USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=28 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 21 ASN :FLIP amide:sc= -0.627 F(o=-7,f=-4.5) USER MOD Set 1.2: B 52 ASN : amide:sc= -3.84! C(o=-4.5!,f=-13!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= 0.326 F(o=-15!,f=-2.5) USER MOD Set 2.2: B 55 GLN : amide:sc= -2.85! C(o=-2.5!,f=-4!) USER MOD Set 3.1: A 26 GLN :FLIP amide:sc= -0.833 F(o=-9.4!,f=-3.3) USER MOD Set 3.2: A 55 GLN :FLIP amide:sc= -2.44! C(o=-7.6!,f=-3.3!) USER MOD Set 4.1: A 21 ASN : amide:sc= -0.806 K(o=-5.6,f=-6.5) USER MOD Set 4.2: A 52 ASN :FLIP amide:sc= -4.8! C(o=-8.6!,f=-5.6!) USER MOD Set 5.1: A 13 THR OG1 : rot 119:sc= -2.68 USER MOD Set 5.2: B 17 MET CE :methyl -117:sc= -12.2! (180deg=-12.2!) USER MOD Single : A 1 VAL N :NH3+ -159:sc= -0.11 (180deg=-0.789) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -3.95! C(o=-3.9!,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= -1.57 (180deg=-5.43!) USER MOD Single : A 18 ASN :FLIP amide:sc= -3.8 F(o=-4.7!,f=-3.8) USER MOD Single : A 23 ASN : amide:sc= -0.778 K(o=-0.78,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= -0.837 (180deg=-1.17) USER MOD Single : A 33 SER OG : rot 74:sc= 0.805 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0729 K(o=-0.073,f=-1.3) USER MOD Single : A 41 SER OG : rot 106:sc= -0.806 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= -0.662 (180deg=-1.09!) USER MOD Single : A 58 LYS NZ :NH3+ -127:sc= 1.97 (180deg=0.35) USER MOD Single : B 1 VAL N :NH3+ 133:sc= 0.0616 (180deg=-0.318) USER MOD Single : B 3 ASN : amide:sc= -0.928 K(o=-0.93,f=-3.9!) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -0.535 K(o=-0.54,f=-2.5!) USER MOD Single : B 7 LYS NZ :NH3+ -131:sc= 0.553 (180deg=-0.429) USER MOD Single : B 23 ASN : amide:sc= -8.8! C(o=-8.8!,f=-18!) USER MOD Single : B 24 SER OG : rot 140:sc=0.000272 USER MOD Single : B 32 ASN :FLIP amide:sc= -3.28! C(o=-4.1!,f=-3.3!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= -0.0584 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.0463 F(o=-0.86,f=-0.046) USER MOD Single : B 41 SER OG : rot -15:sc= -4.37! USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0392 F(o=-0.68,f=-0.039) USER MOD Single : B 49 LYS NZ :NH3+ 143:sc= 1.17 (180deg=-1.09!) USER MOD Single : B 50 LYS NZ :NH3+ -173:sc= 1.03 (180deg=0.995) USER MOD Single : B 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0364) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.027 -14.657 9.205 1.00 0.00 N ATOM 2 CA VAL A 1 6.977 -13.848 10.024 1.00 0.00 C ATOM 3 C VAL A 1 7.978 -13.167 9.095 1.00 0.00 C ATOM 4 O VAL A 1 8.226 -11.966 9.207 1.00 0.00 O ATOM 5 CB VAL A 1 7.710 -14.765 11.019 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.612 -13.927 11.937 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.684 -15.527 11.875 1.00 0.00 C ATOM 0 H1 VAL A 1 5.158 -14.829 9.750 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.793 -14.140 8.333 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.467 -15.567 8.960 1.00 0.00 H new ATOM 0 HA VAL A 1 6.433 -13.088 10.585 1.00 0.00 H new ATOM 0 HB VAL A 1 8.321 -15.475 10.461 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.127 -14.583 12.638 1.00 0.00 H new ATOM 0 HG12 VAL A 1 9.346 -13.391 11.335 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.004 -13.211 12.490 1.00 0.00 H new ATOM 0 HG21 VAL A 1 7.207 -16.175 12.578 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.069 -14.815 12.426 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.048 -16.131 11.228 1.00 0.00 H new ATOM 19 N ASP A 2 8.547 -13.949 8.178 1.00 0.00 N ATOM 20 CA ASP A 2 9.522 -13.429 7.219 1.00 0.00 C ATOM 21 C ASP A 2 8.887 -12.357 6.330 1.00 0.00 C ATOM 22 O ASP A 2 9.534 -11.377 5.966 1.00 0.00 O ATOM 23 CB ASP A 2 10.055 -14.578 6.348 1.00 0.00 C ATOM 24 CG ASP A 2 8.946 -15.132 5.442 1.00 0.00 C ATOM 25 OD1 ASP A 2 7.923 -15.548 5.965 1.00 0.00 O ATOM 26 OD2 ASP A 2 9.138 -15.129 4.238 1.00 0.00 O ATOM 0 H ASP A 2 8.350 -14.945 8.079 1.00 0.00 H new ATOM 0 HA ASP A 2 10.346 -12.977 7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.886 -14.223 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.443 -15.373 6.984 1.00 0.00 H new ATOM 31 N ASN A 3 7.614 -12.569 5.989 1.00 0.00 N ATOM 32 CA ASN A 3 6.871 -11.638 5.140 1.00 0.00 C ATOM 33 C ASN A 3 6.095 -10.619 5.979 1.00 0.00 C ATOM 34 O ASN A 3 5.272 -9.872 5.446 1.00 0.00 O ATOM 35 CB ASN A 3 5.901 -12.423 4.247 1.00 0.00 C ATOM 36 CG ASN A 3 6.672 -13.408 3.371 1.00 0.00 C ATOM 37 OD1 ASN A 3 7.638 -13.029 2.710 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.306 -14.659 3.335 1.00 0.00 N ATOM 0 H ASN A 3 7.075 -13.381 6.290 1.00 0.00 H new ATOM 0 HA ASN A 3 7.584 -11.092 4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.181 -12.960 4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.334 -11.735 3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.821 -15.325 2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.505 -14.972 3.883 1.00 0.00 H new ATOM 45 N LYS A 4 6.355 -10.594 7.292 1.00 0.00 N ATOM 46 CA LYS A 4 5.664 -9.659 8.184 1.00 0.00 C ATOM 47 C LYS A 4 5.863 -8.220 7.712 1.00 0.00 C ATOM 48 O LYS A 4 4.920 -7.428 7.708 1.00 0.00 O ATOM 49 CB LYS A 4 6.185 -9.811 9.618 1.00 0.00 C ATOM 50 CG LYS A 4 5.329 -8.957 10.561 1.00 0.00 C ATOM 51 CD LYS A 4 5.837 -9.096 11.999 1.00 0.00 C ATOM 52 CE LYS A 4 4.847 -8.417 12.951 1.00 0.00 C ATOM 53 NZ LYS A 4 5.027 -6.938 12.885 1.00 0.00 N ATOM 0 H LYS A 4 7.030 -11.203 7.754 1.00 0.00 H new ATOM 0 HA LYS A 4 4.599 -9.891 8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.148 -10.857 9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.228 -9.500 9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.366 -7.912 10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.287 -9.270 10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.946 -10.149 12.259 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.823 -8.641 12.095 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.825 -8.682 12.679 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.007 -8.768 13.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.355 -6.477 13.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.999 -6.694 13.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.853 -6.610 11.913 1.00 0.00 H new ATOM 67 N PHE A 5 7.093 -7.894 7.307 1.00 0.00 N ATOM 68 CA PHE A 5 7.407 -6.558 6.825 1.00 0.00 C ATOM 69 C PHE A 5 6.579 -6.243 5.581 1.00 0.00 C ATOM 70 O PHE A 5 6.098 -5.131 5.431 1.00 0.00 O ATOM 71 CB PHE A 5 8.912 -6.427 6.526 1.00 0.00 C ATOM 72 CG PHE A 5 9.239 -7.003 5.160 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.284 -8.389 4.976 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.483 -6.144 4.077 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.573 -8.921 3.716 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.771 -6.677 2.815 1.00 0.00 C ATOM 77 CZ PHE A 5 9.817 -8.065 2.635 1.00 0.00 C ATOM 0 H PHE A 5 7.883 -8.540 7.305 1.00 0.00 H new ATOM 0 HA PHE A 5 7.155 -5.838 7.603 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.206 -5.378 6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.487 -6.947 7.293 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.095 -9.050 5.809 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.449 -5.074 4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.608 -9.991 3.576 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.958 -6.018 1.980 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.041 -8.476 1.662 1.00 0.00 H new ATOM 87 N ASN A 6 6.408 -7.241 4.702 1.00 0.00 N ATOM 88 CA ASN A 6 5.615 -7.066 3.492 1.00 0.00 C ATOM 89 C ASN A 6 4.164 -6.840 3.860 1.00 0.00 C ATOM 90 O ASN A 6 3.498 -5.962 3.316 1.00 0.00 O ATOM 91 CB ASN A 6 5.707 -8.321 2.631 1.00 0.00 C ATOM 92 CG ASN A 6 5.006 -8.114 1.296 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.017 -7.019 0.754 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.379 -9.111 0.745 1.00 0.00 N ATOM 0 H ASN A 6 6.810 -8.172 4.812 1.00 0.00 H new ATOM 0 HA ASN A 6 5.998 -6.207 2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.753 -8.575 2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.256 -9.162 3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.894 -8.981 -0.143 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.372 -10.024 1.201 1.00 0.00 H new ATOM 101 N LYS A 7 3.694 -7.645 4.807 1.00 0.00 N ATOM 102 CA LYS A 7 2.331 -7.550 5.279 1.00 0.00 C ATOM 103 C LYS A 7 2.137 -6.175 5.872 1.00 0.00 C ATOM 104 O LYS A 7 1.141 -5.520 5.626 1.00 0.00 O ATOM 105 CB LYS A 7 2.086 -8.625 6.349 1.00 0.00 C ATOM 106 CG LYS A 7 0.590 -8.921 6.510 1.00 0.00 C ATOM 107 CD LYS A 7 0.070 -9.638 5.261 1.00 0.00 C ATOM 108 CE LYS A 7 -1.123 -10.527 5.624 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.223 -9.695 6.195 1.00 0.00 N ATOM 0 H LYS A 7 4.246 -8.373 5.261 1.00 0.00 H new ATOM 0 HA LYS A 7 1.628 -7.706 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.612 -9.540 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.498 -8.293 7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.424 -9.540 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.040 -7.993 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.227 -8.907 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.864 -10.242 4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.477 -11.055 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.817 -11.285 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.572 -10.135 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.864 -8.742 6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.000 -9.628 5.507 1.00 0.00 H new ATOM 123 N GLU A 8 3.129 -5.746 6.644 1.00 0.00 N ATOM 124 CA GLU A 8 3.081 -4.440 7.269 1.00 0.00 C ATOM 125 C GLU A 8 3.287 -3.334 6.244 1.00 0.00 C ATOM 126 O GLU A 8 2.619 -2.311 6.287 1.00 0.00 O ATOM 127 CB GLU A 8 4.119 -4.355 8.392 1.00 0.00 C ATOM 128 CG GLU A 8 4.065 -2.970 9.061 1.00 0.00 C ATOM 129 CD GLU A 8 2.676 -2.718 9.657 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.359 -3.344 10.656 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.950 -1.903 9.107 1.00 0.00 O ATOM 0 H GLU A 8 3.971 -6.285 6.848 1.00 0.00 H new ATOM 0 HA GLU A 8 2.091 -4.300 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.929 -5.132 9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.116 -4.534 7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.820 -2.908 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.300 -2.197 8.330 1.00 0.00 H new ATOM 138 N LEU A 9 4.181 -3.572 5.301 1.00 0.00 N ATOM 139 CA LEU A 9 4.439 -2.615 4.225 1.00 0.00 C ATOM 140 C LEU A 9 3.141 -2.412 3.477 1.00 0.00 C ATOM 141 O LEU A 9 2.771 -1.294 3.137 1.00 0.00 O ATOM 142 CB LEU A 9 5.534 -3.162 3.294 1.00 0.00 C ATOM 143 CG LEU A 9 5.679 -2.272 2.046 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.477 -1.002 2.332 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.398 -3.042 0.964 1.00 0.00 C ATOM 0 H LEU A 9 4.745 -4.421 5.253 1.00 0.00 H new ATOM 0 HA LEU A 9 4.790 -1.662 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.483 -3.207 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.288 -4.181 2.994 1.00 0.00 H new ATOM 0 HG LEU A 9 4.674 -1.987 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.552 -0.407 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.973 -0.421 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.477 -1.270 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.502 -2.414 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.386 -3.334 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.825 -3.934 0.711 1.00 0.00 H new ATOM 157 N GLY A 10 2.431 -3.507 3.274 1.00 0.00 N ATOM 158 CA GLY A 10 1.164 -3.454 2.624 1.00 0.00 C ATOM 159 C GLY A 10 0.125 -2.888 3.566 1.00 0.00 C ATOM 160 O GLY A 10 -0.743 -2.119 3.165 1.00 0.00 O ATOM 0 H GLY A 10 2.725 -4.442 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.231 -2.836 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.869 -4.452 2.301 1.00 0.00 H new ATOM 164 N TRP A 11 0.183 -3.303 4.824 1.00 0.00 N ATOM 165 CA TRP A 11 -0.805 -2.835 5.762 1.00 0.00 C ATOM 166 C TRP A 11 -0.676 -1.384 6.106 1.00 0.00 C ATOM 167 O TRP A 11 -1.657 -0.647 6.028 1.00 0.00 O ATOM 168 CB TRP A 11 -0.889 -3.671 7.023 1.00 0.00 C ATOM 169 CG TRP A 11 -2.345 -3.754 7.405 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.795 -3.771 8.667 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.551 -3.787 6.539 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.176 -3.853 8.650 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.685 -3.852 7.369 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.772 -3.777 5.132 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.978 -3.900 6.841 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.056 -3.819 4.603 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.165 -3.878 5.453 1.00 0.00 C ATOM 0 H TRP A 11 0.883 -3.942 5.202 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.745 -2.957 5.223 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.478 -4.666 6.853 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.306 -3.218 7.825 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.180 -3.728 9.553 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.752 -3.908 9.490 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.925 -3.736 4.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.831 -3.954 7.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.198 -3.806 3.532 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.163 -3.907 5.040 1.00 0.00 H new ATOM 188 N ALA A 12 0.509 -0.966 6.491 1.00 0.00 N ATOM 189 CA ALA A 12 0.699 0.415 6.844 1.00 0.00 C ATOM 190 C ALA A 12 0.286 1.281 5.657 1.00 0.00 C ATOM 191 O ALA A 12 -0.350 2.311 5.829 1.00 0.00 O ATOM 192 CB ALA A 12 2.151 0.666 7.237 1.00 0.00 C ATOM 0 H ALA A 12 1.340 -1.553 6.566 1.00 0.00 H new ATOM 0 HA ALA A 12 0.081 0.672 7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.280 1.715 7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.410 0.042 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.803 0.421 6.398 1.00 0.00 H new ATOM 198 N THR A 13 0.588 0.802 4.446 1.00 0.00 N ATOM 199 CA THR A 13 0.188 1.496 3.230 1.00 0.00 C ATOM 200 C THR A 13 -1.319 1.699 3.234 1.00 0.00 C ATOM 201 O THR A 13 -1.794 2.800 2.985 1.00 0.00 O ATOM 202 CB THR A 13 0.600 0.639 2.036 1.00 0.00 C ATOM 203 OG1 THR A 13 1.985 0.788 1.832 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.154 1.050 0.775 1.00 0.00 C ATOM 0 H THR A 13 1.107 -0.062 4.288 1.00 0.00 H new ATOM 0 HA THR A 13 0.670 2.472 3.170 1.00 0.00 H new ATOM 0 HB THR A 13 0.356 -0.402 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.426 -0.081 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.161 0.422 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.225 0.929 0.936 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.063 2.093 0.545 1.00 0.00 H new ATOM 212 N TRP A 14 -2.046 0.627 3.548 1.00 0.00 N ATOM 213 CA TRP A 14 -3.505 0.662 3.612 1.00 0.00 C ATOM 214 C TRP A 14 -3.991 1.551 4.746 1.00 0.00 C ATOM 215 O TRP A 14 -4.903 2.346 4.572 1.00 0.00 O ATOM 216 CB TRP A 14 -4.017 -0.746 3.865 1.00 0.00 C ATOM 217 CG TRP A 14 -5.480 -0.850 3.557 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.458 -0.899 4.488 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.145 -0.938 2.262 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.674 -1.046 3.855 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.534 -1.075 2.486 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.693 -0.926 0.926 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.429 -1.202 1.433 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.590 -1.051 -0.120 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.948 -1.192 0.127 1.00 0.00 C ATOM 0 H TRP A 14 -1.642 -0.284 3.764 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.877 1.060 2.668 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.461 -1.454 3.251 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.841 -1.019 4.905 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.311 -0.834 5.556 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.567 -1.124 4.341 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.639 -0.818 0.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.487 -1.307 1.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.230 -1.039 -1.138 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.636 -1.295 -0.699 1.00 0.00 H new ATOM 236 N GLU A 15 -3.381 1.389 5.912 1.00 0.00 N ATOM 237 CA GLU A 15 -3.763 2.160 7.086 1.00 0.00 C ATOM 238 C GLU A 15 -3.573 3.652 6.808 1.00 0.00 C ATOM 239 O GLU A 15 -4.417 4.475 7.170 1.00 0.00 O ATOM 240 CB GLU A 15 -2.926 1.690 8.278 1.00 0.00 C ATOM 241 CG GLU A 15 -3.274 0.219 8.593 1.00 0.00 C ATOM 242 CD GLU A 15 -2.273 -0.359 9.593 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.491 -0.197 10.783 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.303 -0.958 9.154 1.00 0.00 O ATOM 0 H GLU A 15 -2.619 0.730 6.070 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.816 2.004 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.864 1.785 8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.124 2.317 9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.283 0.156 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.263 -0.369 7.675 1.00 0.00 H new ATOM 251 N ILE A 16 -2.491 3.975 6.098 1.00 0.00 N ATOM 252 CA ILE A 16 -2.213 5.353 5.690 1.00 0.00 C ATOM 253 C ILE A 16 -3.227 5.749 4.606 1.00 0.00 C ATOM 254 O ILE A 16 -3.704 6.883 4.555 1.00 0.00 O ATOM 255 CB ILE A 16 -0.768 5.438 5.142 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.233 5.130 6.268 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.473 6.837 4.580 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.664 5.016 5.709 1.00 0.00 C ATOM 0 H ILE A 16 -1.791 3.299 5.793 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.304 6.034 6.536 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.667 4.708 4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.193 5.916 7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.044 4.200 6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.549 6.869 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.167 7.057 3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.591 7.579 5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.356 4.798 6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.704 4.213 4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.946 5.956 5.235 1.00 0.00 H new ATOM 270 N PHE A 17 -3.553 4.766 3.761 1.00 0.00 N ATOM 271 CA PHE A 17 -4.522 4.928 2.670 1.00 0.00 C ATOM 272 C PHE A 17 -5.916 5.199 3.244 1.00 0.00 C ATOM 273 O PHE A 17 -6.704 5.955 2.675 1.00 0.00 O ATOM 274 CB PHE A 17 -4.564 3.614 1.872 1.00 0.00 C ATOM 275 CG PHE A 17 -4.791 3.836 0.396 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.706 4.106 -0.454 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.076 3.702 -0.132 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.916 4.250 -1.826 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.285 3.835 -1.503 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.205 4.109 -2.349 1.00 0.00 C ATOM 0 H PHE A 17 -3.151 3.830 3.814 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.228 5.764 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.626 3.077 2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.358 2.979 2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.711 4.202 -0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.909 3.495 0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.086 4.470 -2.481 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.279 3.727 -1.912 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.368 4.212 -3.412 1.00 0.00 H new ATOM 290 N ASN A 18 -6.203 4.531 4.365 1.00 0.00 N ATOM 291 CA ASN A 18 -7.498 4.632 5.037 1.00 0.00 C ATOM 292 C ASN A 18 -7.537 5.750 6.083 1.00 0.00 C ATOM 293 O ASN A 18 -8.540 5.883 6.790 1.00 0.00 O ATOM 294 CB ASN A 18 -7.819 3.294 5.727 1.00 0.00 C ATOM 295 CG ASN A 18 -8.134 2.207 4.700 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.288 1.951 3.743 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.182 1.567 4.777 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.544 3.906 4.830 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.239 4.869 4.273 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.972 2.985 6.340 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.668 3.422 6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.847 1.765 5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.386 0.839 4.093 1.00 0.00 H new ATOM 304 N LEU A 19 -6.474 6.559 6.194 1.00 0.00 N ATOM 305 CA LEU A 19 -6.488 7.635 7.184 1.00 0.00 C ATOM 306 C LEU A 19 -7.519 8.688 6.767 1.00 0.00 C ATOM 307 O LEU A 19 -7.609 9.027 5.586 1.00 0.00 O ATOM 308 CB LEU A 19 -5.106 8.276 7.348 1.00 0.00 C ATOM 309 CG LEU A 19 -4.394 7.697 8.586 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.026 8.326 8.696 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.158 8.029 9.869 1.00 0.00 C ATOM 0 H LEU A 19 -5.625 6.492 5.632 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.761 7.211 8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.505 8.096 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.208 9.356 7.450 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.335 6.615 8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.510 7.925 9.569 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.449 8.102 7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.129 9.406 8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.632 7.607 10.725 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.227 9.111 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.161 7.605 9.815 1.00 0.00 H new ATOM 323 N PRO A 20 -8.324 9.177 7.688 1.00 0.00 N ATOM 324 CA PRO A 20 -9.401 10.162 7.389 1.00 0.00 C ATOM 325 C PRO A 20 -8.936 11.620 7.336 1.00 0.00 C ATOM 326 O PRO A 20 -9.779 12.519 7.416 1.00 0.00 O ATOM 327 CB PRO A 20 -10.391 9.969 8.563 1.00 0.00 C ATOM 328 CG PRO A 20 -9.814 8.900 9.436 1.00 0.00 C ATOM 329 CD PRO A 20 -8.332 8.872 9.121 1.00 0.00 C ATOM 0 HA PRO A 20 -9.816 9.984 6.397 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.518 10.898 9.120 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.376 9.680 8.196 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.987 9.119 10.490 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.277 7.935 9.231 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.777 9.611 9.699 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.887 7.900 9.335 1.00 0.00 H new ATOM 337 N ASN A 21 -7.622 11.885 7.225 1.00 0.00 N ATOM 338 CA ASN A 21 -7.184 13.293 7.204 1.00 0.00 C ATOM 339 C ASN A 21 -5.971 13.547 6.309 1.00 0.00 C ATOM 340 O ASN A 21 -5.532 14.691 6.183 1.00 0.00 O ATOM 341 CB ASN A 21 -6.883 13.746 8.634 1.00 0.00 C ATOM 342 CG ASN A 21 -8.184 13.981 9.398 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.834 15.009 9.213 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.608 13.082 10.240 1.00 0.00 N ATOM 0 H ASN A 21 -6.881 11.188 7.152 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.001 13.874 6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.285 12.991 9.144 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.293 14.662 8.616 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.480 13.230 10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.068 12.230 10.392 1.00 0.00 H new ATOM 351 N LEU A 22 -5.440 12.504 5.684 1.00 0.00 N ATOM 352 CA LEU A 22 -4.281 12.668 4.800 1.00 0.00 C ATOM 353 C LEU A 22 -4.716 13.003 3.384 1.00 0.00 C ATOM 354 O LEU A 22 -5.797 12.600 2.949 1.00 0.00 O ATOM 355 CB LEU A 22 -3.447 11.391 4.782 1.00 0.00 C ATOM 356 CG LEU A 22 -2.954 11.078 6.196 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.164 9.783 6.175 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.042 12.194 6.697 1.00 0.00 C ATOM 0 H LEU A 22 -5.783 11.547 5.767 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.682 13.492 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.043 10.561 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.598 11.509 4.108 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.816 10.989 6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.811 9.556 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.803 8.973 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.310 9.888 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.698 11.958 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.183 12.287 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.593 13.135 6.712 1.00 0.00 H new ATOM 370 N ASN A 23 -3.854 13.725 2.659 1.00 0.00 N ATOM 371 CA ASN A 23 -4.156 14.084 1.279 1.00 0.00 C ATOM 372 C ASN A 23 -3.434 13.127 0.341 1.00 0.00 C ATOM 373 O ASN A 23 -2.535 12.394 0.764 1.00 0.00 O ATOM 374 CB ASN A 23 -3.772 15.550 0.991 1.00 0.00 C ATOM 375 CG ASN A 23 -2.257 15.747 0.949 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.512 15.019 1.592 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.758 16.706 0.221 1.00 0.00 N ATOM 0 H ASN A 23 -2.956 14.065 3.003 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.230 13.997 1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.204 15.858 0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.200 16.195 1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.749 16.849 0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.377 17.314 -0.316 1.00 0.00 H new ATOM 384 N GLY A 24 -3.849 13.119 -0.921 1.00 0.00 N ATOM 385 CA GLY A 24 -3.261 12.225 -1.915 1.00 0.00 C ATOM 386 C GLY A 24 -1.735 12.262 -1.899 1.00 0.00 C ATOM 387 O GLY A 24 -1.094 11.249 -2.154 1.00 0.00 O ATOM 0 H GLY A 24 -4.590 13.721 -1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.599 11.206 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.618 12.503 -2.907 1.00 0.00 H new ATOM 391 N VAL A 25 -1.161 13.431 -1.608 1.00 0.00 N ATOM 392 CA VAL A 25 0.295 13.576 -1.584 1.00 0.00 C ATOM 393 C VAL A 25 0.922 12.935 -0.349 1.00 0.00 C ATOM 394 O VAL A 25 1.883 12.180 -0.479 1.00 0.00 O ATOM 395 CB VAL A 25 0.674 15.054 -1.667 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.196 15.207 -1.553 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.210 15.599 -3.022 1.00 0.00 C ATOM 0 H VAL A 25 -1.676 14.283 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 25 0.690 13.049 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 25 0.199 15.604 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.461 16.263 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.532 14.802 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.678 14.665 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.472 16.654 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.698 15.044 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.871 15.487 -3.109 1.00 0.00 H new ATOM 407 N GLN A 26 0.398 13.233 0.845 1.00 0.00 N ATOM 408 CA GLN A 26 0.966 12.655 2.055 1.00 0.00 C ATOM 409 C GLN A 26 0.858 11.141 2.029 1.00 0.00 C ATOM 410 O GLN A 26 1.824 10.449 2.341 1.00 0.00 O ATOM 411 CB GLN A 26 0.293 13.234 3.297 1.00 0.00 C ATOM 412 CG GLN A 26 1.086 14.470 3.753 1.00 0.00 C ATOM 413 CD GLN A 26 0.140 15.538 4.259 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.413 15.375 5.410 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 -0.104 16.539 3.584 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.397 13.855 0.993 1.00 0.00 H new ATOM 0 HA GLN A 26 2.024 12.914 2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.739 13.507 3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.262 12.489 4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.787 14.192 4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.676 14.859 2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.339 16.660 2.673 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.749 17.247 3.936 1.00 0.00 H new ATOM 424 N VAL A 27 -0.299 10.631 1.612 1.00 0.00 N ATOM 425 CA VAL A 27 -0.483 9.183 1.517 1.00 0.00 C ATOM 426 C VAL A 27 0.512 8.623 0.501 1.00 0.00 C ATOM 427 O VAL A 27 1.164 7.606 0.744 1.00 0.00 O ATOM 428 CB VAL A 27 -1.921 8.845 1.094 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.084 7.323 1.009 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.909 9.397 2.130 1.00 0.00 C ATOM 0 H VAL A 27 -1.110 11.186 1.339 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.306 8.733 2.494 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.123 9.294 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.104 7.082 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.386 6.923 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.878 6.880 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.928 9.155 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.704 8.949 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.798 10.479 2.198 1.00 0.00 H new ATOM 440 N LYS A 28 0.635 9.329 -0.625 1.00 0.00 N ATOM 441 CA LYS A 28 1.567 8.952 -1.685 1.00 0.00 C ATOM 442 C LYS A 28 3.000 8.995 -1.159 1.00 0.00 C ATOM 443 O LYS A 28 3.838 8.180 -1.545 1.00 0.00 O ATOM 444 CB LYS A 28 1.401 9.918 -2.879 1.00 0.00 C ATOM 445 CG LYS A 28 2.282 9.494 -4.064 1.00 0.00 C ATOM 446 CD LYS A 28 2.234 10.588 -5.142 1.00 0.00 C ATOM 447 CE LYS A 28 3.035 10.153 -6.375 1.00 0.00 C ATOM 448 NZ LYS A 28 4.493 10.265 -6.088 1.00 0.00 N ATOM 0 H LYS A 28 0.095 10.171 -0.825 1.00 0.00 H new ATOM 0 HA LYS A 28 1.352 7.936 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.356 9.941 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.664 10.930 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.308 9.337 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.931 8.547 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.200 10.787 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.641 11.518 -4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.784 9.126 -6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.773 10.776 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.008 9.529 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.834 11.203 -6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.657 10.141 -5.068 1.00 0.00 H new ATOM 462 N ALA A 29 3.265 9.960 -0.277 1.00 0.00 N ATOM 463 CA ALA A 29 4.582 10.129 0.310 1.00 0.00 C ATOM 464 C ALA A 29 4.881 9.023 1.284 1.00 0.00 C ATOM 465 O ALA A 29 5.977 8.467 1.285 1.00 0.00 O ATOM 466 CB ALA A 29 4.654 11.449 1.053 1.00 0.00 C ATOM 0 H ALA A 29 2.574 10.638 0.044 1.00 0.00 H new ATOM 0 HA ALA A 29 5.312 10.109 -0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.646 11.567 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.463 12.268 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.905 11.462 1.845 1.00 0.00 H new ATOM 472 N PHE A 30 3.892 8.699 2.104 1.00 0.00 N ATOM 473 CA PHE A 30 4.049 7.650 3.062 1.00 0.00 C ATOM 474 C PHE A 30 4.270 6.366 2.303 1.00 0.00 C ATOM 475 O PHE A 30 5.121 5.560 2.675 1.00 0.00 O ATOM 476 CB PHE A 30 2.826 7.566 3.967 1.00 0.00 C ATOM 477 CG PHE A 30 2.688 8.842 4.784 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.798 9.366 5.475 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.450 9.507 4.857 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.665 10.536 6.216 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.332 10.674 5.604 1.00 0.00 C ATOM 482 CZ PHE A 30 2.435 11.186 6.278 1.00 0.00 C ATOM 0 H PHE A 30 2.980 9.155 2.114 1.00 0.00 H new ATOM 0 HA PHE A 30 4.904 7.843 3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.930 7.412 3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.915 6.707 4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.751 8.860 5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.592 9.111 4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.516 10.940 6.743 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.382 11.184 5.661 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.337 12.094 6.854 1.00 0.00 H new ATOM 492 N ILE A 31 3.552 6.223 1.180 1.00 0.00 N ATOM 493 CA ILE A 31 3.740 5.067 0.334 1.00 0.00 C ATOM 494 C ILE A 31 5.148 5.097 -0.207 1.00 0.00 C ATOM 495 O ILE A 31 5.857 4.118 -0.129 1.00 0.00 O ATOM 496 CB ILE A 31 2.724 5.033 -0.827 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.394 4.459 -0.298 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.262 4.160 -1.997 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.295 4.597 -1.353 1.00 0.00 C ATOM 0 H ILE A 31 2.851 6.888 0.852 1.00 0.00 H new ATOM 0 HA ILE A 31 3.577 4.167 0.927 1.00 0.00 H new ATOM 0 HB ILE A 31 2.567 6.042 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.523 3.409 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.101 4.983 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.533 4.147 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.201 4.578 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.430 3.142 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.637 4.187 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.154 5.650 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.583 4.052 -2.252 1.00 0.00 H new ATOM 511 N ASP A 32 5.539 6.244 -0.740 1.00 0.00 N ATOM 512 CA ASP A 32 6.871 6.394 -1.310 1.00 0.00 C ATOM 513 C ASP A 32 7.946 6.047 -0.289 1.00 0.00 C ATOM 514 O ASP A 32 8.925 5.369 -0.605 1.00 0.00 O ATOM 515 CB ASP A 32 7.061 7.830 -1.815 1.00 0.00 C ATOM 516 CG ASP A 32 8.372 7.943 -2.592 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.364 7.647 -3.775 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.365 8.319 -1.990 1.00 0.00 O ATOM 0 H ASP A 32 4.958 7.081 -0.790 1.00 0.00 H new ATOM 0 HA ASP A 32 6.968 5.703 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.225 8.113 -2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.067 8.522 -0.973 1.00 0.00 H new ATOM 523 N SER A 33 7.728 6.491 0.933 1.00 0.00 N ATOM 524 CA SER A 33 8.645 6.215 2.033 1.00 0.00 C ATOM 525 C SER A 33 8.616 4.721 2.366 1.00 0.00 C ATOM 526 O SER A 33 9.642 4.113 2.660 1.00 0.00 O ATOM 527 CB SER A 33 8.234 7.042 3.247 1.00 0.00 C ATOM 528 OG SER A 33 8.305 8.424 2.919 1.00 0.00 O ATOM 0 H SER A 33 6.917 7.050 1.196 1.00 0.00 H new ATOM 0 HA SER A 33 9.661 6.486 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.221 6.781 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.889 6.822 4.090 1.00 0.00 H new ATOM 0 HG SER A 33 7.557 8.660 2.331 1.00 0.00 H new ATOM 534 N LEU A 34 7.415 4.154 2.279 1.00 0.00 N ATOM 535 CA LEU A 34 7.174 2.729 2.522 1.00 0.00 C ATOM 536 C LEU A 34 7.972 1.881 1.531 1.00 0.00 C ATOM 537 O LEU A 34 8.727 0.997 1.924 1.00 0.00 O ATOM 538 CB LEU A 34 5.678 2.493 2.315 1.00 0.00 C ATOM 539 CG LEU A 34 4.940 2.349 3.641 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.691 3.231 3.657 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.522 0.903 3.790 1.00 0.00 C ATOM 0 H LEU A 34 6.572 4.674 2.036 1.00 0.00 H new ATOM 0 HA LEU A 34 7.484 2.450 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.253 3.323 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.531 1.593 1.717 1.00 0.00 H new ATOM 0 HG LEU A 34 5.594 2.655 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.176 3.116 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.980 4.274 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.025 2.933 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.991 0.773 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.867 0.627 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.406 0.266 3.781 1.00 0.00 H new ATOM 553 N ARG A 35 7.806 2.179 0.249 1.00 0.00 N ATOM 554 CA ARG A 35 8.534 1.449 -0.811 1.00 0.00 C ATOM 555 C ARG A 35 10.035 1.664 -0.640 1.00 0.00 C ATOM 556 O ARG A 35 10.825 0.721 -0.718 1.00 0.00 O ATOM 557 CB ARG A 35 8.132 1.925 -2.227 1.00 0.00 C ATOM 558 CG ARG A 35 6.927 2.864 -2.151 1.00 0.00 C ATOM 559 CD ARG A 35 6.310 3.188 -3.517 1.00 0.00 C ATOM 560 NE ARG A 35 7.075 2.608 -4.603 1.00 0.00 N ATOM 561 CZ ARG A 35 6.742 1.446 -5.143 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.137 0.547 -4.427 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.018 1.211 -6.386 1.00 0.00 N ATOM 0 H ARG A 35 7.183 2.911 -0.092 1.00 0.00 H new ATOM 0 HA ARG A 35 8.275 0.395 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.971 2.437 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.892 1.065 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.165 2.412 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.232 3.794 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.287 2.813 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.258 4.269 -3.645 1.00 0.00 H new ATOM 0 HE ARG A 35 7.890 3.107 -4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.918 0.736 -3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.880 -0.348 -4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.491 1.920 -6.946 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.763 0.317 -6.805 1.00 0.00 H new ATOM 577 N ASP A 36 10.404 2.922 -0.393 1.00 0.00 N ATOM 578 CA ASP A 36 11.799 3.300 -0.192 1.00 0.00 C ATOM 579 C ASP A 36 12.364 2.598 1.036 1.00 0.00 C ATOM 580 O ASP A 36 13.543 2.241 1.079 1.00 0.00 O ATOM 581 CB ASP A 36 11.906 4.811 -0.013 1.00 0.00 C ATOM 582 CG ASP A 36 13.372 5.241 0.018 1.00 0.00 C ATOM 583 OD1 ASP A 36 13.937 5.435 -1.046 1.00 0.00 O ATOM 584 OD2 ASP A 36 13.911 5.365 1.108 1.00 0.00 O ATOM 0 H ASP A 36 9.748 3.700 -0.327 1.00 0.00 H new ATOM 0 HA ASP A 36 12.373 2.998 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.389 5.318 -0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.413 5.110 0.912 1.00 0.00 H new ATOM 589 N ASP A 37 11.497 2.408 2.028 1.00 0.00 N ATOM 590 CA ASP A 37 11.887 1.748 3.268 1.00 0.00 C ATOM 591 C ASP A 37 10.694 1.052 3.906 1.00 0.00 C ATOM 592 O ASP A 37 9.930 1.659 4.664 1.00 0.00 O ATOM 593 CB ASP A 37 12.504 2.757 4.252 1.00 0.00 C ATOM 594 CG ASP A 37 13.312 2.024 5.330 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.772 1.113 5.941 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.459 2.386 5.529 1.00 0.00 O ATOM 0 H ASP A 37 10.521 2.702 1.996 1.00 0.00 H new ATOM 0 HA ASP A 37 12.638 0.996 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.149 3.452 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.716 3.349 4.718 1.00 0.00 H new ATOM 601 N PRO A 38 10.522 -0.212 3.611 1.00 0.00 N ATOM 602 CA PRO A 38 9.406 -1.015 4.163 1.00 0.00 C ATOM 603 C PRO A 38 9.592 -1.331 5.643 1.00 0.00 C ATOM 604 O PRO A 38 8.629 -1.513 6.382 1.00 0.00 O ATOM 605 CB PRO A 38 9.387 -2.280 3.318 1.00 0.00 C ATOM 606 CG PRO A 38 10.480 -2.167 2.301 1.00 0.00 C ATOM 607 CD PRO A 38 11.374 -1.013 2.720 1.00 0.00 C ATOM 0 HA PRO A 38 8.462 -0.472 4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.537 -3.160 3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.420 -2.398 2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.051 -3.094 2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.064 -1.990 1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.268 -1.366 3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.708 -0.434 1.859 1.00 0.00 H new ATOM 615 N SER A 39 10.835 -1.367 6.080 1.00 0.00 N ATOM 616 CA SER A 39 11.120 -1.614 7.486 1.00 0.00 C ATOM 617 C SER A 39 10.566 -0.442 8.299 1.00 0.00 C ATOM 618 O SER A 39 10.284 -0.562 9.492 1.00 0.00 O ATOM 619 CB SER A 39 12.631 -1.741 7.712 1.00 0.00 C ATOM 620 OG SER A 39 13.168 -2.669 6.779 1.00 0.00 O ATOM 0 H SER A 39 11.658 -1.231 5.493 1.00 0.00 H new ATOM 0 HA SER A 39 10.652 -2.547 7.800 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.111 -0.770 7.594 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.832 -2.074 8.730 1.00 0.00 H new ATOM 0 HG SER A 39 14.134 -2.752 6.919 1.00 0.00 H new ATOM 626 N GLN A 40 10.434 0.699 7.610 1.00 0.00 N ATOM 627 CA GLN A 40 9.939 1.937 8.202 1.00 0.00 C ATOM 628 C GLN A 40 8.421 2.116 7.994 1.00 0.00 C ATOM 629 O GLN A 40 7.864 3.121 8.393 1.00 0.00 O ATOM 630 CB GLN A 40 10.694 3.107 7.541 1.00 0.00 C ATOM 631 CG GLN A 40 10.566 4.393 8.367 1.00 0.00 C ATOM 632 CD GLN A 40 11.409 5.498 7.737 1.00 0.00 C ATOM 633 OE1 GLN A 40 11.058 6.021 6.680 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.506 5.884 8.327 1.00 0.00 N ATOM 0 H GLN A 40 10.670 0.784 6.621 1.00 0.00 H new ATOM 0 HA GLN A 40 10.111 1.908 9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.747 2.847 7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.301 3.276 6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.522 4.702 8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.893 4.212 9.391 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.794 5.448 9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.076 6.621 7.912 1.00 0.00 H new ATOM 643 N SER A 41 7.756 1.160 7.352 1.00 0.00 N ATOM 644 CA SER A 41 6.313 1.282 7.069 1.00 0.00 C ATOM 645 C SER A 41 5.492 1.672 8.299 1.00 0.00 C ATOM 646 O SER A 41 4.574 2.487 8.203 1.00 0.00 O ATOM 647 CB SER A 41 5.780 -0.062 6.585 1.00 0.00 C ATOM 648 OG SER A 41 6.596 -0.544 5.545 1.00 0.00 O ATOM 0 H SER A 41 8.181 0.296 7.017 1.00 0.00 H new ATOM 0 HA SER A 41 6.212 2.066 6.319 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.762 -0.776 7.408 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.753 0.047 6.235 1.00 0.00 H new ATOM 0 HG SER A 41 7.146 -1.284 5.877 1.00 0.00 H new ATOM 654 N ALA A 42 5.831 1.092 9.440 1.00 0.00 N ATOM 655 CA ALA A 42 5.130 1.380 10.686 1.00 0.00 C ATOM 656 C ALA A 42 5.320 2.831 11.069 1.00 0.00 C ATOM 657 O ALA A 42 4.419 3.485 11.590 1.00 0.00 O ATOM 658 CB ALA A 42 5.724 0.524 11.789 1.00 0.00 C ATOM 0 H ALA A 42 6.590 0.416 9.531 1.00 0.00 H new ATOM 0 HA ALA A 42 4.069 1.170 10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.208 0.730 12.727 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.608 -0.529 11.535 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.783 0.756 11.899 1.00 0.00 H new ATOM 664 N ASN A 43 6.526 3.301 10.806 1.00 0.00 N ATOM 665 CA ASN A 43 6.917 4.655 11.108 1.00 0.00 C ATOM 666 C ASN A 43 6.189 5.647 10.217 1.00 0.00 C ATOM 667 O ASN A 43 5.855 6.750 10.625 1.00 0.00 O ATOM 668 CB ASN A 43 8.417 4.763 10.881 1.00 0.00 C ATOM 669 CG ASN A 43 9.177 4.519 12.181 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.105 5.329 13.106 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.903 3.444 12.309 1.00 0.00 N ATOM 0 H ASN A 43 7.263 2.745 10.373 1.00 0.00 H new ATOM 0 HA ASN A 43 6.659 4.890 12.141 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.729 4.038 10.130 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.661 5.751 10.491 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.412 3.273 13.176 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.962 2.774 11.542 1.00 0.00 H new ATOM 678 N LEU A 44 5.969 5.225 8.991 1.00 0.00 N ATOM 679 CA LEU A 44 5.298 6.025 7.982 1.00 0.00 C ATOM 680 C LEU A 44 3.847 6.076 8.301 1.00 0.00 C ATOM 681 O LEU A 44 3.207 7.114 8.214 1.00 0.00 O ATOM 682 CB LEU A 44 5.582 5.371 6.643 1.00 0.00 C ATOM 683 CG LEU A 44 7.104 5.307 6.546 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.552 4.372 5.446 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.617 6.711 6.337 1.00 0.00 C ATOM 0 H LEU A 44 6.254 4.304 8.659 1.00 0.00 H new ATOM 0 HA LEU A 44 5.653 7.055 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.141 4.375 6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.159 5.951 5.823 1.00 0.00 H new ATOM 0 HG LEU A 44 7.519 4.901 7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.641 4.352 5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.178 3.368 5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.161 4.721 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.704 6.694 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.198 7.118 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.320 7.336 7.179 1.00 0.00 H new ATOM 697 N LEU A 45 3.384 4.944 8.759 1.00 0.00 N ATOM 698 CA LEU A 45 2.021 4.811 9.221 1.00 0.00 C ATOM 699 C LEU A 45 1.865 5.721 10.429 1.00 0.00 C ATOM 700 O LEU A 45 0.847 6.386 10.612 1.00 0.00 O ATOM 701 CB LEU A 45 1.752 3.348 9.592 1.00 0.00 C ATOM 702 CG LEU A 45 0.487 3.226 10.451 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.720 3.815 9.711 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.245 1.748 10.760 1.00 0.00 C ATOM 0 H LEU A 45 3.936 4.088 8.824 1.00 0.00 H new ATOM 0 HA LEU A 45 1.305 5.095 8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.640 2.753 8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.606 2.943 10.135 1.00 0.00 H new ATOM 0 HG LEU A 45 0.620 3.781 11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.610 3.721 10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.537 4.868 9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.872 3.275 8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.652 1.646 11.371 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.114 1.198 9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.101 1.345 11.302 1.00 0.00 H new ATOM 716 N ALA A 46 2.926 5.758 11.224 1.00 0.00 N ATOM 717 CA ALA A 46 2.974 6.592 12.407 1.00 0.00 C ATOM 718 C ALA A 46 2.934 8.045 12.003 1.00 0.00 C ATOM 719 O ALA A 46 2.176 8.846 12.549 1.00 0.00 O ATOM 720 CB ALA A 46 4.276 6.345 13.163 1.00 0.00 C ATOM 0 H ALA A 46 3.772 5.211 11.064 1.00 0.00 H new ATOM 0 HA ALA A 46 2.121 6.350 13.040 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.306 6.975 14.052 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.332 5.297 13.459 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.122 6.585 12.519 1.00 0.00 H new ATOM 726 N GLU A 47 3.754 8.351 11.012 1.00 0.00 N ATOM 727 CA GLU A 47 3.845 9.679 10.472 1.00 0.00 C ATOM 728 C GLU A 47 2.515 10.080 9.899 1.00 0.00 C ATOM 729 O GLU A 47 2.092 11.222 10.011 1.00 0.00 O ATOM 730 CB GLU A 47 4.860 9.676 9.342 1.00 0.00 C ATOM 731 CG GLU A 47 6.294 9.781 9.847 1.00 0.00 C ATOM 732 CD GLU A 47 6.477 10.991 10.773 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.030 12.069 10.412 1.00 0.00 O ATOM 734 OE2 GLU A 47 7.064 10.819 11.828 1.00 0.00 O ATOM 0 H GLU A 47 4.374 7.676 10.564 1.00 0.00 H new ATOM 0 HA GLU A 47 4.140 10.372 11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.749 8.761 8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.653 10.508 8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.560 8.869 10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.974 9.864 8.999 1.00 0.00 H new ATOM 741 N ALA A 48 1.870 9.111 9.277 1.00 0.00 N ATOM 742 CA ALA A 48 0.598 9.327 8.667 1.00 0.00 C ATOM 743 C ALA A 48 -0.427 9.656 9.721 1.00 0.00 C ATOM 744 O ALA A 48 -1.135 10.639 9.599 1.00 0.00 O ATOM 745 CB ALA A 48 0.213 8.068 7.922 1.00 0.00 C ATOM 0 H ALA A 48 2.223 8.158 9.188 1.00 0.00 H new ATOM 0 HA ALA A 48 0.646 10.165 7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.758 8.209 7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.962 7.852 7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.156 7.234 8.622 1.00 0.00 H new ATOM 751 N LYS A 49 -0.461 8.850 10.780 1.00 0.00 N ATOM 752 CA LYS A 49 -1.375 9.099 11.882 1.00 0.00 C ATOM 753 C LYS A 49 -1.086 10.471 12.460 1.00 0.00 C ATOM 754 O LYS A 49 -1.991 11.153 12.936 1.00 0.00 O ATOM 755 CB LYS A 49 -1.232 8.022 12.964 1.00 0.00 C ATOM 756 CG LYS A 49 -1.816 6.698 12.453 1.00 0.00 C ATOM 757 CD LYS A 49 -1.756 5.639 13.562 1.00 0.00 C ATOM 758 CE LYS A 49 -2.277 4.301 13.026 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.539 3.378 14.166 1.00 0.00 N ATOM 0 H LYS A 49 0.130 8.027 10.894 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.400 9.064 11.513 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.182 7.891 13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.749 8.333 13.872 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.848 6.845 12.133 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.258 6.356 11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.731 5.526 13.915 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.354 5.958 14.416 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.191 4.458 12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.547 3.860 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.893 2.470 13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.657 3.220 14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.250 3.799 14.797 1.00 0.00 H new ATOM 773 N LYS A 50 0.184 10.882 12.381 1.00 0.00 N ATOM 774 CA LYS A 50 0.579 12.186 12.868 1.00 0.00 C ATOM 775 C LYS A 50 0.107 13.260 11.910 1.00 0.00 C ATOM 776 O LYS A 50 -0.370 14.314 12.330 1.00 0.00 O ATOM 777 CB LYS A 50 2.104 12.255 13.046 1.00 0.00 C ATOM 778 CG LYS A 50 2.483 12.138 14.540 1.00 0.00 C ATOM 779 CD LYS A 50 3.378 10.909 14.778 1.00 0.00 C ATOM 780 CE LYS A 50 4.735 11.083 14.079 1.00 0.00 C ATOM 781 NZ LYS A 50 5.231 9.752 13.626 1.00 0.00 N ATOM 0 H LYS A 50 0.943 10.327 11.986 1.00 0.00 H new ATOM 0 HA LYS A 50 0.115 12.354 13.840 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.578 11.452 12.481 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.481 13.195 12.642 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.003 13.041 14.860 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.580 12.059 15.145 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.530 10.765 15.848 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.882 10.014 14.403 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.634 11.755 13.227 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.453 11.538 14.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.742 9.860 12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.872 9.358 14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.425 9.109 13.491 1.00 0.00 H new ATOM 795 N LEU A 51 0.232 12.971 10.622 1.00 0.00 N ATOM 796 CA LEU A 51 -0.193 13.905 9.598 1.00 0.00 C ATOM 797 C LEU A 51 -1.709 13.992 9.582 1.00 0.00 C ATOM 798 O LEU A 51 -2.281 15.079 9.495 1.00 0.00 O ATOM 799 CB LEU A 51 0.335 13.481 8.221 1.00 0.00 C ATOM 800 CG LEU A 51 1.654 14.200 7.895 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.482 15.720 8.022 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.771 13.715 8.834 1.00 0.00 C ATOM 0 H LEU A 51 0.623 12.099 10.266 1.00 0.00 H new ATOM 0 HA LEU A 51 0.218 14.888 9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.490 12.402 8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.407 13.709 7.456 1.00 0.00 H new ATOM 0 HG LEU A 51 1.931 13.965 6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.425 16.214 7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.713 16.058 7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.185 15.969 9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.700 14.232 8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.496 13.927 9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.911 12.641 8.709 1.00 0.00 H new ATOM 814 N ASN A 52 -2.347 12.830 9.696 1.00 0.00 N ATOM 815 CA ASN A 52 -3.783 12.745 9.729 1.00 0.00 C ATOM 816 C ASN A 52 -4.272 13.492 10.953 1.00 0.00 C ATOM 817 O ASN A 52 -5.197 14.290 10.879 1.00 0.00 O ATOM 818 CB ASN A 52 -4.187 11.260 9.796 1.00 0.00 C ATOM 819 CG ASN A 52 -5.125 10.974 10.959 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.393 11.074 10.769 1.00 0.00 O flip ATOM 821 ND2 ASN A 52 -4.684 10.647 12.059 1.00 0.00 N flip ATOM 0 H ASN A 52 -1.874 11.929 9.767 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.227 13.188 8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.671 10.974 8.862 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.292 10.645 9.893 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.677 10.570 12.202 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.325 10.453 12.828 1.00 0.00 H new ATOM 828 N ASP A 53 -3.614 13.222 12.080 1.00 0.00 N ATOM 829 CA ASP A 53 -3.969 13.876 13.326 1.00 0.00 C ATOM 830 C ASP A 53 -3.747 15.377 13.211 1.00 0.00 C ATOM 831 O ASP A 53 -4.571 16.176 13.661 1.00 0.00 O ATOM 832 CB ASP A 53 -3.158 13.314 14.495 1.00 0.00 C ATOM 833 CG ASP A 53 -3.544 14.029 15.791 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.551 13.660 16.373 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.832 14.941 16.176 1.00 0.00 O ATOM 0 H ASP A 53 -2.841 12.561 12.150 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.024 13.683 13.521 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.339 12.244 14.593 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.092 13.441 14.303 1.00 0.00 H new ATOM 840 N ALA A 54 -2.634 15.748 12.584 1.00 0.00 N ATOM 841 CA ALA A 54 -2.306 17.147 12.382 1.00 0.00 C ATOM 842 C ALA A 54 -3.382 17.799 11.523 1.00 0.00 C ATOM 843 O ALA A 54 -3.776 18.942 11.757 1.00 0.00 O ATOM 844 CB ALA A 54 -0.944 17.263 11.695 1.00 0.00 C ATOM 0 H ALA A 54 -1.946 15.095 12.208 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.260 17.655 13.345 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.701 18.315 11.545 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.181 16.800 12.320 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.979 16.757 10.730 1.00 0.00 H new ATOM 850 N GLN A 55 -3.863 17.039 10.537 1.00 0.00 N ATOM 851 CA GLN A 55 -4.912 17.510 9.641 1.00 0.00 C ATOM 852 C GLN A 55 -6.298 17.252 10.242 1.00 0.00 C ATOM 853 O GLN A 55 -7.312 17.693 9.696 1.00 0.00 O ATOM 854 CB GLN A 55 -4.769 16.792 8.300 1.00 0.00 C ATOM 855 CG GLN A 55 -3.558 17.356 7.547 1.00 0.00 C ATOM 856 CD GLN A 55 -3.208 16.451 6.375 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.770 15.249 6.612 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.337 16.844 5.216 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.539 16.092 10.341 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.810 18.586 9.497 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.645 15.721 8.460 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.674 16.923 7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.778 18.361 7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.706 17.438 8.221 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.681 17.787 5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.100 16.227 4.439 1.00 0.00 H new ATOM 867 N ALA A 56 -6.326 16.541 11.372 1.00 0.00 N ATOM 868 CA ALA A 56 -7.579 16.226 12.057 1.00 0.00 C ATOM 869 C ALA A 56 -7.925 17.324 13.053 1.00 0.00 C ATOM 870 O ALA A 56 -7.042 17.830 13.747 1.00 0.00 O ATOM 871 CB ALA A 56 -7.465 14.885 12.795 1.00 0.00 C ATOM 0 H ALA A 56 -5.493 16.173 11.831 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.369 16.155 11.309 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.406 14.666 13.299 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.244 14.093 12.079 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.664 14.942 13.532 1.00 0.00 H new ATOM 877 N PRO A 57 -9.186 17.705 13.126 1.00 0.00 N ATOM 878 CA PRO A 57 -9.683 18.761 14.037 1.00 0.00 C ATOM 879 C PRO A 57 -9.088 18.681 15.434 1.00 0.00 C ATOM 880 O PRO A 57 -8.759 17.605 15.941 1.00 0.00 O ATOM 881 CB PRO A 57 -11.196 18.520 14.101 1.00 0.00 C ATOM 882 CG PRO A 57 -11.470 17.320 13.273 1.00 0.00 C ATOM 883 CD PRO A 57 -10.301 17.196 12.329 1.00 0.00 C ATOM 0 HA PRO A 57 -9.405 19.748 13.668 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.520 18.363 15.130 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.742 19.384 13.723 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.567 16.430 13.895 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.406 17.429 12.724 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.139 16.164 12.019 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.450 17.781 11.422 1.00 0.00 H new ATOM 891 N LYS A 58 -8.983 19.849 16.028 1.00 0.00 N ATOM 892 CA LYS A 58 -8.448 20.008 17.385 1.00 0.00 C ATOM 893 C LYS A 58 -9.248 21.059 18.156 1.00 0.00 C ATOM 894 O LYS A 58 -9.570 22.083 17.571 1.00 0.00 O ATOM 895 CB LYS A 58 -6.974 20.424 17.339 1.00 0.00 C ATOM 896 CG LYS A 58 -6.120 19.357 16.630 1.00 0.00 C ATOM 897 CD LYS A 58 -6.027 18.088 17.495 1.00 0.00 C ATOM 898 CE LYS A 58 -5.189 17.024 16.773 1.00 0.00 C ATOM 899 NZ LYS A 58 -6.076 16.199 15.903 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.527 20.827 19.322 1.00 0.00 O ATOM 0 H LYS A 58 -9.265 20.727 15.591 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.532 19.048 17.894 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.878 21.377 16.818 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.604 20.576 18.353 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.558 19.114 15.662 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.121 19.749 16.438 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.576 18.326 18.458 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.026 17.701 17.697 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.415 17.501 16.173 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.683 16.389 17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.937 15.192 16.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.069 16.457 16.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.842 16.373 14.905 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -16.202 -6.114 8.171 1.00 0.00 N ATOM 916 CA VAL B 1 -14.949 -6.320 7.388 1.00 0.00 C ATOM 917 C VAL B 1 -15.303 -6.809 5.982 1.00 0.00 C ATOM 918 O VAL B 1 -16.396 -7.334 5.753 1.00 0.00 O ATOM 919 CB VAL B 1 -14.056 -7.346 8.117 1.00 0.00 C ATOM 920 CG1 VAL B 1 -14.743 -8.719 8.164 1.00 0.00 C ATOM 921 CG2 VAL B 1 -12.705 -7.474 7.393 1.00 0.00 C ATOM 0 H1 VAL B 1 -16.101 -6.551 9.109 1.00 0.00 H new ATOM 0 H2 VAL B 1 -16.379 -5.095 8.281 1.00 0.00 H new ATOM 0 H3 VAL B 1 -17.001 -6.552 7.669 1.00 0.00 H new ATOM 0 HA VAL B 1 -14.402 -5.381 7.301 1.00 0.00 H new ATOM 0 HB VAL B 1 -13.891 -6.997 9.136 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -14.099 -9.430 8.681 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -15.691 -8.634 8.696 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -14.927 -9.069 7.148 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.081 -8.200 7.914 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -12.871 -7.807 6.369 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -12.204 -6.506 7.383 1.00 0.00 H new ATOM 933 N ASP B 2 -14.364 -6.635 5.052 1.00 0.00 N ATOM 934 CA ASP B 2 -14.559 -7.059 3.666 1.00 0.00 C ATOM 935 C ASP B 2 -14.404 -8.579 3.542 1.00 0.00 C ATOM 936 O ASP B 2 -14.460 -9.301 4.540 1.00 0.00 O ATOM 937 CB ASP B 2 -13.537 -6.349 2.763 1.00 0.00 C ATOM 938 CG ASP B 2 -12.122 -6.851 3.064 1.00 0.00 C ATOM 939 OD1 ASP B 2 -11.577 -6.453 4.081 1.00 0.00 O ATOM 940 OD2 ASP B 2 -11.603 -7.625 2.273 1.00 0.00 O ATOM 0 H ASP B 2 -13.459 -6.202 5.234 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.568 -6.790 3.352 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -13.779 -6.530 1.716 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -13.589 -5.272 2.920 1.00 0.00 H new ATOM 945 N ASN B 3 -14.204 -9.048 2.309 1.00 0.00 N ATOM 946 CA ASN B 3 -14.032 -10.471 2.039 1.00 0.00 C ATOM 947 C ASN B 3 -12.826 -11.029 2.804 1.00 0.00 C ATOM 948 O ASN B 3 -12.022 -10.271 3.355 1.00 0.00 O ATOM 949 CB ASN B 3 -13.832 -10.679 0.528 1.00 0.00 C ATOM 950 CG ASN B 3 -13.923 -12.161 0.155 1.00 0.00 C ATOM 951 OD1 ASN B 3 -14.620 -12.936 0.812 1.00 0.00 O ATOM 952 ND2 ASN B 3 -13.251 -12.604 -0.871 1.00 0.00 N ATOM 0 H ASN B 3 -14.157 -8.457 1.479 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.923 -11.003 2.372 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -14.586 -10.116 -0.022 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.860 -10.285 0.230 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -13.303 -13.590 -1.128 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -12.673 -11.965 -1.417 1.00 0.00 H new ATOM 959 N LYS B 4 -12.707 -12.359 2.821 1.00 0.00 N ATOM 960 CA LYS B 4 -11.597 -13.027 3.507 1.00 0.00 C ATOM 961 C LYS B 4 -10.255 -12.525 2.978 1.00 0.00 C ATOM 962 O LYS B 4 -9.220 -12.660 3.636 1.00 0.00 O ATOM 963 CB LYS B 4 -11.714 -14.547 3.319 1.00 0.00 C ATOM 964 CG LYS B 4 -11.523 -14.914 1.843 1.00 0.00 C ATOM 965 CD LYS B 4 -11.816 -16.401 1.638 1.00 0.00 C ATOM 966 CE LYS B 4 -13.325 -16.640 1.726 1.00 0.00 C ATOM 967 NZ LYS B 4 -13.662 -17.946 1.095 1.00 0.00 N ATOM 0 H LYS B 4 -13.364 -12.994 2.368 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.648 -12.794 4.571 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -10.965 -15.055 3.927 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -12.690 -14.889 3.663 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.187 -14.314 1.221 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -10.503 -14.688 1.531 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -11.441 -16.726 0.667 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.299 -16.992 2.394 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -13.644 -16.635 2.768 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -13.861 -15.834 1.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -14.688 -18.107 1.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -13.372 -17.934 0.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -13.162 -18.711 1.592 1.00 0.00 H new ATOM 981 N PHE B 5 -10.298 -11.946 1.783 1.00 0.00 N ATOM 982 CA PHE B 5 -9.117 -11.413 1.130 1.00 0.00 C ATOM 983 C PHE B 5 -8.527 -10.223 1.876 1.00 0.00 C ATOM 984 O PHE B 5 -7.545 -9.663 1.426 1.00 0.00 O ATOM 985 CB PHE B 5 -9.463 -11.013 -0.308 1.00 0.00 C ATOM 986 CG PHE B 5 -9.438 -12.247 -1.171 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.285 -13.318 -0.870 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.560 -12.329 -2.258 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.255 -14.473 -1.652 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.532 -13.484 -3.043 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.378 -14.556 -2.739 1.00 0.00 C ATOM 0 H PHE B 5 -11.156 -11.835 1.242 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.359 -12.197 1.129 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.447 -10.546 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.748 -10.278 -0.678 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.963 -13.251 -0.032 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.906 -11.501 -2.489 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.907 -15.301 -1.419 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.858 -13.549 -3.884 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.354 -15.450 -3.345 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.101 -9.846 3.022 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.546 -8.729 3.792 1.00 0.00 C ATOM 1003 C ASN B 6 -7.080 -9.022 4.079 1.00 0.00 C ATOM 1004 O ASN B 6 -6.220 -8.177 3.850 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.324 -8.548 5.105 1.00 0.00 C ATOM 1006 CG ASN B 6 -9.055 -7.170 5.719 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.765 -6.754 6.634 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -8.074 -6.430 5.277 1.00 0.00 N ATOM 0 H ASN B 6 -9.927 -10.284 3.429 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.632 -7.805 3.220 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.392 -8.664 4.918 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.037 -9.327 5.812 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.900 -5.514 5.690 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -7.481 -6.768 4.519 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.810 -10.252 4.515 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.444 -10.695 4.771 1.00 0.00 C ATOM 1017 C LYS B 7 -4.656 -10.723 3.463 1.00 0.00 C ATOM 1018 O LYS B 7 -3.525 -10.240 3.388 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.475 -12.106 5.381 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.050 -12.662 5.525 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.109 -14.119 6.001 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.712 -14.746 5.922 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.330 -14.929 4.491 1.00 0.00 N ATOM 0 H LYS B 7 -7.522 -10.959 4.698 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.963 -10.005 5.464 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.960 -12.076 6.357 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.068 -12.768 4.750 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.528 -12.602 4.570 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.484 -12.060 6.236 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.480 -14.162 7.025 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.807 -14.685 5.385 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -1.986 -14.107 6.425 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -2.703 -15.706 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -1.981 -15.898 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.160 -14.766 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.582 -14.250 4.242 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.282 -11.309 2.443 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.678 -11.446 1.119 1.00 0.00 C ATOM 1039 C GLU B 8 -4.396 -10.085 0.486 1.00 0.00 C ATOM 1040 O GLU B 8 -3.413 -9.916 -0.240 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.635 -12.246 0.214 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.898 -13.640 0.816 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.582 -14.333 1.187 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.784 -14.570 0.294 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.395 -14.618 2.361 1.00 0.00 O ATOM 0 H GLU B 8 -6.221 -11.702 2.511 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.727 -11.967 1.226 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.576 -11.707 0.102 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.205 -12.348 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.526 -13.545 1.702 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.447 -14.252 0.100 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.270 -9.126 0.766 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.146 -7.786 0.237 1.00 0.00 C ATOM 1054 C ARG B 9 -3.924 -7.090 0.827 1.00 0.00 C ATOM 1055 O ARG B 9 -3.192 -6.405 0.125 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.406 -6.985 0.581 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.334 -5.608 -0.083 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.527 -4.757 0.356 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.508 -4.585 1.806 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.611 -4.715 2.532 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.369 -5.758 2.379 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -8.935 -3.802 3.400 1.00 0.00 N ATOM 0 H ARG B 9 -6.083 -9.262 1.367 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.028 -7.844 -0.845 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.293 -7.519 0.240 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.496 -6.875 1.662 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.402 -5.112 0.188 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.333 -5.717 -1.168 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.491 -3.784 -0.135 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.458 -5.235 0.050 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.628 -4.360 2.271 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.116 -6.477 1.701 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.217 -5.858 2.937 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.340 -2.983 3.524 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.784 -3.905 3.956 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.719 -7.284 2.133 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.592 -6.670 2.840 1.00 0.00 C ATOM 1078 C VAL B 10 -1.286 -7.106 2.195 1.00 0.00 C ATOM 1079 O VAL B 10 -0.348 -6.320 2.066 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.589 -7.096 4.320 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.507 -6.330 5.098 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.982 -6.879 4.953 1.00 0.00 C ATOM 0 H VAL B 10 -4.319 -7.862 2.722 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.693 -5.586 2.780 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.357 -8.160 4.373 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.519 -6.643 6.142 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.529 -6.543 4.666 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.705 -5.260 5.038 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.958 -7.186 5.999 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.250 -5.824 4.891 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.722 -7.473 4.417 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.243 -8.369 1.793 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.059 -8.929 1.158 1.00 0.00 C ATOM 1094 C ILE B 11 0.137 -8.303 -0.221 1.00 0.00 C ATOM 1095 O ILE B 11 1.266 -8.002 -0.613 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.191 -10.454 1.036 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.796 -11.036 2.344 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.198 -11.051 0.774 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.133 -12.081 2.997 1.00 0.00 C ATOM 0 H ILE B 11 -2.016 -9.026 1.896 1.00 0.00 H new ATOM 0 HA ILE B 11 0.811 -8.705 1.775 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.854 -10.707 0.209 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.982 -10.226 3.049 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.760 -11.495 2.124 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.118 -12.134 0.685 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.602 -10.640 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.863 -10.803 1.602 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.330 -12.461 3.908 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.298 -12.905 2.303 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.088 -11.616 3.242 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.972 -8.091 -0.943 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.918 -7.480 -2.262 1.00 0.00 C ATOM 1113 C ALA B 12 -0.447 -6.064 -2.141 1.00 0.00 C ATOM 1114 O ALA B 12 0.449 -5.666 -2.864 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.298 -7.504 -2.908 1.00 0.00 C ATOM 0 H ALA B 12 -1.911 -8.336 -0.630 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.224 -8.044 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.246 -7.044 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.636 -8.536 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.001 -6.949 -2.286 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.024 -5.330 -1.192 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.624 -3.951 -0.962 1.00 0.00 C ATOM 1123 C ILE B 13 0.862 -3.959 -0.681 1.00 0.00 C ATOM 1124 O ILE B 13 1.608 -3.169 -1.232 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.411 -3.377 0.232 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.896 -3.411 -0.093 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.032 -1.922 0.496 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.724 -3.238 1.168 1.00 0.00 C ATOM 0 H ILE B 13 -1.764 -5.667 -0.576 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.836 -3.324 -1.828 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.177 -3.978 1.110 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.136 -2.620 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.147 -4.357 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.604 -1.545 1.344 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.033 -1.858 0.719 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.254 -1.322 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.784 -3.265 0.914 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.497 -4.044 1.866 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.486 -2.280 1.631 1.00 0.00 H new ATOM 1140 N GLY B 14 1.282 -4.914 0.131 1.00 0.00 N ATOM 1141 CA GLY B 14 2.692 -5.073 0.444 1.00 0.00 C ATOM 1142 C GLY B 14 3.493 -5.358 -0.818 1.00 0.00 C ATOM 1143 O GLY B 14 4.586 -4.831 -0.998 1.00 0.00 O ATOM 0 H GLY B 14 0.668 -5.590 0.585 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.068 -4.169 0.923 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.822 -5.888 1.156 1.00 0.00 H new ATOM 1147 N GLU B 15 2.935 -6.192 -1.694 1.00 0.00 N ATOM 1148 CA GLU B 15 3.604 -6.551 -2.930 1.00 0.00 C ATOM 1149 C GLU B 15 3.726 -5.343 -3.832 1.00 0.00 C ATOM 1150 O GLU B 15 4.783 -5.124 -4.415 1.00 0.00 O ATOM 1151 CB GLU B 15 2.835 -7.664 -3.635 1.00 0.00 C ATOM 1152 CG GLU B 15 3.772 -8.471 -4.555 1.00 0.00 C ATOM 1153 CD GLU B 15 3.521 -9.969 -4.370 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.451 -10.423 -4.740 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.402 -10.639 -3.858 1.00 0.00 O ATOM 0 H GLU B 15 2.022 -6.628 -1.565 1.00 0.00 H new ATOM 0 HA GLU B 15 4.606 -6.910 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.383 -8.326 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.021 -7.237 -4.220 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.604 -8.191 -5.595 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.811 -8.237 -4.326 1.00 0.00 H new ATOM 1162 N ILE B 16 2.653 -4.543 -3.939 1.00 0.00 N ATOM 1163 CA ILE B 16 2.736 -3.350 -4.806 1.00 0.00 C ATOM 1164 C ILE B 16 3.890 -2.479 -4.322 1.00 0.00 C ATOM 1165 O ILE B 16 4.751 -2.054 -5.092 1.00 0.00 O ATOM 1166 CB ILE B 16 1.487 -2.423 -4.739 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.159 -3.178 -4.645 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.456 -1.531 -5.984 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.147 -3.881 -5.952 1.00 0.00 C ATOM 0 H ILE B 16 1.761 -4.685 -3.465 1.00 0.00 H new ATOM 0 HA ILE B 16 2.845 -3.734 -5.820 1.00 0.00 H new ATOM 0 HB ILE B 16 1.586 -1.839 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.205 -3.907 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.645 -2.483 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.583 -0.879 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.361 -0.924 -6.019 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.402 -2.154 -6.877 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.095 -4.412 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.215 -3.145 -6.754 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.648 -4.592 -6.178 1.00 0.00 H new ATOM 1181 N MET B 17 3.860 -2.220 -3.025 1.00 0.00 N ATOM 1182 CA MET B 17 4.852 -1.399 -2.352 1.00 0.00 C ATOM 1183 C MET B 17 6.253 -2.010 -2.480 1.00 0.00 C ATOM 1184 O MET B 17 7.239 -1.279 -2.590 1.00 0.00 O ATOM 1185 CB MET B 17 4.426 -1.245 -0.901 1.00 0.00 C ATOM 1186 CG MET B 17 2.988 -0.697 -0.862 1.00 0.00 C ATOM 1187 SD MET B 17 2.980 1.020 -1.384 1.00 0.00 S ATOM 1188 CE MET B 17 3.844 1.644 0.055 1.00 0.00 C ATOM 0 H MET B 17 3.136 -2.579 -2.402 1.00 0.00 H new ATOM 0 HA MET B 17 4.909 -0.415 -2.818 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.478 -2.206 -0.388 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.102 -0.568 -0.379 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.345 -1.288 -1.514 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.583 -0.782 0.146 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.195 2.329 0.600 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.120 0.812 0.703 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.744 2.171 -0.261 1.00 0.00 H new ATOM 1198 N ARG B 18 6.336 -3.349 -2.499 1.00 0.00 N ATOM 1199 CA ARG B 18 7.624 -4.030 -2.655 1.00 0.00 C ATOM 1200 C ARG B 18 8.204 -3.778 -4.042 1.00 0.00 C ATOM 1201 O ARG B 18 9.418 -3.630 -4.194 1.00 0.00 O ATOM 1202 CB ARG B 18 7.473 -5.532 -2.452 1.00 0.00 C ATOM 1203 CG ARG B 18 7.319 -5.858 -0.963 1.00 0.00 C ATOM 1204 CD ARG B 18 8.371 -6.883 -0.530 1.00 0.00 C ATOM 1205 NE ARG B 18 8.184 -8.145 -1.245 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.147 -8.938 -0.996 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.196 -9.782 -0.005 1.00 0.00 N ATOM 1208 NH2 ARG B 18 6.081 -8.870 -1.742 1.00 0.00 N ATOM 0 H ARG B 18 5.534 -3.973 -2.409 1.00 0.00 H new ATOM 0 HA ARG B 18 8.298 -3.628 -1.899 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.604 -5.894 -3.002 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.344 -6.049 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG B 18 7.424 -4.948 -0.372 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.320 -6.249 -0.771 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.370 -6.492 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.300 -7.053 0.544 1.00 0.00 H new ATOM 0 HE ARG B 18 8.865 -8.423 -1.951 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.030 -9.834 0.580 1.00 0.00 H new ATOM 0 HH12 ARG B 18 6.400 -10.391 0.186 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.042 -8.208 -2.517 1.00 0.00 H new ATOM 0 HH22 ARG B 18 5.285 -9.479 -1.551 1.00 0.00 H new ATOM 1222 N LEU B 19 7.324 -3.739 -5.052 1.00 0.00 N ATOM 1223 CA LEU B 19 7.754 -3.511 -6.432 1.00 0.00 C ATOM 1224 C LEU B 19 8.520 -2.200 -6.531 1.00 0.00 C ATOM 1225 O LEU B 19 7.945 -1.135 -6.336 1.00 0.00 O ATOM 1226 CB LEU B 19 6.543 -3.454 -7.372 1.00 0.00 C ATOM 1227 CG LEU B 19 5.800 -4.792 -7.422 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.496 -4.620 -8.195 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.646 -5.836 -8.127 1.00 0.00 C ATOM 0 H LEU B 19 6.318 -3.862 -4.938 1.00 0.00 H new ATOM 0 HA LEU B 19 8.400 -4.338 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.861 -2.671 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.873 -3.184 -8.375 1.00 0.00 H new ATOM 0 HG LEU B 19 5.596 -5.117 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.966 -5.572 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.873 -3.877 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.716 -4.288 -9.210 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.106 -6.783 -8.156 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.856 -5.507 -9.145 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.584 -5.969 -7.588 1.00 0.00 H new ATOM 1241 N PRO B 20 9.804 -2.253 -6.812 1.00 0.00 N ATOM 1242 CA PRO B 20 10.652 -1.036 -6.918 1.00 0.00 C ATOM 1243 C PRO B 20 10.485 -0.277 -8.240 1.00 0.00 C ATOM 1244 O PRO B 20 10.989 0.841 -8.368 1.00 0.00 O ATOM 1245 CB PRO B 20 12.086 -1.575 -6.780 1.00 0.00 C ATOM 1246 CG PRO B 20 11.990 -3.054 -6.595 1.00 0.00 C ATOM 1247 CD PRO B 20 10.606 -3.462 -7.059 1.00 0.00 C ATOM 0 HA PRO B 20 10.377 -0.305 -6.157 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.673 -1.336 -7.667 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.590 -1.114 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.759 -3.567 -7.173 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.143 -3.324 -5.550 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.600 -3.742 -8.112 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.229 -4.318 -6.499 1.00 0.00 H new ATOM 1255 N ASN B 21 9.806 -0.880 -9.223 1.00 0.00 N ATOM 1256 CA ASN B 21 9.632 -0.225 -10.521 1.00 0.00 C ATOM 1257 C ASN B 21 8.311 0.540 -10.601 1.00 0.00 C ATOM 1258 O ASN B 21 8.167 1.427 -11.447 1.00 0.00 O ATOM 1259 CB ASN B 21 9.714 -1.256 -11.652 1.00 0.00 C ATOM 1260 CG ASN B 21 11.019 -2.046 -11.566 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.019 -3.313 -11.870 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 12.065 -1.495 -11.221 1.00 0.00 N flip ATOM 0 H ASN B 21 9.376 -1.802 -9.146 1.00 0.00 H new ATOM 0 HA ASN B 21 10.440 0.498 -10.633 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.865 -1.938 -11.592 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.651 -0.752 -12.616 1.00 0.00 H new ATOM 0 HD21 ASN B 21 12.065 -0.503 -10.983 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.932 -2.031 -11.173 1.00 0.00 H new ATOM 1269 N LEU B 22 7.347 0.217 -9.726 1.00 0.00 N ATOM 1270 CA LEU B 22 6.065 0.924 -9.747 1.00 0.00 C ATOM 1271 C LEU B 22 6.222 2.354 -9.249 1.00 0.00 C ATOM 1272 O LEU B 22 7.135 2.671 -8.485 1.00 0.00 O ATOM 1273 CB LEU B 22 4.999 0.234 -8.867 1.00 0.00 C ATOM 1274 CG LEU B 22 4.695 -1.189 -9.336 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.395 -1.680 -8.686 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.521 -1.198 -10.834 1.00 0.00 C ATOM 0 H LEU B 22 7.429 -0.509 -9.015 1.00 0.00 H new ATOM 0 HA LEU B 22 5.736 0.913 -10.786 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.345 0.208 -7.834 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.082 0.823 -8.881 1.00 0.00 H new ATOM 0 HG LEU B 22 5.520 -1.842 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.181 -2.695 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.505 -1.673 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.574 -1.022 -8.972 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.304 -2.212 -11.169 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.696 -0.541 -11.108 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.437 -0.847 -11.309 1.00 0.00 H new ATOM 1288 N ASN B 23 5.290 3.197 -9.668 1.00 0.00 N ATOM 1289 CA ASN B 23 5.262 4.589 -9.247 1.00 0.00 C ATOM 1290 C ASN B 23 4.442 4.652 -7.955 1.00 0.00 C ATOM 1291 O ASN B 23 3.589 3.794 -7.730 1.00 0.00 O ATOM 1292 CB ASN B 23 4.641 5.412 -10.414 1.00 0.00 C ATOM 1293 CG ASN B 23 3.640 6.477 -9.973 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.829 7.148 -8.977 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.574 6.678 -10.697 1.00 0.00 N ATOM 0 H ASN B 23 4.537 2.938 -10.305 1.00 0.00 H new ATOM 0 HA ASN B 23 6.247 5.006 -9.037 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.445 5.895 -10.970 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.145 4.727 -11.101 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.902 7.396 -10.427 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.412 6.117 -11.533 1.00 0.00 H new ATOM 1302 N SER B 24 4.686 5.658 -7.110 1.00 0.00 N ATOM 1303 CA SER B 24 3.936 5.776 -5.856 1.00 0.00 C ATOM 1304 C SER B 24 2.454 5.914 -6.173 1.00 0.00 C ATOM 1305 O SER B 24 1.608 5.274 -5.552 1.00 0.00 O ATOM 1306 CB SER B 24 4.423 6.981 -5.051 1.00 0.00 C ATOM 1307 OG SER B 24 5.815 6.847 -4.804 1.00 0.00 O ATOM 0 H SER B 24 5.381 6.388 -7.266 1.00 0.00 H new ATOM 0 HA SER B 24 4.097 4.882 -5.254 1.00 0.00 H new ATOM 0 HB2 SER B 24 4.226 7.903 -5.599 1.00 0.00 H new ATOM 0 HB3 SER B 24 3.879 7.048 -4.109 1.00 0.00 H new ATOM 0 HG SER B 24 6.250 7.720 -4.902 1.00 0.00 H new ATOM 1313 N LEU B 25 2.168 6.725 -7.187 1.00 0.00 N ATOM 1314 CA LEU B 25 0.809 6.929 -7.651 1.00 0.00 C ATOM 1315 C LEU B 25 0.304 5.665 -8.341 1.00 0.00 C ATOM 1316 O LEU B 25 -0.871 5.316 -8.217 1.00 0.00 O ATOM 1317 CB LEU B 25 0.739 8.123 -8.614 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.048 9.256 -7.982 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.101 10.456 -8.936 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.457 8.756 -7.683 1.00 0.00 C ATOM 0 H LEU B 25 2.870 7.254 -7.704 1.00 0.00 H new ATOM 0 HA LEU B 25 0.175 7.146 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.745 8.462 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.268 7.819 -9.549 1.00 0.00 H new ATOM 0 HG LEU B 25 0.434 9.576 -7.059 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.668 11.264 -8.473 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.912 10.798 -9.147 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.585 10.160 -9.867 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.039 9.558 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.936 8.442 -8.610 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.405 7.911 -6.997 1.00 0.00 H new ATOM 1332 N GLN B 26 1.206 4.962 -9.041 1.00 0.00 N ATOM 1333 CA GLN B 26 0.820 3.712 -9.707 1.00 0.00 C ATOM 1334 C GLN B 26 0.418 2.702 -8.652 1.00 0.00 C ATOM 1335 O GLN B 26 -0.524 1.931 -8.822 1.00 0.00 O ATOM 1336 CB GLN B 26 1.994 3.114 -10.482 1.00 0.00 C ATOM 1337 CG GLN B 26 1.889 3.401 -11.986 1.00 0.00 C ATOM 1338 CD GLN B 26 3.098 2.807 -12.698 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.938 2.063 -12.029 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.275 3.012 -13.898 1.00 0.00 N flip ATOM 0 H GLN B 26 2.183 5.229 -9.159 1.00 0.00 H new ATOM 0 HA GLN B 26 0.003 3.932 -10.394 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.929 3.523 -10.098 1.00 0.00 H new ATOM 0 HB3 GLN B 26 2.026 2.037 -10.319 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.970 2.973 -12.386 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.842 4.476 -12.160 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.618 3.593 -14.418 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.079 2.601 -14.373 1.00 0.00 H new ATOM 1349 N VAL B 27 1.157 2.733 -7.554 1.00 0.00 N ATOM 1350 CA VAL B 27 0.907 1.843 -6.442 1.00 0.00 C ATOM 1351 C VAL B 27 -0.440 2.174 -5.847 1.00 0.00 C ATOM 1352 O VAL B 27 -1.240 1.285 -5.587 1.00 0.00 O ATOM 1353 CB VAL B 27 2.044 1.952 -5.420 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.695 1.183 -4.135 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.312 1.357 -6.054 1.00 0.00 C ATOM 0 H VAL B 27 1.940 3.372 -7.413 1.00 0.00 H new ATOM 0 HA VAL B 27 0.882 0.806 -6.776 1.00 0.00 H new ATOM 0 HB VAL B 27 2.201 2.997 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.515 1.273 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.787 1.599 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.535 0.131 -4.373 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.138 1.422 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.135 0.312 -6.310 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.563 1.914 -6.957 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.707 3.465 -5.708 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.986 3.917 -5.219 1.00 0.00 C ATOM 1367 C VAL B 28 -3.068 3.420 -6.181 1.00 0.00 C ATOM 1368 O VAL B 28 -4.174 3.097 -5.766 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.023 5.449 -5.122 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.395 5.876 -4.601 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.927 5.946 -4.161 1.00 0.00 C ATOM 0 H VAL B 28 -0.049 4.212 -5.929 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.159 3.519 -4.219 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.846 5.881 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.434 6.963 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.168 5.531 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.562 5.439 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.963 7.034 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.092 5.521 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.050 5.635 -4.531 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.719 3.352 -7.471 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.640 2.883 -8.496 1.00 0.00 C ATOM 1383 C ALA B 29 -4.066 1.458 -8.179 1.00 0.00 C ATOM 1384 O ALA B 29 -5.251 1.118 -8.245 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.942 2.919 -9.866 1.00 0.00 C ATOM 0 H ALA B 29 -1.800 3.619 -7.824 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.519 3.527 -8.520 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.631 2.568 -10.635 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.636 3.941 -10.092 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.064 2.274 -9.844 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.083 0.635 -7.816 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.331 -0.731 -7.475 1.00 0.00 C ATOM 1393 C PHE B 30 -4.024 -0.817 -6.114 1.00 0.00 C ATOM 1394 O PHE B 30 -5.013 -1.528 -5.976 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.991 -1.483 -7.506 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.451 -1.473 -8.938 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.233 -1.971 -10.003 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.185 -0.914 -9.220 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.750 -1.912 -11.308 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.277 -0.856 -10.532 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.504 -1.354 -11.574 1.00 0.00 C ATOM 0 H PHE B 30 -2.103 0.912 -7.756 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.005 -1.198 -8.193 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.278 -1.011 -6.831 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.126 -2.508 -7.161 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.205 -2.398 -9.806 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.426 -0.531 -8.416 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.347 -2.302 -12.119 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.244 -0.424 -10.743 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.141 -1.306 -12.590 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.536 -0.051 -5.129 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.147 -0.044 -3.793 1.00 0.00 C ATOM 1413 C ILE B 31 -5.619 0.365 -3.895 1.00 0.00 C ATOM 1414 O ILE B 31 -6.494 -0.276 -3.312 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.389 0.930 -2.870 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.931 0.468 -2.695 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.060 0.964 -1.491 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.103 1.610 -2.093 1.00 0.00 C ATOM 0 H ILE B 31 -2.729 0.565 -5.230 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.087 -1.047 -3.370 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.408 1.922 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.891 -0.407 -2.046 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.514 0.170 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.521 1.654 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.093 1.297 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.044 -0.034 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.070 1.284 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.134 2.472 -2.759 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.516 1.886 -1.123 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.877 1.417 -4.663 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.246 1.903 -4.875 1.00 0.00 C ATOM 1432 C ASN B 32 -8.122 0.812 -5.492 1.00 0.00 C ATOM 1433 O ASN B 32 -9.323 0.752 -5.222 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.257 3.113 -5.825 1.00 0.00 C ATOM 1435 CG ASN B 32 -7.131 4.425 -5.056 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -6.243 5.302 -5.430 1.00 0.00 O flip ATOM 1437 ND2 ASN B 32 -7.871 4.664 -4.103 1.00 0.00 N flip ATOM 0 H ASN B 32 -5.160 1.953 -5.152 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.638 2.190 -3.899 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.436 3.026 -6.537 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.181 3.115 -6.403 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -8.566 3.976 -3.812 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.790 5.550 -3.604 1.00 0.00 H new ATOM 1444 N SER B 33 -7.520 -0.048 -6.323 1.00 0.00 N ATOM 1445 CA SER B 33 -8.255 -1.111 -6.963 1.00 0.00 C ATOM 1446 C SER B 33 -8.534 -2.216 -5.958 1.00 0.00 C ATOM 1447 O SER B 33 -9.551 -2.896 -6.054 1.00 0.00 O ATOM 1448 CB SER B 33 -7.508 -1.599 -8.191 1.00 0.00 C ATOM 1449 OG SER B 33 -7.866 -0.791 -9.306 1.00 0.00 O ATOM 0 H SER B 33 -6.528 -0.017 -6.558 1.00 0.00 H new ATOM 0 HA SER B 33 -9.220 -0.744 -7.312 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.432 -1.550 -8.021 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.752 -2.643 -8.389 1.00 0.00 H new ATOM 0 HG SER B 33 -7.385 -1.100 -10.102 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.653 -2.358 -4.956 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.885 -3.349 -3.906 1.00 0.00 C ATOM 1457 C LEU B 34 -9.162 -2.928 -3.203 1.00 0.00 C ATOM 1458 O LEU B 34 -10.064 -3.730 -2.966 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.737 -3.368 -2.890 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.380 -3.447 -3.599 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.279 -3.721 -2.599 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.403 -4.557 -4.613 1.00 0.00 C ATOM 0 H LEU B 34 -6.797 -1.813 -4.855 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.955 -4.347 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.778 -2.471 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.852 -4.221 -2.221 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.191 -2.494 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.322 -3.774 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.249 -2.918 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.472 -4.668 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.437 -4.611 -5.115 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.605 -5.504 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.184 -4.362 -5.348 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.227 -1.623 -2.933 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.409 -1.009 -2.322 1.00 0.00 C ATOM 1476 C ARG B 35 -11.630 -1.311 -3.190 1.00 0.00 C ATOM 1477 O ARG B 35 -12.688 -1.698 -2.689 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.213 0.520 -2.267 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.126 1.026 -0.819 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.790 1.745 -0.595 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.453 1.752 0.824 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.240 2.344 1.715 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.246 1.694 2.224 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.006 3.572 2.081 1.00 0.00 N ATOM 0 H ARG B 35 -8.471 -0.967 -3.129 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.552 -1.406 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.303 0.791 -2.803 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -11.041 1.012 -2.776 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.953 1.705 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.219 0.190 -0.126 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.002 1.248 -1.161 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.853 2.768 -0.966 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.597 1.294 1.138 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.429 0.732 1.938 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -10.852 2.147 2.909 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.217 4.081 1.683 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.612 4.024 2.765 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.449 -1.136 -4.501 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.505 -1.390 -5.476 1.00 0.00 C ATOM 1500 C ASP B 36 -12.883 -2.871 -5.502 1.00 0.00 C ATOM 1501 O ASP B 36 -14.052 -3.221 -5.669 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.026 -0.956 -6.869 1.00 0.00 C ATOM 1503 CG ASP B 36 -13.148 -1.129 -7.893 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -13.965 -0.230 -8.007 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -13.175 -2.161 -8.544 1.00 0.00 O ATOM 0 H ASP B 36 -10.572 -0.816 -4.912 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.387 -0.817 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.706 0.086 -6.843 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -11.160 -1.549 -7.164 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.873 -3.728 -5.356 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.079 -5.174 -5.385 1.00 0.00 C ATOM 1512 C ASP B 37 -10.985 -5.903 -4.612 1.00 0.00 C ATOM 1513 O ASP B 37 -9.905 -6.175 -5.146 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.091 -5.667 -6.839 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.524 -5.879 -7.321 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.064 -6.943 -7.060 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.058 -4.980 -7.947 1.00 0.00 O ATOM 0 H ASP B 37 -10.903 -3.445 -5.216 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.037 -5.389 -4.912 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.590 -4.941 -7.479 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.533 -6.600 -6.917 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.257 -6.245 -3.377 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.293 -6.986 -2.531 1.00 0.00 C ATOM 1524 C PRO B 38 -10.147 -8.434 -2.997 1.00 0.00 C ATOM 1525 O PRO B 38 -9.108 -9.061 -2.788 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.879 -6.925 -1.120 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.150 -6.137 -1.189 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.510 -5.964 -2.659 1.00 0.00 C ATOM 0 HA PRO B 38 -9.294 -6.552 -2.581 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.072 -7.929 -0.742 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.175 -6.456 -0.433 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.949 -6.654 -0.658 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.024 -5.166 -0.709 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.302 -6.651 -2.958 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.868 -4.955 -2.865 1.00 0.00 H new ATOM 1536 N SER B 39 -11.199 -8.944 -3.646 1.00 0.00 N ATOM 1537 CA SER B 39 -11.189 -10.307 -4.160 1.00 0.00 C ATOM 1538 C SER B 39 -10.180 -10.408 -5.290 1.00 0.00 C ATOM 1539 O SER B 39 -9.452 -11.397 -5.403 1.00 0.00 O ATOM 1540 CB SER B 39 -12.585 -10.692 -4.660 1.00 0.00 C ATOM 1541 OG SER B 39 -12.962 -9.828 -5.725 1.00 0.00 O ATOM 0 H SER B 39 -12.063 -8.431 -3.825 1.00 0.00 H new ATOM 0 HA SER B 39 -10.907 -10.994 -3.362 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.589 -11.728 -4.999 1.00 0.00 H new ATOM 0 HB3 SER B 39 -13.307 -10.620 -3.846 1.00 0.00 H new ATOM 0 HG SER B 39 -13.854 -10.075 -6.046 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.127 -9.351 -6.107 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.193 -9.289 -7.212 1.00 0.00 C ATOM 1549 C GLN B 40 -7.996 -8.444 -6.826 1.00 0.00 C ATOM 1550 O GLN B 40 -7.293 -7.936 -7.694 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.839 -8.740 -8.495 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.377 -8.836 -8.441 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.992 -7.973 -9.538 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.595 -6.740 -9.674 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -12.850 -8.433 -10.289 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.725 -8.530 -6.015 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.871 -10.308 -7.426 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.543 -7.700 -8.636 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.469 -9.296 -9.356 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.689 -9.873 -8.564 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.736 -8.509 -7.465 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.159 -9.399 -10.180 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.253 -7.849 -11.021 1.00 0.00 H new ATOM 1564 N SER B 41 -7.747 -8.308 -5.518 1.00 0.00 N ATOM 1565 CA SER B 41 -6.605 -7.538 -5.067 1.00 0.00 C ATOM 1566 C SER B 41 -5.346 -8.096 -5.705 1.00 0.00 C ATOM 1567 O SER B 41 -4.400 -7.373 -5.998 1.00 0.00 O ATOM 1568 CB SER B 41 -6.500 -7.633 -3.540 1.00 0.00 C ATOM 1569 OG SER B 41 -5.265 -7.084 -3.092 1.00 0.00 O ATOM 0 H SER B 41 -8.314 -8.716 -4.774 1.00 0.00 H new ATOM 0 HA SER B 41 -6.725 -6.493 -5.354 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.331 -7.100 -3.078 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.577 -8.675 -3.228 1.00 0.00 H new ATOM 0 HG SER B 41 -4.656 -6.985 -3.853 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.389 -9.396 -5.924 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.308 -10.132 -6.548 1.00 0.00 C ATOM 1577 C ALA B 42 -4.239 -9.827 -8.046 1.00 0.00 C ATOM 1578 O ALA B 42 -3.189 -9.972 -8.662 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.569 -11.622 -6.354 1.00 0.00 C ATOM 0 H ALA B 42 -6.187 -9.978 -5.670 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.362 -9.840 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.766 -12.195 -6.817 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.609 -11.849 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.519 -11.888 -6.818 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.390 -9.441 -8.613 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.517 -9.148 -10.038 1.00 0.00 C ATOM 1587 C ASN B 43 -4.810 -7.870 -10.436 1.00 0.00 C ATOM 1588 O ASN B 43 -3.987 -7.866 -11.344 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.980 -9.000 -10.363 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.215 -9.150 -11.864 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.815 -8.207 -12.673 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.765 -10.154 -12.312 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.258 -9.324 -8.091 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.055 -9.968 -10.588 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.556 -9.751 -9.822 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.335 -8.025 -10.029 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.077 -10.890 -11.679 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.909 -10.251 -13.317 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.133 -6.782 -9.747 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.504 -5.527 -10.037 1.00 0.00 C ATOM 1601 C LEU B 44 -3.095 -5.582 -9.476 1.00 0.00 C ATOM 1602 O LEU B 44 -2.177 -4.972 -10.001 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.362 -4.316 -9.600 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.520 -4.156 -8.099 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.438 -5.229 -7.546 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.183 -4.134 -7.387 1.00 0.00 C ATOM 0 H LEU B 44 -5.821 -6.756 -8.994 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.422 -5.365 -11.112 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.915 -3.407 -10.003 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.352 -4.409 -10.047 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.983 -3.187 -7.912 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.541 -5.100 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.418 -5.147 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.016 -6.212 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.343 -4.018 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.655 -5.069 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.587 -3.300 -7.757 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.919 -6.404 -8.440 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.601 -6.632 -7.892 1.00 0.00 C ATOM 1620 C LEU B 45 -0.826 -7.307 -9.000 1.00 0.00 C ATOM 1621 O LEU B 45 0.354 -7.056 -9.223 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.685 -7.557 -6.671 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.362 -8.310 -6.467 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.769 -7.310 -6.251 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.476 -9.249 -5.258 1.00 0.00 C ATOM 0 H LEU B 45 -3.670 -6.913 -7.975 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.130 -5.706 -7.563 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.917 -6.972 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.498 -8.270 -6.805 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.146 -8.905 -7.354 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.707 -7.847 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.853 -6.662 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.557 -6.706 -5.369 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.466 -9.780 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.699 -8.666 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.276 -9.969 -5.431 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.558 -8.142 -9.723 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.004 -8.843 -10.859 1.00 0.00 C ATOM 1639 C ALA B 46 -0.597 -7.792 -11.875 1.00 0.00 C ATOM 1640 O ALA B 46 0.502 -7.824 -12.422 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.049 -9.796 -11.462 1.00 0.00 C ATOM 0 H ALA B 46 -2.540 -8.347 -9.538 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.146 -9.445 -10.561 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.617 -10.316 -12.317 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.354 -10.524 -10.710 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.918 -9.224 -11.787 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.495 -6.822 -12.062 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.254 -5.704 -12.954 1.00 0.00 C ATOM 1649 C GLU B 47 -0.040 -4.922 -12.469 1.00 0.00 C ATOM 1650 O GLU B 47 0.704 -4.358 -13.264 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.464 -4.752 -12.970 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.710 -5.421 -13.542 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.449 -6.002 -14.934 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.952 -5.278 -15.783 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.753 -7.167 -15.129 1.00 0.00 O ATOM 0 H GLU B 47 -2.403 -6.796 -11.598 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.085 -6.096 -13.957 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.669 -4.410 -11.956 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.223 -3.869 -13.562 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.038 -6.215 -12.871 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.521 -4.695 -13.596 1.00 0.00 H new ATOM 1662 N ALA B 48 0.125 -4.880 -11.145 1.00 0.00 N ATOM 1663 CA ALA B 48 1.210 -4.156 -10.518 1.00 0.00 C ATOM 1664 C ALA B 48 2.533 -4.844 -10.726 1.00 0.00 C ATOM 1665 O ALA B 48 3.502 -4.228 -11.133 1.00 0.00 O ATOM 1666 CB ALA B 48 0.943 -4.125 -9.026 1.00 0.00 C ATOM 0 H ALA B 48 -0.495 -5.350 -10.486 1.00 0.00 H new ATOM 0 HA ALA B 48 1.260 -3.160 -10.957 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.746 -3.585 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.006 -3.624 -8.837 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.897 -5.145 -8.643 1.00 0.00 H new ATOM 1672 N LYS B 49 2.549 -6.135 -10.461 1.00 0.00 N ATOM 1673 CA LYS B 49 3.748 -6.919 -10.636 1.00 0.00 C ATOM 1674 C LYS B 49 4.119 -6.879 -12.113 1.00 0.00 C ATOM 1675 O LYS B 49 5.294 -6.811 -12.472 1.00 0.00 O ATOM 1676 CB LYS B 49 3.497 -8.331 -10.109 1.00 0.00 C ATOM 1677 CG LYS B 49 3.475 -8.326 -8.577 1.00 0.00 C ATOM 1678 CD LYS B 49 3.387 -9.771 -8.063 1.00 0.00 C ATOM 1679 CE LYS B 49 2.023 -10.381 -8.427 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.472 -11.113 -7.253 1.00 0.00 N ATOM 0 H LYS B 49 1.743 -6.661 -10.123 1.00 0.00 H new ATOM 0 HA LYS B 49 4.591 -6.521 -10.071 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.549 -8.707 -10.493 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.276 -9.005 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.374 -7.845 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.624 -7.748 -8.216 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.189 -10.369 -8.497 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.525 -9.789 -6.982 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.333 -9.595 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.131 -11.060 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.441 -10.983 -7.216 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.690 -12.126 -7.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.900 -10.742 -6.381 1.00 0.00 H new ATOM 1694 N LYS B 50 3.081 -6.840 -12.952 1.00 0.00 N ATOM 1695 CA LYS B 50 3.251 -6.714 -14.394 1.00 0.00 C ATOM 1696 C LYS B 50 3.729 -5.316 -14.750 1.00 0.00 C ATOM 1697 O LYS B 50 4.544 -5.149 -15.646 1.00 0.00 O ATOM 1698 CB LYS B 50 1.941 -6.989 -15.119 1.00 0.00 C ATOM 1699 CG LYS B 50 1.677 -8.504 -15.175 1.00 0.00 C ATOM 1700 CD LYS B 50 0.536 -8.805 -16.156 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.791 -8.259 -15.616 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.920 -8.870 -16.371 1.00 0.00 N ATOM 0 H LYS B 50 2.108 -6.895 -12.650 1.00 0.00 H new ATOM 0 HA LYS B 50 3.995 -7.447 -14.707 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.120 -6.487 -14.606 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.983 -6.581 -16.129 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.581 -9.027 -15.485 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.420 -8.873 -14.182 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.754 -8.357 -17.125 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.457 -9.881 -16.313 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.885 -8.485 -14.554 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.818 -7.174 -15.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.812 -8.415 -16.090 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.769 -8.735 -17.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.968 -9.887 -16.160 1.00 0.00 H new ATOM 1716 N LEU B 51 3.210 -4.310 -14.044 1.00 0.00 N ATOM 1717 CA LEU B 51 3.608 -2.928 -14.303 1.00 0.00 C ATOM 1718 C LEU B 51 5.037 -2.740 -13.884 1.00 0.00 C ATOM 1719 O LEU B 51 5.836 -2.121 -14.585 1.00 0.00 O ATOM 1720 CB LEU B 51 2.711 -1.948 -13.541 1.00 0.00 C ATOM 1721 CG LEU B 51 1.816 -1.202 -14.527 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.678 -0.238 -15.356 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.088 -2.209 -15.442 1.00 0.00 C ATOM 0 H LEU B 51 2.523 -4.424 -13.299 1.00 0.00 H new ATOM 0 HA LEU B 51 3.503 -2.726 -15.369 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.101 -2.486 -12.816 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.322 -1.240 -12.981 1.00 0.00 H new ATOM 0 HG LEU B 51 1.063 -0.630 -13.985 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.046 0.299 -16.063 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.167 0.475 -14.692 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.434 -0.803 -15.902 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.451 -1.669 -16.143 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.822 -2.794 -15.996 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.476 -2.876 -14.835 1.00 0.00 H new ATOM 1735 N ASN B 52 5.355 -3.334 -12.754 1.00 0.00 N ATOM 1736 CA ASN B 52 6.712 -3.298 -12.250 1.00 0.00 C ATOM 1737 C ASN B 52 7.578 -3.992 -13.274 1.00 0.00 C ATOM 1738 O ASN B 52 8.683 -3.550 -13.592 1.00 0.00 O ATOM 1739 CB ASN B 52 6.790 -4.012 -10.907 1.00 0.00 C ATOM 1740 CG ASN B 52 8.239 -4.131 -10.452 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.716 -3.334 -9.648 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.969 -5.085 -10.936 1.00 0.00 N ATOM 0 H ASN B 52 4.695 -3.846 -12.168 1.00 0.00 H new ATOM 0 HA ASN B 52 7.048 -2.273 -12.095 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.212 -3.464 -10.163 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.345 -5.004 -10.989 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.944 -5.177 -10.650 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.569 -5.745 -11.603 1.00 0.00 H new ATOM 1749 N ASP B 53 7.013 -5.063 -13.820 1.00 0.00 N ATOM 1750 CA ASP B 53 7.680 -5.824 -14.867 1.00 0.00 C ATOM 1751 C ASP B 53 7.784 -4.956 -16.124 1.00 0.00 C ATOM 1752 O ASP B 53 8.758 -5.029 -16.874 1.00 0.00 O ATOM 1753 CB ASP B 53 6.899 -7.107 -15.181 1.00 0.00 C ATOM 1754 CG ASP B 53 7.725 -8.024 -16.081 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.550 -8.754 -15.556 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.523 -7.979 -17.284 1.00 0.00 O ATOM 0 H ASP B 53 6.096 -5.423 -13.555 1.00 0.00 H new ATOM 0 HA ASP B 53 8.677 -6.105 -14.527 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.649 -7.624 -14.255 1.00 0.00 H new ATOM 0 HB3 ASP B 53 5.958 -6.857 -15.671 1.00 0.00 H new ATOM 1761 N ALA B 54 6.751 -4.140 -16.334 1.00 0.00 N ATOM 1762 CA ALA B 54 6.681 -3.246 -17.482 1.00 0.00 C ATOM 1763 C ALA B 54 7.744 -2.152 -17.388 1.00 0.00 C ATOM 1764 O ALA B 54 8.346 -1.773 -18.395 1.00 0.00 O ATOM 1765 CB ALA B 54 5.290 -2.611 -17.539 1.00 0.00 C ATOM 0 H ALA B 54 5.943 -4.083 -15.713 1.00 0.00 H new ATOM 0 HA ALA B 54 6.866 -3.823 -18.388 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.231 -1.940 -18.396 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.537 -3.393 -17.637 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.110 -2.047 -16.624 1.00 0.00 H new ATOM 1771 N GLN B 55 7.961 -1.651 -16.170 1.00 0.00 N ATOM 1772 CA GLN B 55 8.945 -0.596 -15.934 1.00 0.00 C ATOM 1773 C GLN B 55 10.308 -1.171 -15.557 1.00 0.00 C ATOM 1774 O GLN B 55 11.269 -0.423 -15.361 1.00 0.00 O ATOM 1775 CB GLN B 55 8.448 0.289 -14.811 1.00 0.00 C ATOM 1776 CG GLN B 55 7.170 1.010 -15.233 1.00 0.00 C ATOM 1777 CD GLN B 55 6.317 1.274 -14.006 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.021 2.423 -13.685 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.917 0.262 -13.289 1.00 0.00 N ATOM 0 H GLN B 55 7.468 -1.960 -15.332 1.00 0.00 H new ATOM 0 HA GLN B 55 9.066 -0.025 -16.854 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.258 -0.312 -13.922 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.214 1.017 -14.546 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.415 1.949 -15.729 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.617 0.405 -15.951 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.168 -0.688 -13.563 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.353 0.420 -12.454 1.00 0.00 H new ATOM 1788 N ALA B 56 10.385 -2.498 -15.445 1.00 0.00 N ATOM 1789 CA ALA B 56 11.641 -3.159 -15.073 1.00 0.00 C ATOM 1790 C ALA B 56 12.740 -2.892 -16.097 1.00 0.00 C ATOM 1791 O ALA B 56 12.477 -2.401 -17.197 1.00 0.00 O ATOM 1792 CB ALA B 56 11.436 -4.666 -14.918 1.00 0.00 C ATOM 0 H ALA B 56 9.602 -3.132 -15.604 1.00 0.00 H new ATOM 0 HA ALA B 56 11.954 -2.740 -14.117 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.380 -5.135 -14.642 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.696 -4.854 -14.140 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.085 -5.084 -15.861 1.00 0.00 H new ATOM 1798 N PRO B 57 13.968 -3.187 -15.733 1.00 0.00 N ATOM 1799 CA PRO B 57 15.155 -2.955 -16.598 1.00 0.00 C ATOM 1800 C PRO B 57 15.332 -4.043 -17.658 1.00 0.00 C ATOM 1801 O PRO B 57 16.438 -4.533 -17.901 1.00 0.00 O ATOM 1802 CB PRO B 57 16.328 -2.924 -15.601 1.00 0.00 C ATOM 1803 CG PRO B 57 15.743 -3.158 -14.245 1.00 0.00 C ATOM 1804 CD PRO B 57 14.379 -3.776 -14.457 1.00 0.00 C ATOM 0 HA PRO B 57 15.069 -2.037 -17.179 1.00 0.00 H new ATOM 0 HB2 PRO B 57 17.063 -3.692 -15.844 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.844 -1.965 -15.640 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.380 -3.820 -13.658 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.661 -2.222 -13.693 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.428 -4.864 -14.508 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.689 -3.525 -13.652 1.00 0.00 H new ATOM 1812 N LYS B 58 14.221 -4.397 -18.281 1.00 0.00 N ATOM 1813 CA LYS B 58 14.205 -5.419 -19.332 1.00 0.00 C ATOM 1814 C LYS B 58 15.231 -5.103 -20.425 1.00 0.00 C ATOM 1815 O LYS B 58 15.962 -6.004 -20.805 1.00 0.00 O ATOM 1816 CB LYS B 58 12.806 -5.502 -19.947 1.00 0.00 C ATOM 1817 CG LYS B 58 12.015 -6.649 -19.305 1.00 0.00 C ATOM 1818 CD LYS B 58 11.671 -6.290 -17.853 1.00 0.00 C ATOM 1819 CE LYS B 58 10.708 -7.331 -17.278 1.00 0.00 C ATOM 1820 NZ LYS B 58 11.423 -8.622 -17.074 1.00 0.00 N ATOM 1821 OXT LYS B 58 15.271 -3.964 -20.866 1.00 0.00 O ATOM 0 H LYS B 58 13.307 -3.992 -18.080 1.00 0.00 H new ATOM 0 HA LYS B 58 14.468 -6.377 -18.883 1.00 0.00 H new ATOM 0 HB2 LYS B 58 12.279 -4.559 -19.800 1.00 0.00 H new ATOM 0 HB3 LYS B 58 12.882 -5.660 -21.023 1.00 0.00 H new ATOM 0 HG2 LYS B 58 11.102 -6.835 -19.870 1.00 0.00 H new ATOM 0 HG3 LYS B 58 12.600 -7.568 -19.334 1.00 0.00 H new ATOM 0 HD2 LYS B 58 12.580 -6.251 -17.253 1.00 0.00 H new ATOM 0 HD3 LYS B 58 11.218 -5.299 -17.811 1.00 0.00 H new ATOM 0 HE2 LYS B 58 10.299 -6.978 -16.331 1.00 0.00 H new ATOM 0 HE3 LYS B 58 9.866 -7.474 -17.955 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 10.794 -9.294 -16.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 11.704 -9.013 -17.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 12.271 -8.461 -16.493 1.00 0.00 H new TER 1835 LYS B 58