B 23 4.645 2.914 -10.414 1.00 0.00 H new ATOM 0 HA ASN B 23 6.279 4.995 -9.096 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.547 5.790 -11.116 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.201 4.671 -11.200 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.552 8.160 -9.072 1.00 0.00 H new ATOM 0 HD22 ASN B 23 5.122 7.360 -8.944 1.00 0.00 H new ATOM 1302 N SER B 24 4.600 5.695 -7.281 1.00 0.00 N ATOM 1303 CA SER B 24 3.778 5.829 -6.080 1.00 0.00 C ATOM 1304 C SER B 24 2.312 5.914 -6.477 1.00 0.00 C ATOM 1305 O SER B 24 1.455 5.267 -5.879 1.00 0.00 O ATOM 1306 CB SER B 24 4.181 7.067 -5.293 1.00 0.00 C ATOM 1307 OG SER B 24 3.686 6.963 -3.963 1.00 0.00 O ATOM 0 H SER B 24 5.291 6.433 -7.417 1.00 0.00 H new ATOM 0 HA SER B 24 3.931 4.956 -5.446 1.00 0.00 H new ATOM 0 HB2 SER B 24 5.266 7.167 -5.282 1.00 0.00 H new ATOM 0 HB3 SER B 24 3.783 7.962 -5.772 1.00 0.00 H new ATOM 0 HG SER B 24 4.135 7.623 -3.394 1.00 0.00 H new ATOM 1313 N LEU B 25 2.049 6.696 -7.520 1.00 0.00 N ATOM 1314 CA LEU B 25 0.702 6.850 -8.040 1.00 0.00 C ATOM 1315 C LEU B 25 0.219 5.544 -8.662 1.00 0.00 C ATOM 1316 O LEU B 25 -0.945 5.175 -8.500 1.00 0.00 O ATOM 1317 CB LEU B 25 0.649 7.991 -9.070 1.00 0.00 C ATOM 1318 CG LEU B 25 0.060 9.238 -8.436 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.004 10.372 -9.467 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.338 8.901 -7.933 1.00 0.00 C ATOM 0 H LEU B 25 2.757 7.233 -8.021 1.00 0.00 H new ATOM 0 HA LEU B 25 0.039 7.104 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.651 8.202 -9.443 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.047 7.690 -9.927 1.00 0.00 H new ATOM 0 HG LEU B 25 0.684 9.570 -7.606 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.428 11.262 -9.003 1.00 0.00 H new ATOM 0 HD12 LEU B 25 1.001 10.594 -9.827 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.630 10.067 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.782 9.784 -7.473 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.958 8.578 -8.770 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.276 8.100 -7.196 1.00 0.00 H new ATOM 1332 N GLN B 26 1.126 4.829 -9.337 1.00 0.00 N ATOM 1333 CA GLN B 26 0.777 3.544 -9.934 1.00 0.00 C ATOM 1334 C GLN B 26 0.419 2.580 -8.828 1.00 0.00 C ATOM 1335 O GLN B 26 -0.513 1.786 -8.938 1.00 0.00 O ATOM 1336 CB GLN B 26 1.968 2.953 -10.686 1.00 0.00 C ATOM 1337 CG GLN B 26 2.134 3.589 -12.065 1.00 0.00 C ATOM 1338 CD GLN B 26 3.337 2.973 -12.774 1.00 0.00 C ATOM 1339 OE1 GLN B 26 4.073 2.092 -12.150 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.615 3.301 -13.926 1.00 0.00 N flip ATOM 0 H GLN B 26 2.094 5.117 -9.480 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.053 3.698 -10.623 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.877 3.103 -10.104 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.833 1.877 -10.795 1.00 0.00 H new ATOM 0 HG2 GLN B 26 1.232 3.435 -12.658 1.00 0.00 H new ATOM 0 HG3 GLN B 26 2.270 4.666 -11.965 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.040 3.989 -14.413 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.420 2.885 -14.394 1.00 0.00 H new ATOM 1349 N VAL B 27 1.188 2.680 -7.757 1.00 0.00 N ATOM 1350 CA VAL B 27 1.003 1.846 -6.596 1.00 0.00 C ATOM 1351 C VAL B 27 -0.339 2.144 -5.975 1.00 0.00 C ATOM 1352 O VAL B 27 -1.113 1.235 -5.709 1.00 0.00 O ATOM 1353 CB VAL B 27 2.180 2.064 -5.639 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.891 1.481 -4.252 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.404 1.367 -6.245 1.00 0.00 C ATOM 0 H VAL B 27 1.957 3.345 -7.674 1.00 0.00 H new ATOM 0 HA VAL B 27 0.995 0.789 -6.862 1.00 0.00 H new ATOM 0 HB VAL B 27 2.353 3.133 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.747 1.654 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL B 27 1.010 1.965 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.711 0.409 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.263 1.503 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.198 0.303 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.623 1.800 -7.221 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.636 3.426 -5.820 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.917 3.840 -5.309 1.00 0.00 C ATOM 1367 C VAL B 28 -3.005 3.333 -6.260 1.00 0.00 C ATOM 1368 O VAL B 28 -4.094 2.979 -5.831 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.973 5.369 -5.195 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.352 5.778 -4.668 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.877 5.863 -4.231 1.00 0.00 C ATOM 0 H VAL B 28 -0.001 4.192 -6.044 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.074 3.423 -4.314 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.806 5.817 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.402 6.864 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.122 5.432 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.515 5.330 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.922 6.949 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.034 5.423 -3.246 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.101 5.566 -4.610 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.682 3.290 -7.558 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.621 2.812 -8.565 1.00 0.00 C ATOM 1383 C ALA B 29 -4.017 1.382 -8.243 1.00 0.00 C ATOM 1384 O ALA B 29 -5.198 1.026 -8.290 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.966 2.866 -9.955 1.00 0.00 C ATOM 0 H ALA B 29 -1.778 3.581 -7.930 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.508 3.446 -8.564 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.672 2.508 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.684 3.893 -10.185 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.077 2.235 -9.963 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.017 0.572 -7.897 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.239 -0.792 -7.552 1.00 0.00 C ATOM 1393 C PHE B 30 -3.874 -0.887 -6.169 1.00 0.00 C ATOM 1394 O PHE B 30 -4.852 -1.598 -6.004 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.890 -1.524 -7.628 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.371 -1.460 -9.059 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.186 -1.877 -10.128 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.089 -0.943 -9.330 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.725 -1.773 -11.436 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.364 -0.850 -10.642 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.456 -1.262 -11.696 1.00 0.00 C ATOM 0 H PHE B 30 -2.040 0.862 -7.854 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.935 -1.264 -8.246 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.174 -1.065 -6.947 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.007 -2.562 -7.316 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.170 -2.278 -9.933 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.544 -0.618 -8.517 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.354 -2.090 -12.254 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.350 -0.459 -10.846 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.105 -1.184 -12.714 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.356 -0.127 -5.193 1.00 0.00 N ATOM 1412 CA ILE B 31 -3.921 -0.149 -3.837 1.00 0.00 C ATOM 1413 C ILE B 31 -5.398 0.226 -3.891 1.00 0.00 C ATOM 1414 O ILE B 31 -6.248 -0.467 -3.338 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.174 0.837 -2.919 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.693 0.438 -2.781 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.814 0.829 -1.523 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -0.909 1.614 -2.182 1.00 0.00 C ATOM 0 H ILE B 31 -2.561 0.500 -5.314 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.810 -1.155 -3.432 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.240 1.831 -3.362 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.598 -0.441 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.283 0.170 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.284 1.527 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.859 1.128 -1.600 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.754 -0.174 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.141 1.338 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.995 2.480 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.315 1.860 -1.201 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.692 1.310 -4.590 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.063 1.765 -4.750 1.00 0.00 C ATOM 1432 C ASN B 32 -7.900 0.678 -5.428 1.00 0.00 C ATOM 1433 O ASN B 32 -9.096 0.568 -5.174 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.090 3.043 -5.596 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.427 3.770 -5.460 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.386 3.246 -4.892 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.536 4.970 -5.950 1.00 0.00 N ATOM 0 H ASN B 32 -4.997 1.893 -5.057 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.484 1.976 -3.767 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.281 3.704 -5.286 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.914 2.793 -6.642 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.416 5.478 -5.864 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.741 5.403 -6.420 1.00 0.00 H new ATOM 1444 N SER B 33 -7.258 -0.140 -6.278 1.00 0.00 N ATOM 1445 CA SER B 33 -7.950 -1.208 -6.954 1.00 0.00 C ATOM 1446 C SER B 33 -8.141 -2.373 -5.982 1.00 0.00 C ATOM 1447 O SER B 33 -9.138 -3.088 -6.064 1.00 0.00 O ATOM 1448 CB SER B 33 -7.224 -1.587 -8.241 1.00 0.00 C ATOM 1449 OG SER B 33 -7.562 -0.653 -9.259 1.00 0.00 O ATOM 0 H SER B 33 -6.265 -0.069 -6.501 1.00 0.00 H new ATOM 0 HA SER B 33 -8.944 -0.886 -7.266 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.146 -1.591 -8.077 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.504 -2.595 -8.548 1.00 0.00 H new ATOM 0 HG SER B 33 -6.946 0.109 -9.222 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.220 -2.507 -5.003 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.379 -3.533 -3.962 1.00 0.00 C ATOM 1457 C LEU B 34 -8.663 -3.155 -3.234 1.00 0.00 C ATOM 1458 O LEU B 34 -9.527 -3.985 -2.955 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.189 -3.524 -2.964 1.00 0.00 C ATOM 1460 CG LEU B 34 -4.857 -3.722 -3.709 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -3.671 -3.677 -2.761 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -4.858 -5.065 -4.380 1.00 0.00 C ATOM 0 H LEU B 34 -6.382 -1.932 -4.916 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.412 -4.533 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.171 -2.580 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.320 -4.315 -2.226 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.763 -2.914 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.749 -3.821 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.643 -2.710 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.769 -4.468 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.916 -5.208 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.975 -5.847 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.684 -5.117 -5.090 1.00 0.00 H new ATOM 1474 N ARG B 35 -8.767 -1.847 -3.010 1.00 0.00 N ATOM 1475 CA ARG B 35 -9.943 -1.214 -2.393 1.00 0.00 C ATOM 1476 C ARG B 35 -11.184 -1.470 -3.239 1.00 0.00 C ATOM 1477 O ARG B 35 -12.234 -1.865 -2.728 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.688 0.309 -2.336 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.019 0.900 -0.955 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.917 1.886 -0.540 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.723 1.860 0.904 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.490 2.580 1.712 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.623 2.097 2.133 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.109 3.770 2.082 1.00 0.00 N ATOM 0 H ARG B 35 -8.031 -1.184 -3.253 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.102 -1.626 -1.396 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.644 0.510 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.291 0.806 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.983 1.408 -0.987 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.104 0.102 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.984 1.630 -1.042 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.184 2.894 -0.858 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.985 1.278 1.300 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.920 1.166 1.842 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.214 2.650 2.754 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.221 4.147 1.750 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.698 4.324 2.703 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.036 -1.230 -4.539 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.118 -1.412 -5.496 1.00 0.00 C ATOM 1500 C ASP B 36 -12.561 -2.870 -5.548 1.00 0.00 C ATOM 1501 O ASP B 36 -13.751 -3.163 -5.674 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.636 -0.972 -6.886 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.320 0.534 -6.923 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -11.833 1.266 -6.088 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.559 0.932 -7.789 1.00 0.00 O ATOM 0 H ASP B 36 -10.164 -0.905 -4.956 1.00 0.00 H new ATOM 0 HA ASP B 36 -12.969 -0.807 -5.183 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.746 -1.538 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.401 -1.203 -7.627 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.587 -3.775 -5.465 1.00 0.00 N ATOM 1511 CA ASP B 37 -11.866 -5.208 -5.519 1.00 0.00 C ATOM 1512 C ASP B 37 -10.861 -5.982 -4.672 1.00 0.00 C ATOM 1513 O ASP B 37 -9.774 -6.337 -5.138 1.00 0.00 O ATOM 1514 CB ASP B 37 -11.834 -5.715 -6.977 1.00 0.00 C ATOM 1515 CG ASP B 37 -11.962 -4.561 -7.973 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -10.941 -3.986 -8.319 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.076 -4.269 -8.374 1.00 0.00 O ATOM 0 H ASP B 37 -10.600 -3.541 -5.360 1.00 0.00 H new ATOM 0 HA ASP B 37 -12.865 -5.374 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -10.902 -6.251 -7.157 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.646 -6.425 -7.135 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.212 -6.258 -3.438 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.332 -7.020 -2.522 1.00 0.00 C ATOM 1524 C PRO B 38 -10.154 -8.461 -2.987 1.00 0.00 C ATOM 1525 O PRO B 38 -9.092 -9.057 -2.808 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.028 -6.975 -1.167 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.286 -6.180 -1.320 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.482 -5.875 -2.800 1.00 0.00 C ATOM 0 HA PRO B 38 -9.331 -6.590 -2.485 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.254 -7.984 -0.821 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.378 -6.520 -0.420 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.138 -6.738 -0.931 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.223 -5.255 -0.747 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.317 -6.441 -3.212 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.702 -4.819 -2.960 1.00 0.00 H new ATOM 1536 N SER B 39 -11.207 -9.002 -3.606 1.00 0.00 N ATOM 1537 CA SER B 39 -11.171 -10.362 -4.122 1.00 0.00 C ATOM 1538 C SER B 39 -10.151 -10.436 -5.244 1.00 0.00 C ATOM 1539 O SER B 39 -9.410 -11.414 -5.365 1.00 0.00 O ATOM 1540 CB SER B 39 -12.553 -10.766 -4.641 1.00 0.00 C ATOM 1541 OG SER B 39 -13.511 -10.604 -3.601 1.00 0.00 O ATOM 0 H SER B 39 -12.090 -8.516 -3.759 1.00 0.00 H new ATOM 0 HA SER B 39 -10.889 -11.048 -3.324 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.825 -10.153 -5.500 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.539 -11.802 -4.980 1.00 0.00 H new ATOM 0 HG SER B 39 -14.398 -10.860 -3.930 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.113 -9.369 -6.050 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.177 -9.285 -7.154 1.00 0.00 C ATOM 1549 C GLN B 40 -7.952 -8.489 -6.747 1.00 0.00 C ATOM 1550 O GLN B 40 -7.246 -7.965 -7.604 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.817 -8.668 -8.409 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.352 -8.732 -8.341 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.959 -8.009 -9.541 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.477 -6.854 -9.902 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -12.891 -8.513 -10.166 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.723 -8.557 -5.951 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.879 -10.303 -7.405 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.498 -7.631 -8.510 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.468 -9.197 -9.296 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.681 -9.771 -8.328 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.703 -8.275 -7.415 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.266 -9.418 -9.881 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.289 -8.026 -10.969 1.00 0.00 H new ATOM 1564 N SER B 41 -7.674 -8.416 -5.438 1.00 0.00 N ATOM 1565 CA SER B 41 -6.496 -7.701 -4.977 1.00 0.00 C ATOM 1566 C SER B 41 -5.270 -8.250 -5.689 1.00 0.00 C ATOM 1567 O SER B 41 -4.322 -7.529 -5.977 1.00 0.00 O ATOM 1568 CB SER B 41 -6.332 -7.889 -3.470 1.00 0.00 C ATOM 1569 OG SER B 41 -7.189 -6.991 -2.786 1.00 0.00 O ATOM 0 H SER B 41 -8.240 -8.836 -4.701 1.00 0.00 H new ATOM 0 HA SER B 41 -6.608 -6.639 -5.196 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.568 -8.916 -3.193 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.296 -7.711 -3.181 1.00 0.00 H new ATOM 0 HG SER B 41 -7.512 -7.411 -1.962 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.335 -9.537 -5.982 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.275 -10.235 -6.682 1.00 0.00 C ATOM 1577 C ALA B 42 -4.245 -9.842 -8.159 1.00 0.00 C ATOM 1578 O ALA B 42 -3.213 -9.960 -8.810 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.536 -11.734 -6.573 1.00 0.00 C ATOM 0 H ALA B 42 -6.129 -10.129 -5.739 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.317 -9.970 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.749 -12.279 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.546 -12.026 -5.523 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.500 -11.969 -7.024 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.405 -9.418 -8.674 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.566 -9.045 -10.076 1.00 0.00 C ATOM 1587 C ASN B 43 -4.867 -7.747 -10.427 1.00 0.00 C ATOM 1588 O ASN B 43 -4.064 -7.702 -11.353 1.00 0.00 O ATOM 1589 CB ASN B 43 -7.035 -8.880 -10.356 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.307 -8.937 -11.857 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.922 -7.951 -12.618 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.877 -9.910 -12.350 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.259 -9.325 -8.124 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.116 -9.834 -10.679 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.597 -9.664 -9.849 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.382 -7.928 -9.954 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.178 -10.681 -11.754 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -8.049 -9.945 -13.355 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.172 -6.692 -9.681 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.550 -5.421 -9.934 1.00 0.00 C ATOM 1601 C LEU B 44 -3.119 -5.510 -9.437 1.00 0.00 C ATOM 1602 O LEU B 44 -2.215 -4.874 -9.959 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.378 -4.228 -9.375 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.466 -4.176 -7.853 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.357 -5.283 -7.350 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.092 -4.214 -7.219 1.00 0.00 C ATOM 0 H LEU B 44 -5.838 -6.701 -8.909 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.523 -5.203 -11.002 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.937 -3.297 -9.733 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.387 -4.280 -9.783 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.914 -3.227 -7.560 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.414 -5.238 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.356 -5.166 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.946 -6.246 -7.652 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.191 -4.175 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.585 -5.136 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.510 -3.358 -7.561 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.907 -6.370 -8.446 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.577 -6.610 -7.961 1.00 0.00 C ATOM 1620 C LEU B 45 -0.844 -7.279 -9.099 1.00 0.00 C ATOM 1621 O LEU B 45 0.311 -6.995 -9.374 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.621 -7.522 -6.748 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.205 -7.901 -6.324 1.00 0.00 C ATOM 1624 CD1 LEU B 45 -0.239 -8.310 -4.869 1.00 0.00 C ATOM 1625 CD2 LEU B 45 0.313 -9.059 -7.180 1.00 0.00 C ATOM 0 H LEU B 45 -3.639 -6.902 -7.975 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.083 -5.688 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -2.133 -7.022 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.192 -8.421 -6.980 1.00 0.00 H new ATOM 0 HG LEU B 45 0.463 -7.051 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU B 45 0.765 -8.585 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -0.600 -7.477 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -0.907 -9.163 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU B 45 1.324 -9.319 -6.867 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.339 -9.924 -7.056 1.00 0.00 H new ATOM 0 HD23 LEU B 45 0.323 -8.760 -8.228 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.586 -8.141 -9.788 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.065 -8.841 -10.952 1.00 0.00 C ATOM 1639 C ALA B 46 -0.667 -7.778 -11.959 1.00 0.00 C ATOM 1640 O ALA B 46 0.401 -7.837 -12.565 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.142 -9.763 -11.547 1.00 0.00 C ATOM 0 H ALA B 46 -2.553 -8.370 -9.557 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.212 -9.464 -10.684 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.738 -10.280 -12.417 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.448 -10.495 -10.799 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -3.005 -9.168 -11.847 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.534 -6.769 -12.059 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.298 -5.625 -12.911 1.00 0.00 C ATOM 1649 C GLU B 47 -0.071 -4.880 -12.407 1.00 0.00 C ATOM 1650 O GLU B 47 0.654 -4.264 -13.181 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.499 -4.657 -12.893 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.740 -5.285 -13.515 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.472 -5.718 -14.959 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.097 -4.869 -15.756 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.632 -6.893 -15.244 1.00 0.00 O ATOM 0 H GLU B 47 -2.416 -6.731 -11.548 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.150 -5.981 -13.930 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.715 -4.365 -11.865 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.241 -3.747 -13.435 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.050 -6.147 -12.925 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.563 -4.571 -13.493 1.00 0.00 H new ATOM 1662 N ALA B 48 0.127 -4.917 -11.085 1.00 0.00 N ATOM 1663 CA ALA B 48 1.230 -4.224 -10.459 1.00 0.00 C ATOM 1664 C ALA B 48 2.539 -4.913 -10.726 1.00 0.00 C ATOM 1665 O ALA B 48 3.492 -4.285 -11.141 1.00 0.00 O ATOM 1666 CB ALA B 48 0.997 -4.243 -8.966 1.00 0.00 C ATOM 0 H ALA B 48 -0.472 -5.426 -10.435 1.00 0.00 H new ATOM 0 HA ALA B 48 1.280 -3.212 -10.861 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.815 -3.726 -8.464 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.056 -3.742 -8.738 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.952 -5.275 -8.618 1.00 0.00 H new ATOM 1672 N LYS B 49 2.557 -6.214 -10.508 1.00 0.00 N ATOM 1673 CA LYS B 49 3.743 -7.008 -10.749 1.00 0.00 C ATOM 1674 C LYS B 49 4.057 -6.939 -12.232 1.00 0.00 C ATOM 1675 O LYS B 49 5.211 -6.903 -12.637 1.00 0.00 O ATOM 1676 CB LYS B 49 3.492 -8.435 -10.267 1.00 0.00 C ATOM 1677 CG LYS B 49 3.522 -8.491 -8.736 1.00 0.00 C ATOM 1678 CD LYS B 49 3.530 -9.958 -8.269 1.00 0.00 C ATOM 1679 CE LYS B 49 2.366 -10.745 -8.894 1.00 0.00 C ATOM 1680 NZ LYS B 49 2.882 -11.589 -10.010 1.00 0.00 N ATOM 0 H LYS B 49 1.758 -6.745 -10.162 1.00 0.00 H new ATOM 0 HA LYS B 49 4.605 -6.630 -10.199 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.526 -8.785 -10.632 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.249 -9.103 -10.677 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.406 -7.975 -8.361 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.654 -7.974 -8.327 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.476 -10.425 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.457 -9.997 -7.182 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.890 -11.371 -8.140 1.00 0.00 H new ATOM 0 HE3 LYS B 49 1.605 -10.058 -9.265 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 2.176 -11.626 -10.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 3.765 -11.179 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 3.065 -12.551 -9.661 1.00 0.00 H new ATOM 1694 N LYS B 50 2.993 -6.853 -13.025 1.00 0.00 N ATOM 1695 CA LYS B 50 3.110 -6.708 -14.462 1.00 0.00 C ATOM 1696 C LYS B 50 3.687 -5.339 -14.783 1.00 0.00 C ATOM 1697 O LYS B 50 4.540 -5.210 -15.652 1.00 0.00 O ATOM 1698 CB LYS B 50 1.738 -6.858 -15.091 1.00 0.00 C ATOM 1699 CG LYS B 50 1.841 -6.855 -16.619 1.00 0.00 C ATOM 1700 CD LYS B 50 0.513 -7.336 -17.216 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.628 -6.355 -16.895 1.00 0.00 C ATOM 1702 NZ LYS B 50 -0.158 -4.945 -17.029 1.00 0.00 N ATOM 0 H LYS B 50 2.032 -6.882 -12.686 1.00 0.00 H new ATOM 0 HA LYS B 50 3.772 -7.476 -14.862 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.277 -7.787 -14.754 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.091 -6.044 -14.763 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.072 -5.852 -16.978 1.00 0.00 H new ATOM 0 HG3 LYS B 50 2.655 -7.504 -16.942 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.613 -7.440 -18.296 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.270 -8.323 -16.822 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -1.467 -6.531 -17.569 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.991 -6.529 -15.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -0.975 -4.320 -17.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 0.339 -4.661 -16.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 0.490 -4.871 -17.839 1.00 0.00 H new ATOM 1716 N LEU B 51 3.222 -4.319 -14.054 1.00 0.00 N ATOM 1717 CA LEU B 51 3.725 -2.962 -14.252 1.00 0.00 C ATOM 1718 C LEU B 51 5.155 -2.902 -13.789 1.00 0.00 C ATOM 1719 O LEU B 51 6.011 -2.289 -14.427 1.00 0.00 O ATOM 1720 CB LEU B 51 2.879 -1.947 -13.476 1.00 0.00 C ATOM 1721 CG LEU B 51 2.014 -1.154 -14.451 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.906 -0.169 -15.222 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.306 -2.120 -15.420 1.00 0.00 C ATOM 0 H LEU B 51 2.508 -4.408 -13.331 1.00 0.00 H new ATOM 0 HA LEU B 51 3.665 -2.709 -15.311 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.249 -2.462 -12.750 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.525 -1.272 -12.915 1.00 0.00 H new ATOM 0 HG LEU B 51 1.253 -0.595 -13.907 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.296 0.403 -15.922 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.388 0.512 -14.520 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.668 -0.722 -15.772 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.689 -1.551 -16.115 1.00 0.00 H new ATOM 0 HD22 LEU B 51 2.051 -2.687 -15.977 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.676 -2.806 -14.854 1.00 0.00 H new ATOM 1735 N ASN B 52 5.405 -3.603 -12.696 1.00 0.00 N ATOM 1736 CA ASN B 52 6.744 -3.706 -12.158 1.00 0.00 C ATOM 1737 C ASN B 52 7.579 -4.333 -13.242 1.00 0.00 C ATOM 1738 O ASN B 52 8.699 -3.911 -13.528 1.00 0.00 O ATOM 1739 CB ASN B 52 6.737 -4.576 -10.886 1.00 0.00 C ATOM 1740 CG ASN B 52 7.616 -5.828 -11.015 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.885 -5.695 -11.237 1.00 0.00 O flip ATOM 1742 ND2 ASN B 52 7.129 -6.951 -10.901 1.00 0.00 N flip ATOM 0 H ASN B 52 4.695 -4.108 -12.166 1.00 0.00 H new ATOM 0 HA ASN B 52 7.145 -2.733 -11.873 1.00 0.00 H new ATOM 0 HB2 ASN B 52 7.084 -3.980 -10.042 1.00 0.00 H new ATOM 0 HB3 ASN B 52 5.713 -4.878 -10.664 1.00 0.00 H new ATOM 0 HD21 ASN B 52 6.130 -7.058 -10.726 1.00 0.00 H new ATOM 0 HD22 ASN B 52 7.724 -7.776 -10.981 1.00 0.00 H new ATOM 1749 N ASP B 53 6.969 -5.336 -13.859 1.00 0.00 N ATOM 1750 CA ASP B 53 7.607 -6.046 -14.962 1.00 0.00 C ATOM 1751 C ASP B 53 7.771 -5.108 -16.159 1.00 0.00 C ATOM 1752 O ASP B 53 8.752 -5.189 -16.902 1.00 0.00 O ATOM 1753 CB ASP B 53 6.772 -7.265 -15.379 1.00 0.00 C ATOM 1754 CG ASP B 53 7.677 -8.333 -15.991 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.111 -8.144 -17.117 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.925 -9.323 -15.323 1.00 0.00 O ATOM 0 H ASP B 53 6.038 -5.676 -13.617 1.00 0.00 H new ATOM 0 HA ASP B 53 8.586 -6.389 -14.628 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.250 -7.672 -14.513 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.010 -6.966 -16.099 1.00 0.00 H new ATOM 1761 N ALA B 54 6.783 -4.229 -16.336 1.00 0.00 N ATOM 1762 CA ALA B 54 6.773 -3.274 -17.437 1.00 0.00 C ATOM 1763 C ALA B 54 7.890 -2.245 -17.291 1.00 0.00 C ATOM 1764 O ALA B 54 8.512 -1.850 -18.280 1.00 0.00 O ATOM 1765 CB ALA B 54 5.418 -2.565 -17.473 1.00 0.00 C ATOM 0 H ALA B 54 5.972 -4.162 -15.721 1.00 0.00 H new ATOM 0 HA ALA B 54 6.938 -3.817 -18.368 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.404 -1.849 -18.295 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.626 -3.300 -17.619 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.257 -2.040 -16.531 1.00 0.00 H new ATOM 1771 N GLN B 55 8.135 -1.812 -16.052 1.00 0.00 N ATOM 1772 CA GLN B 55 9.172 -0.823 -15.778 1.00 0.00 C ATOM 1773 C GLN B 55 10.490 -1.495 -15.407 1.00 0.00 C ATOM 1774 O GLN B 55 11.514 -0.826 -15.248 1.00 0.00 O ATOM 1775 CB GLN B 55 8.706 0.068 -14.645 1.00 0.00 C ATOM 1776 CG GLN B 55 7.478 0.865 -15.089 1.00 0.00 C ATOM 1777 CD GLN B 55 6.603 1.168 -13.885 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.077 0.176 -13.223 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.397 2.328 -13.535 1.00 0.00 N flip ATOM 0 H GLN B 55 7.629 -2.132 -15.226 1.00 0.00 H new ATOM 0 HA GLN B 55 9.344 -0.230 -16.676 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.463 -0.536 -13.771 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.506 0.747 -14.351 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.789 1.793 -15.568 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.912 0.298 -15.829 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.812 3.100 -14.057 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.811 2.519 -12.722 1.00 0.00 H new ATOM 1788 N ALA B 56 10.455 -2.821 -15.273 1.00 0.00 N ATOM 1789 CA ALA B 56 11.654 -3.584 -14.922 1.00 0.00 C ATOM 1790 C ALA B 56 12.660 -3.568 -16.065 1.00 0.00 C ATOM 1791 O ALA B 56 12.342 -3.151 -17.181 1.00 0.00 O ATOM 1792 CB ALA B 56 11.289 -5.030 -14.580 1.00 0.00 C ATOM 0 H ALA B 56 9.616 -3.386 -15.401 1.00 0.00 H new ATOM 0 HA ALA B 56 12.106 -3.113 -14.049 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.193 -5.582 -14.322 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.602 -5.041 -13.734 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.812 -5.498 -15.441 1.00 0.00 H new ATOM 1798 N PRO B 57 13.874 -3.990 -15.794 1.00 0.00 N ATOM 1799 CA PRO B 57 14.969 -4.006 -16.796 1.00 0.00 C ATOM 1800 C PRO B 57 14.883 -5.201 -17.745 1.00 0.00 C ATOM 1801 O PRO B 57 15.893 -5.815 -18.102 1.00 0.00 O ATOM 1802 CB PRO B 57 16.246 -4.039 -15.937 1.00 0.00 C ATOM 1803 CG PRO B 57 15.801 -4.061 -14.508 1.00 0.00 C ATOM 1804 CD PRO B 57 14.352 -4.502 -14.508 1.00 0.00 C ATOM 0 HA PRO B 57 14.930 -3.144 -17.462 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.846 -4.919 -16.169 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.869 -3.167 -16.135 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.414 -4.747 -13.923 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.905 -3.075 -14.055 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.256 -5.586 -14.440 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.798 -4.080 -13.670 1.00 0.00 H new ATOM 1812 N LYS B 58 13.663 -5.504 -18.151 1.00 0.00 N ATOM 1813 CA LYS B 58 13.406 -6.613 -19.069 1.00 0.00 C ATOM 1814 C LYS B 58 13.998 -6.323 -20.452 1.00 0.00 C ATOM 1815 O LYS B 58 13.846 -5.207 -20.921 1.00 0.00 O ATOM 1816 CB LYS B 58 11.900 -6.853 -19.188 1.00 0.00 C ATOM 1817 CG LYS B 58 11.481 -8.013 -18.276 1.00 0.00 C ATOM 1818 CD LYS B 58 11.436 -7.532 -16.817 1.00 0.00 C ATOM 1819 CE LYS B 58 11.372 -8.732 -15.862 1.00 0.00 C ATOM 1820 NZ LYS B 58 10.459 -9.776 -16.413 1.00 0.00 N ATOM 1821 OXT LYS B 58 14.595 -7.224 -21.019 1.00 0.00 O ATOM 0 H LYS B 58 12.826 -4.998 -17.861 1.00 0.00 H new ATOM 0 HA LYS B 58 13.884 -7.508 -18.670 1.00 0.00 H new ATOM 0 HB2 LYS B 58 11.356 -5.949 -18.914 1.00 0.00 H new ATOM 0 HB3 LYS B 58 11.640 -7.080 -20.222 1.00 0.00 H new ATOM 0 HG2 LYS B 58 10.503 -8.389 -18.576 1.00 0.00 H new ATOM 0 HG3 LYS B 58 12.185 -8.839 -18.375 1.00 0.00 H new ATOM 0 HD2 LYS B 58 12.318 -6.931 -16.598 1.00 0.00 H new ATOM 0 HD3 LYS B 58 10.568 -6.891 -16.665 1.00 0.00 H new ATOM 0 HE2 LYS B 58 12.370 -9.148 -15.720 1.00 0.00 H new ATOM 0 HE3 LYS B 58 11.019 -8.409 -14.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 10.086 -10.357 -15.635 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 9.670 -9.318 -16.912 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 10.984 -10.381 -17.076 1.00 0.00 H new TER 1835 LYS B 58