USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 SER OG : rot 180:sc= -0.129 USER MOD Set 1.2: A 127 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 83 ASN : amide:sc= -1.54 K(o=-0.34,f=-4.2!) USER MOD Set 2.2: A 103 THR OG1 : rot 81:sc= 1.2 USER MOD Set 3.1: A 20 MET CE :methyl 144:sc= -0.0164 (180deg=-0.258) USER MOD Set 3.2: A 53 LYS NZ :NH3+ 180:sc= -0.0313 (180deg=-0.0312) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0172 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 10:sc= 0.462 USER MOD Single : A 10 ASN : amide:sc= 0.624 K(o=0.62,f=-3.1!) USER MOD Single : A 14 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0765 K(o=-0.077,f=-1.8) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 22 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.21) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00135 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 50 ASN : amide:sc= 0.00763 K(o=0.0076,f=-2.1!) USER MOD Single : A 59 LYS NZ :NH3+ -119:sc= -1.31! (180deg=-3.03!) USER MOD Single : A 62 GLN : amide:sc= -0.0102 K(o=-0.01,f=-2.3!) USER MOD Single : A 65 SER OG : rot -120:sc= -1.95 USER MOD Single : A 71 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.49) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc=-0.000956 X(o=-0.00096,f=0) USER MOD Single : A 78 GLN : amide:sc= 0.602 K(o=0.6,f=-5.7!) USER MOD Single : A 84 HIS : no HD1:sc= -1.6 K(o=-1.6,f=0.35) USER MOD Single : A 85 THR OG1 : rot 6:sc= 1.15 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.0943 K(o=-0.094,f=-7.7!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -3.93! K(o=-3.9!,f=-2.5) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 95 GLN : amide:sc= -0.725 X(o=-0.72,f=-1.2) USER MOD Single : A 101 GLN : amide:sc= -0.0975 K(o=-0.098,f=-1.8!) USER MOD Single : A 102 GLN : amide:sc= -2.14! K(o=-2.1!,f=-0.51) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.00599 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.12) USER MOD Single : A 118 THR OG1 : rot 180:sc=0.000339 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.995 -8.449 -8.901 1.00 0.00 N ATOM 2 CA GLY A 1 24.633 -7.989 -9.096 1.00 0.00 C ATOM 3 C GLY A 1 24.267 -7.862 -10.561 1.00 0.00 C ATOM 4 O GLY A 1 24.746 -8.629 -11.396 1.00 0.00 O ATOM 0 H1 GLY A 1 26.013 -9.176 -8.157 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.355 -8.853 -9.789 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.595 -7.648 -8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.946 -8.683 -8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.506 -7.023 -8.608 1.00 0.00 H new ATOM 8 N SER A 2 23.415 -6.891 -10.875 1.00 0.00 N ATOM 9 CA SER A 2 22.981 -6.669 -12.249 1.00 0.00 C ATOM 10 C SER A 2 22.801 -5.180 -12.528 1.00 0.00 C ATOM 11 O SER A 2 22.710 -4.371 -11.605 1.00 0.00 O ATOM 12 CB SER A 2 21.671 -7.412 -12.519 1.00 0.00 C ATOM 13 OG SER A 2 20.591 -6.807 -11.831 1.00 0.00 O ATOM 0 H SER A 2 23.012 -6.245 -10.196 1.00 0.00 H new ATOM 0 HA SER A 2 23.753 -7.055 -12.915 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.467 -7.418 -13.590 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.768 -8.452 -12.207 1.00 0.00 H new ATOM 0 HG SER A 2 19.765 -7.299 -12.021 1.00 0.00 H new ATOM 19 N SER A 3 22.751 -4.826 -13.809 1.00 0.00 N ATOM 20 CA SER A 3 22.586 -3.435 -14.211 1.00 0.00 C ATOM 21 C SER A 3 21.109 -3.085 -14.364 1.00 0.00 C ATOM 22 O SER A 3 20.715 -2.409 -15.313 1.00 0.00 O ATOM 23 CB SER A 3 23.323 -3.171 -15.526 1.00 0.00 C ATOM 24 OG SER A 3 23.743 -1.820 -15.613 1.00 0.00 O ATOM 0 H SER A 3 22.822 -5.484 -14.585 1.00 0.00 H new ATOM 0 HA SER A 3 23.012 -2.804 -13.431 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.188 -3.830 -15.600 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.670 -3.407 -16.366 1.00 0.00 H new ATOM 0 HG SER A 3 24.213 -1.677 -16.461 1.00 0.00 H new ATOM 30 N GLY A 4 20.296 -3.551 -13.421 1.00 0.00 N ATOM 31 CA GLY A 4 18.872 -3.278 -13.468 1.00 0.00 C ATOM 32 C GLY A 4 18.158 -4.104 -14.520 1.00 0.00 C ATOM 33 O GLY A 4 18.344 -3.891 -15.718 1.00 0.00 O ATOM 0 H GLY A 4 20.598 -4.113 -12.625 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.434 -3.482 -12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.715 -2.219 -13.673 1.00 0.00 H new ATOM 37 N SER A 5 17.339 -5.050 -14.072 1.00 0.00 N ATOM 38 CA SER A 5 16.599 -5.915 -14.983 1.00 0.00 C ATOM 39 C SER A 5 15.384 -5.189 -15.554 1.00 0.00 C ATOM 40 O SER A 5 14.935 -4.182 -15.007 1.00 0.00 O ATOM 41 CB SER A 5 16.154 -7.189 -14.263 1.00 0.00 C ATOM 42 OG SER A 5 17.198 -8.147 -14.229 1.00 0.00 O ATOM 0 H SER A 5 17.171 -5.237 -13.083 1.00 0.00 H new ATOM 0 HA SER A 5 17.260 -6.184 -15.806 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.845 -6.947 -13.246 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.285 -7.611 -14.768 1.00 0.00 H new ATOM 0 HG SER A 5 16.889 -8.951 -13.762 1.00 0.00 H new ATOM 48 N SER A 6 14.857 -5.709 -16.658 1.00 0.00 N ATOM 49 CA SER A 6 13.696 -5.110 -17.306 1.00 0.00 C ATOM 50 C SER A 6 12.888 -6.165 -18.056 1.00 0.00 C ATOM 51 O SER A 6 13.394 -6.819 -18.966 1.00 0.00 O ATOM 52 CB SER A 6 14.137 -4.008 -18.271 1.00 0.00 C ATOM 53 OG SER A 6 14.576 -2.859 -17.566 1.00 0.00 O ATOM 0 H SER A 6 15.215 -6.544 -17.122 1.00 0.00 H new ATOM 0 HA SER A 6 13.063 -4.675 -16.533 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.941 -4.378 -18.907 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.308 -3.742 -18.927 1.00 0.00 H new ATOM 0 HG SER A 6 14.653 -3.070 -16.612 1.00 0.00 H new ATOM 59 N GLY A 7 11.627 -6.323 -17.666 1.00 0.00 N ATOM 60 CA GLY A 7 10.768 -7.299 -18.311 1.00 0.00 C ATOM 61 C GLY A 7 10.272 -8.360 -17.349 1.00 0.00 C ATOM 62 O GLY A 7 11.066 -9.035 -16.693 1.00 0.00 O ATOM 0 H GLY A 7 11.185 -5.793 -16.915 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.914 -6.789 -18.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.313 -7.777 -19.125 1.00 0.00 H new ATOM 66 N LEU A 8 8.954 -8.507 -17.262 1.00 0.00 N ATOM 67 CA LEU A 8 8.352 -9.493 -16.371 1.00 0.00 C ATOM 68 C LEU A 8 8.934 -10.881 -16.621 1.00 0.00 C ATOM 69 O LEU A 8 9.739 -11.073 -17.531 1.00 0.00 O ATOM 70 CB LEU A 8 6.834 -9.522 -16.562 1.00 0.00 C ATOM 71 CG LEU A 8 6.051 -8.397 -15.884 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.581 -8.463 -16.270 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.211 -8.471 -14.373 1.00 0.00 C ATOM 0 H LEU A 8 8.283 -7.956 -17.797 1.00 0.00 H new ATOM 0 HA LEU A 8 8.578 -9.204 -15.344 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.622 -9.493 -17.631 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.459 -10.475 -16.189 1.00 0.00 H new ATOM 0 HG LEU A 8 6.453 -7.443 -16.225 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.039 -7.655 -15.778 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.484 -8.360 -17.351 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.166 -9.421 -15.958 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.647 -7.663 -13.907 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.836 -9.429 -14.014 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.265 -8.374 -14.114 1.00 0.00 H new ATOM 85 N GLY A 9 8.518 -11.847 -15.807 1.00 0.00 N ATOM 86 CA GLY A 9 9.007 -13.205 -15.958 1.00 0.00 C ATOM 87 C GLY A 9 7.980 -14.240 -15.542 1.00 0.00 C ATOM 88 O GLY A 9 6.860 -14.251 -16.049 1.00 0.00 O ATOM 0 H GLY A 9 7.852 -11.713 -15.046 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.288 -13.373 -16.998 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.909 -13.332 -15.360 1.00 0.00 H new ATOM 92 N ASN A 10 8.365 -15.113 -14.616 1.00 0.00 N ATOM 93 CA ASN A 10 7.470 -16.159 -14.134 1.00 0.00 C ATOM 94 C ASN A 10 6.128 -15.572 -13.707 1.00 0.00 C ATOM 95 O ASN A 10 5.082 -15.938 -14.241 1.00 0.00 O ATOM 96 CB ASN A 10 8.109 -16.905 -12.961 1.00 0.00 C ATOM 97 CG ASN A 10 9.587 -17.166 -13.179 1.00 0.00 C ATOM 98 OD1 ASN A 10 10.399 -16.241 -13.177 1.00 0.00 O ATOM 99 ND2 ASN A 10 9.943 -18.432 -13.367 1.00 0.00 N ATOM 0 H ASN A 10 9.289 -15.117 -14.185 1.00 0.00 H new ATOM 0 HA ASN A 10 7.297 -16.860 -14.951 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.976 -16.324 -12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.593 -17.854 -12.813 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.924 -18.669 -13.518 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.236 -19.167 -13.361 1.00 0.00 H new ATOM 106 N GLU A 11 6.168 -14.659 -12.741 1.00 0.00 N ATOM 107 CA GLU A 11 4.955 -14.022 -12.242 1.00 0.00 C ATOM 108 C GLU A 11 4.799 -12.620 -12.823 1.00 0.00 C ATOM 109 O GLU A 11 5.767 -11.866 -12.922 1.00 0.00 O ATOM 110 CB GLU A 11 4.979 -13.953 -10.714 1.00 0.00 C ATOM 111 CG GLU A 11 6.002 -12.973 -10.165 1.00 0.00 C ATOM 112 CD GLU A 11 7.424 -13.485 -10.284 1.00 0.00 C ATOM 113 OE1 GLU A 11 7.606 -14.717 -10.371 1.00 0.00 O ATOM 114 OE2 GLU A 11 8.355 -12.653 -10.290 1.00 0.00 O ATOM 0 H GLU A 11 7.027 -14.344 -12.289 1.00 0.00 H new ATOM 0 HA GLU A 11 4.103 -14.625 -12.557 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.989 -13.670 -10.356 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.190 -14.946 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.915 -12.026 -10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.779 -12.770 -9.117 1.00 0.00 H new ATOM 121 N ASP A 12 3.574 -12.277 -13.206 1.00 0.00 N ATOM 122 CA ASP A 12 3.289 -10.966 -13.777 1.00 0.00 C ATOM 123 C ASP A 12 2.870 -9.980 -12.691 1.00 0.00 C ATOM 124 O ASP A 12 2.348 -10.374 -11.648 1.00 0.00 O ATOM 125 CB ASP A 12 2.191 -11.074 -14.836 1.00 0.00 C ATOM 126 CG ASP A 12 2.272 -12.367 -15.623 1.00 0.00 C ATOM 127 OD1 ASP A 12 1.809 -13.406 -15.107 1.00 0.00 O ATOM 128 OD2 ASP A 12 2.796 -12.339 -16.756 1.00 0.00 O ATOM 0 H ASP A 12 2.762 -12.889 -13.131 1.00 0.00 H new ATOM 0 HA ASP A 12 4.200 -10.596 -14.247 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.216 -11.006 -14.353 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.266 -10.230 -15.521 1.00 0.00 H new ATOM 133 N PHE A 13 3.104 -8.696 -12.942 1.00 0.00 N ATOM 134 CA PHE A 13 2.753 -7.653 -11.985 1.00 0.00 C ATOM 135 C PHE A 13 1.432 -7.974 -11.291 1.00 0.00 C ATOM 136 O PHE A 13 1.278 -7.748 -10.092 1.00 0.00 O ATOM 137 CB PHE A 13 2.657 -6.298 -12.687 1.00 0.00 C ATOM 138 CG PHE A 13 2.012 -5.232 -11.848 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.255 -5.162 -10.486 1.00 0.00 C ATOM 140 CD2 PHE A 13 1.162 -4.300 -12.422 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.664 -4.182 -9.711 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.568 -3.317 -11.652 1.00 0.00 C ATOM 143 CZ PHE A 13 0.818 -3.259 -10.295 1.00 0.00 C ATOM 0 H PHE A 13 3.535 -8.353 -13.800 1.00 0.00 H new ATOM 0 HA PHE A 13 3.538 -7.608 -11.230 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.658 -5.972 -12.968 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.089 -6.416 -13.610 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.914 -5.882 -10.024 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.961 -4.342 -13.482 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.863 -4.138 -8.650 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.091 -2.595 -12.111 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.353 -2.494 -9.691 1.00 0.00 H new ATOM 153 N ASN A 14 0.482 -8.502 -12.056 1.00 0.00 N ATOM 154 CA ASN A 14 -0.827 -8.853 -11.517 1.00 0.00 C ATOM 155 C ASN A 14 -0.725 -10.054 -10.582 1.00 0.00 C ATOM 156 O ASN A 14 -1.363 -10.091 -9.530 1.00 0.00 O ATOM 157 CB ASN A 14 -1.805 -9.158 -12.653 1.00 0.00 C ATOM 158 CG ASN A 14 -1.623 -8.229 -13.838 1.00 0.00 C ATOM 159 OD1 ASN A 14 -1.581 -8.670 -14.986 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.513 -6.934 -13.563 1.00 0.00 N ATOM 0 H ASN A 14 0.594 -8.696 -13.051 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.198 -8.001 -10.947 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.669 -10.189 -12.979 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.826 -9.073 -12.282 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.388 -6.261 -14.319 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.553 -6.613 -12.596 1.00 0.00 H new ATOM 167 N SER A 15 0.082 -11.035 -10.973 1.00 0.00 N ATOM 168 CA SER A 15 0.265 -12.240 -10.172 1.00 0.00 C ATOM 169 C SER A 15 0.934 -11.911 -8.841 1.00 0.00 C ATOM 170 O SER A 15 0.436 -12.276 -7.776 1.00 0.00 O ATOM 171 CB SER A 15 1.105 -13.264 -10.938 1.00 0.00 C ATOM 172 OG SER A 15 0.870 -14.577 -10.458 1.00 0.00 O ATOM 0 H SER A 15 0.620 -11.019 -11.840 1.00 0.00 H new ATOM 0 HA SER A 15 -0.718 -12.665 -9.970 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.866 -13.213 -12.000 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.163 -13.020 -10.837 1.00 0.00 H new ATOM 0 HG SER A 15 1.417 -15.213 -10.964 1.00 0.00 H new ATOM 178 N VAL A 16 2.065 -11.217 -8.910 1.00 0.00 N ATOM 179 CA VAL A 16 2.803 -10.836 -7.711 1.00 0.00 C ATOM 180 C VAL A 16 1.885 -10.182 -6.685 1.00 0.00 C ATOM 181 O VAL A 16 1.906 -10.534 -5.505 1.00 0.00 O ATOM 182 CB VAL A 16 3.954 -9.869 -8.044 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.458 -8.730 -8.923 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.585 -9.333 -6.768 1.00 0.00 C ATOM 0 H VAL A 16 2.491 -10.907 -9.783 1.00 0.00 H new ATOM 0 HA VAL A 16 3.218 -11.752 -7.291 1.00 0.00 H new ATOM 0 HB VAL A 16 4.717 -10.417 -8.597 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.285 -8.057 -9.148 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.057 -9.135 -9.852 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.675 -8.181 -8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.397 -8.651 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.833 -8.801 -6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.978 -10.162 -6.180 1.00 0.00 H new ATOM 194 N ILE A 17 1.080 -9.229 -7.143 1.00 0.00 N ATOM 195 CA ILE A 17 0.152 -8.527 -6.265 1.00 0.00 C ATOM 196 C ILE A 17 -0.846 -9.492 -5.635 1.00 0.00 C ATOM 197 O ILE A 17 -1.057 -9.477 -4.422 1.00 0.00 O ATOM 198 CB ILE A 17 -0.619 -7.430 -7.022 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.337 -6.326 -7.479 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.720 -6.854 -6.144 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.077 -5.659 -6.341 1.00 0.00 C ATOM 0 H ILE A 17 1.052 -8.926 -8.116 1.00 0.00 H new ATOM 0 HA ILE A 17 0.750 -8.063 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.079 -7.874 -7.904 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.062 -6.749 -8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.227 -5.571 -8.027 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.256 -6.080 -6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.414 -7.646 -5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.280 -6.422 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.736 -4.887 -6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.360 -5.206 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.669 -6.402 -5.807 1.00 0.00 H new ATOM 213 N GLN A 18 -1.456 -10.330 -6.466 1.00 0.00 N ATOM 214 CA GLN A 18 -2.432 -11.304 -5.990 1.00 0.00 C ATOM 215 C GLN A 18 -1.804 -12.251 -4.973 1.00 0.00 C ATOM 216 O GLN A 18 -2.449 -12.654 -4.006 1.00 0.00 O ATOM 217 CB GLN A 18 -3.002 -12.102 -7.163 1.00 0.00 C ATOM 218 CG GLN A 18 -3.962 -11.304 -8.032 1.00 0.00 C ATOM 219 CD GLN A 18 -5.296 -11.061 -7.355 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.519 -11.490 -6.223 1.00 0.00 O ATOM 221 NE2 GLN A 18 -6.193 -10.367 -8.046 1.00 0.00 N ATOM 0 H GLN A 18 -1.292 -10.355 -7.472 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.241 -10.761 -5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.179 -12.462 -7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.519 -12.981 -6.777 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.507 -10.346 -8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.126 -11.836 -8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.967 -10.030 -8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.108 -10.171 -7.641 1.00 0.00 H new ATOM 230 N GLN A 19 -0.542 -12.602 -5.199 1.00 0.00 N ATOM 231 CA GLN A 19 0.173 -13.503 -4.302 1.00 0.00 C ATOM 232 C GLN A 19 0.451 -12.829 -2.962 1.00 0.00 C ATOM 233 O GLN A 19 0.432 -13.477 -1.916 1.00 0.00 O ATOM 234 CB GLN A 19 1.487 -13.956 -4.941 1.00 0.00 C ATOM 235 CG GLN A 19 1.304 -14.992 -6.038 1.00 0.00 C ATOM 236 CD GLN A 19 1.404 -16.413 -5.522 1.00 0.00 C ATOM 237 OE1 GLN A 19 0.527 -16.887 -4.799 1.00 0.00 O ATOM 238 NE2 GLN A 19 2.478 -17.103 -5.891 1.00 0.00 N ATOM 0 H GLN A 19 0.006 -12.276 -5.995 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.457 -14.375 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.999 -13.087 -5.355 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.134 -14.369 -4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.332 -14.848 -6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.058 -14.836 -6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.180 -16.671 -6.491 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.600 -18.065 -5.574 1.00 0.00 H new ATOM 247 N MET A 20 0.709 -11.526 -3.002 1.00 0.00 N ATOM 248 CA MET A 20 0.990 -10.766 -1.790 1.00 0.00 C ATOM 249 C MET A 20 -0.297 -10.457 -1.031 1.00 0.00 C ATOM 250 O MET A 20 -0.295 -10.353 0.195 1.00 0.00 O ATOM 251 CB MET A 20 1.716 -9.464 -2.136 1.00 0.00 C ATOM 252 CG MET A 20 2.993 -9.675 -2.934 1.00 0.00 C ATOM 253 SD MET A 20 3.369 -8.287 -4.022 1.00 0.00 S ATOM 254 CE MET A 20 3.963 -7.080 -2.839 1.00 0.00 C ATOM 0 H MET A 20 0.729 -10.975 -3.860 1.00 0.00 H new ATOM 0 HA MET A 20 1.631 -11.373 -1.151 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.043 -8.822 -2.705 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.957 -8.935 -1.214 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.825 -9.829 -2.247 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.899 -10.583 -3.529 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.770 -6.499 -3.286 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.148 -6.413 -2.559 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.334 -7.592 -1.951 1.00 0.00 H new ATOM 264 N ALA A 21 -1.393 -10.312 -1.769 1.00 0.00 N ATOM 265 CA ALA A 21 -2.687 -10.017 -1.164 1.00 0.00 C ATOM 266 C ALA A 21 -3.287 -11.261 -0.518 1.00 0.00 C ATOM 267 O ALA A 21 -3.993 -11.170 0.486 1.00 0.00 O ATOM 268 CB ALA A 21 -3.639 -9.449 -2.207 1.00 0.00 C ATOM 0 H ALA A 21 -1.411 -10.394 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.535 -9.272 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.601 -9.233 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.221 -8.531 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.778 -10.176 -3.007 1.00 0.00 H new ATOM 274 N GLN A 22 -3.002 -12.421 -1.101 1.00 0.00 N ATOM 275 CA GLN A 22 -3.516 -13.683 -0.582 1.00 0.00 C ATOM 276 C GLN A 22 -5.039 -13.723 -0.658 1.00 0.00 C ATOM 277 O GLN A 22 -5.707 -14.151 0.283 1.00 0.00 O ATOM 278 CB GLN A 22 -3.061 -13.887 0.864 1.00 0.00 C ATOM 279 CG GLN A 22 -1.564 -13.710 1.061 1.00 0.00 C ATOM 280 CD GLN A 22 -0.785 -14.984 0.799 1.00 0.00 C ATOM 281 OE1 GLN A 22 -0.255 -15.602 1.723 1.00 0.00 O ATOM 282 NE2 GLN A 22 -0.713 -15.385 -0.465 1.00 0.00 N ATOM 0 H GLN A 22 -2.418 -12.513 -1.932 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.118 -14.489 -1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.589 -13.182 1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.346 -14.888 1.188 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.204 -12.926 0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.373 -13.375 2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.167 -14.842 -1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.203 -16.236 -0.702 1.00 0.00 H new ATOM 291 N GLY A 23 -5.583 -13.273 -1.785 1.00 0.00 N ATOM 292 CA GLY A 23 -7.023 -13.266 -1.963 1.00 0.00 C ATOM 293 C GLY A 23 -7.668 -12.005 -1.421 1.00 0.00 C ATOM 294 O GLY A 23 -8.747 -11.613 -1.863 1.00 0.00 O ATOM 0 H GLY A 23 -5.052 -12.913 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.255 -13.362 -3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.452 -14.134 -1.462 1.00 0.00 H new ATOM 298 N ARG A 24 -7.006 -11.371 -0.459 1.00 0.00 N ATOM 299 CA ARG A 24 -7.522 -10.149 0.146 1.00 0.00 C ATOM 300 C ARG A 24 -7.990 -9.168 -0.924 1.00 0.00 C ATOM 301 O ARG A 24 -7.354 -9.024 -1.968 1.00 0.00 O ATOM 302 CB ARG A 24 -6.451 -9.495 1.020 1.00 0.00 C ATOM 303 CG ARG A 24 -6.252 -10.185 2.360 1.00 0.00 C ATOM 304 CD ARG A 24 -5.204 -9.474 3.202 1.00 0.00 C ATOM 305 NE ARG A 24 -3.858 -9.979 2.942 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.752 -9.301 3.223 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.830 -8.095 3.770 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.563 -9.827 2.957 1.00 0.00 N ATOM 0 H ARG A 24 -6.111 -11.683 -0.082 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.376 -10.415 0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.505 -9.492 0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.722 -8.454 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.198 -10.212 2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.949 -11.219 2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.236 -8.405 2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.441 -9.601 4.258 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.763 -10.903 2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.742 -7.686 3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.978 -7.576 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.498 -10.754 2.536 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.714 -9.305 3.174 1.00 0.00 H new ATOM 322 N GLN A 25 -9.106 -8.496 -0.657 1.00 0.00 N ATOM 323 CA GLN A 25 -9.659 -7.530 -1.599 1.00 0.00 C ATOM 324 C GLN A 25 -8.701 -6.361 -1.805 1.00 0.00 C ATOM 325 O GLN A 25 -8.480 -5.559 -0.897 1.00 0.00 O ATOM 326 CB GLN A 25 -11.010 -7.015 -1.099 1.00 0.00 C ATOM 327 CG GLN A 25 -11.526 -5.812 -1.872 1.00 0.00 C ATOM 328 CD GLN A 25 -12.932 -5.418 -1.466 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.414 -5.801 -0.400 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.600 -4.647 -2.317 1.00 0.00 N ATOM 0 H GLN A 25 -9.644 -8.603 0.203 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.801 -8.033 -2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.743 -7.819 -1.164 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.921 -6.749 -0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.856 -4.967 -1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.509 -6.036 -2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.162 -4.352 -3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.551 -4.350 -2.097 1.00 0.00 H new ATOM 339 N ILE A 26 -8.134 -6.272 -3.004 1.00 0.00 N ATOM 340 CA ILE A 26 -7.201 -5.201 -3.329 1.00 0.00 C ATOM 341 C ILE A 26 -7.940 -3.938 -3.759 1.00 0.00 C ATOM 342 O ILE A 26 -8.988 -4.010 -4.400 1.00 0.00 O ATOM 343 CB ILE A 26 -6.230 -5.620 -4.448 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.527 -6.929 -4.080 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.211 -4.520 -4.706 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.965 -7.669 -5.273 1.00 0.00 C ATOM 0 H ILE A 26 -8.305 -6.929 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.631 -4.995 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.801 -5.780 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.718 -6.714 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.232 -7.577 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.532 -4.832 -5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.728 -3.609 -5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.642 -4.330 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.481 -8.586 -4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.773 -7.916 -5.962 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.235 -7.039 -5.781 1.00 0.00 H new ATOM 358 N GLU A 27 -7.386 -2.784 -3.403 1.00 0.00 N ATOM 359 CA GLU A 27 -7.993 -1.505 -3.754 1.00 0.00 C ATOM 360 C GLU A 27 -6.938 -0.519 -4.247 1.00 0.00 C ATOM 361 O GLU A 27 -5.895 -0.342 -3.618 1.00 0.00 O ATOM 362 CB GLU A 27 -8.732 -0.919 -2.550 1.00 0.00 C ATOM 363 CG GLU A 27 -10.161 -1.417 -2.410 1.00 0.00 C ATOM 364 CD GLU A 27 -11.002 -1.127 -3.638 1.00 0.00 C ATOM 365 OE1 GLU A 27 -10.872 -0.019 -4.199 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.791 -2.009 -4.037 1.00 0.00 O ATOM 0 H GLU A 27 -6.518 -2.708 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.707 -1.679 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.181 -1.163 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.742 0.168 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.151 -2.491 -2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.621 -0.949 -1.540 1.00 0.00 H new ATOM 373 N TYR A 28 -7.217 0.120 -5.378 1.00 0.00 N ATOM 374 CA TYR A 28 -6.292 1.086 -5.958 1.00 0.00 C ATOM 375 C TYR A 28 -6.564 2.490 -5.424 1.00 0.00 C ATOM 376 O TYR A 28 -7.544 3.131 -5.805 1.00 0.00 O ATOM 377 CB TYR A 28 -6.404 1.079 -7.483 1.00 0.00 C ATOM 378 CG TYR A 28 -6.015 -0.241 -8.112 1.00 0.00 C ATOM 379 CD1 TYR A 28 -6.728 -1.401 -7.837 1.00 0.00 C ATOM 380 CD2 TYR A 28 -4.935 -0.326 -8.982 1.00 0.00 C ATOM 381 CE1 TYR A 28 -6.375 -2.608 -8.408 1.00 0.00 C ATOM 382 CE2 TYR A 28 -4.577 -1.529 -9.560 1.00 0.00 C ATOM 383 CZ TYR A 28 -5.299 -2.667 -9.269 1.00 0.00 C ATOM 384 OH TYR A 28 -4.946 -3.867 -9.842 1.00 0.00 O ATOM 0 H TYR A 28 -8.076 -0.014 -5.911 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.280 0.798 -5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.429 1.318 -7.765 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.770 1.867 -7.889 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.573 -1.358 -7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.366 0.563 -9.210 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.939 -3.501 -8.182 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.736 -1.578 -10.236 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.168 -3.736 -10.423 1.00 0.00 H new ATOM 394 N ILE A 29 -5.690 2.960 -4.542 1.00 0.00 N ATOM 395 CA ILE A 29 -5.834 4.287 -3.956 1.00 0.00 C ATOM 396 C ILE A 29 -5.053 5.327 -4.754 1.00 0.00 C ATOM 397 O ILE A 29 -3.834 5.438 -4.622 1.00 0.00 O ATOM 398 CB ILE A 29 -5.354 4.312 -2.493 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.855 3.074 -1.748 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.829 5.581 -1.802 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.357 3.041 -1.571 1.00 0.00 C ATOM 0 H ILE A 29 -4.874 2.442 -4.217 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.896 4.532 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.264 4.302 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.542 2.182 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.381 3.034 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.482 5.584 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.428 6.451 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.918 5.619 -1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.640 2.135 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.676 3.914 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.839 3.050 -2.549 1.00 0.00 H new ATOM 413 N ASP A 30 -5.764 6.087 -5.579 1.00 0.00 N ATOM 414 CA ASP A 30 -5.139 7.120 -6.396 1.00 0.00 C ATOM 415 C ASP A 30 -4.977 8.415 -5.605 1.00 0.00 C ATOM 416 O ASP A 30 -5.942 9.152 -5.397 1.00 0.00 O ATOM 417 CB ASP A 30 -5.970 7.378 -7.654 1.00 0.00 C ATOM 418 CG ASP A 30 -5.240 8.243 -8.663 1.00 0.00 C ATOM 419 OD1 ASP A 30 -4.187 7.803 -9.169 1.00 0.00 O ATOM 420 OD2 ASP A 30 -5.721 9.360 -8.946 1.00 0.00 O ATOM 0 H ASP A 30 -6.774 6.007 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.150 6.767 -6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.229 6.426 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.906 7.862 -7.375 1.00 0.00 H new ATOM 425 N ILE A 31 -3.753 8.684 -5.164 1.00 0.00 N ATOM 426 CA ILE A 31 -3.465 9.888 -4.396 1.00 0.00 C ATOM 427 C ILE A 31 -2.860 10.973 -5.280 1.00 0.00 C ATOM 428 O ILE A 31 -1.990 10.699 -6.107 1.00 0.00 O ATOM 429 CB ILE A 31 -2.503 9.596 -3.230 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.109 8.553 -2.289 1.00 0.00 C ATOM 431 CG2 ILE A 31 -2.183 10.877 -2.474 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.120 7.991 -1.292 1.00 0.00 C ATOM 0 H ILE A 31 -2.944 8.084 -5.326 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.415 10.239 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.574 9.195 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.941 9.003 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.519 7.735 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.502 10.654 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.714 11.591 -3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.103 11.304 -2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.619 7.258 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.299 7.511 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.728 8.799 -0.674 1.00 0.00 H new ATOM 444 N GLU A 32 -3.325 12.205 -5.099 1.00 0.00 N ATOM 445 CA GLU A 32 -2.828 13.331 -5.881 1.00 0.00 C ATOM 446 C GLU A 32 -2.013 14.282 -5.008 1.00 0.00 C ATOM 447 O GLU A 32 -2.570 15.077 -4.251 1.00 0.00 O ATOM 448 CB GLU A 32 -3.991 14.086 -6.527 1.00 0.00 C ATOM 449 CG GLU A 32 -4.421 13.510 -7.866 1.00 0.00 C ATOM 450 CD GLU A 32 -5.175 14.514 -8.717 1.00 0.00 C ATOM 451 OE1 GLU A 32 -6.396 14.670 -8.507 1.00 0.00 O ATOM 452 OE2 GLU A 32 -4.545 15.142 -9.593 1.00 0.00 O ATOM 0 H GLU A 32 -4.045 12.449 -4.418 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.180 12.938 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.842 14.076 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.705 15.129 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.541 13.167 -8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.051 12.637 -7.696 1.00 0.00 H new ATOM 459 N ARG A 33 -0.692 14.192 -5.119 1.00 0.00 N ATOM 460 CA ARG A 33 0.200 15.042 -4.339 1.00 0.00 C ATOM 461 C ARG A 33 -0.221 16.506 -4.437 1.00 0.00 C ATOM 462 O ARG A 33 -0.282 17.088 -5.520 1.00 0.00 O ATOM 463 CB ARG A 33 1.643 14.881 -4.821 1.00 0.00 C ATOM 464 CG ARG A 33 2.345 13.662 -4.246 1.00 0.00 C ATOM 465 CD ARG A 33 3.061 13.992 -2.946 1.00 0.00 C ATOM 466 NE ARG A 33 4.086 15.016 -3.131 1.00 0.00 N ATOM 467 CZ ARG A 33 5.133 15.162 -2.327 1.00 0.00 C ATOM 468 NH1 ARG A 33 5.294 14.353 -1.289 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.023 16.118 -2.561 1.00 0.00 N ATOM 0 H ARG A 33 -0.215 13.539 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 33 0.136 14.733 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.648 14.813 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.208 15.774 -4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.616 12.871 -4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.063 13.279 -4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.335 14.335 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.520 13.088 -2.545 1.00 0.00 H new ATOM 0 HE ARG A 33 3.993 15.654 -3.921 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.613 13.616 -1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.099 14.467 -0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.903 16.742 -3.359 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.827 16.229 -1.943 1.00 0.00 H new ATOM 483 N PRO A 34 -0.518 17.115 -3.280 1.00 0.00 N ATOM 484 CA PRO A 34 -0.938 18.518 -3.209 1.00 0.00 C ATOM 485 C PRO A 34 0.199 19.480 -3.537 1.00 0.00 C ATOM 486 O PRO A 34 0.039 20.389 -4.351 1.00 0.00 O ATOM 487 CB PRO A 34 -1.375 18.684 -1.751 1.00 0.00 C ATOM 488 CG PRO A 34 -0.614 17.642 -1.006 1.00 0.00 C ATOM 489 CD PRO A 34 -0.467 16.482 -1.951 1.00 0.00 C ATOM 0 HA PRO A 34 -1.721 18.746 -3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.145 19.683 -1.380 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.450 18.543 -1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.361 18.018 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.144 17.344 -0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.473 15.953 -1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.268 15.754 -1.822 1.00 0.00 H new ATOM 497 N SER A 35 1.346 19.274 -2.898 1.00 0.00 N ATOM 498 CA SER A 35 2.508 20.126 -3.119 1.00 0.00 C ATOM 499 C SER A 35 3.787 19.430 -2.663 1.00 0.00 C ATOM 500 O SER A 35 3.765 18.266 -2.260 1.00 0.00 O ATOM 501 CB SER A 35 2.343 21.453 -2.377 1.00 0.00 C ATOM 502 OG SER A 35 3.012 22.503 -3.054 1.00 0.00 O ATOM 0 H SER A 35 1.495 18.524 -2.223 1.00 0.00 H new ATOM 0 HA SER A 35 2.584 20.324 -4.188 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.284 21.692 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.738 21.359 -1.365 1.00 0.00 H new ATOM 0 HG SER A 35 2.890 23.341 -2.560 1.00 0.00 H new ATOM 508 N THR A 36 4.901 20.152 -2.728 1.00 0.00 N ATOM 509 CA THR A 36 6.190 19.605 -2.323 1.00 0.00 C ATOM 510 C THR A 36 6.151 19.117 -0.879 1.00 0.00 C ATOM 511 O THR A 36 7.049 18.405 -0.430 1.00 0.00 O ATOM 512 CB THR A 36 7.314 20.649 -2.470 1.00 0.00 C ATOM 513 OG1 THR A 36 7.113 21.719 -1.540 1.00 0.00 O ATOM 514 CG2 THR A 36 7.357 21.202 -3.886 1.00 0.00 C ATOM 0 H THR A 36 4.937 21.117 -3.057 1.00 0.00 H new ATOM 0 HA THR A 36 6.398 18.763 -2.983 1.00 0.00 H new ATOM 0 HB THR A 36 8.265 20.159 -2.260 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.832 22.377 -1.638 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.158 21.937 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.539 20.389 -4.589 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.404 21.677 -4.120 1.00 0.00 H new ATOM 522 N GLY A 37 5.104 19.503 -0.157 1.00 0.00 N ATOM 523 CA GLY A 37 4.968 19.095 1.229 1.00 0.00 C ATOM 524 C GLY A 37 5.177 17.605 1.417 1.00 0.00 C ATOM 525 O GLY A 37 6.302 17.149 1.614 1.00 0.00 O ATOM 0 H GLY A 37 4.347 20.091 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.690 19.640 1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.976 19.368 1.590 1.00 0.00 H new ATOM 529 N GLY A 38 4.088 16.844 1.359 1.00 0.00 N ATOM 530 CA GLY A 38 4.178 15.406 1.528 1.00 0.00 C ATOM 531 C GLY A 38 2.887 14.698 1.167 1.00 0.00 C ATOM 532 O GLY A 38 2.267 15.004 0.148 1.00 0.00 O ATOM 0 H GLY A 38 3.145 17.198 1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.986 15.020 0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.436 15.180 2.563 1.00 0.00 H new ATOM 536 N LEU A 39 2.482 13.747 2.002 1.00 0.00 N ATOM 537 CA LEU A 39 1.257 12.991 1.764 1.00 0.00 C ATOM 538 C LEU A 39 0.315 13.091 2.960 1.00 0.00 C ATOM 539 O LEU A 39 -0.888 12.864 2.836 1.00 0.00 O ATOM 540 CB LEU A 39 1.586 11.525 1.481 1.00 0.00 C ATOM 541 CG LEU A 39 2.937 11.256 0.817 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.201 9.761 0.730 1.00 0.00 C ATOM 543 CD2 LEU A 39 2.987 11.890 -0.566 1.00 0.00 C ATOM 0 H LEU A 39 2.984 13.481 2.849 1.00 0.00 H new ATOM 0 HA LEU A 39 0.758 13.419 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.551 10.977 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.803 11.114 0.844 1.00 0.00 H new ATOM 0 HG LEU A 39 3.718 11.707 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.167 9.589 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.209 9.334 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.417 9.287 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.955 11.689 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.197 11.469 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.844 12.967 -0.478 1.00 0.00 H new ATOM 555 N GLY A 40 0.871 13.436 4.118 1.00 0.00 N ATOM 556 CA GLY A 40 0.066 13.562 5.318 1.00 0.00 C ATOM 557 C GLY A 40 -0.198 12.226 5.983 1.00 0.00 C ATOM 558 O GLY A 40 -0.944 12.146 6.959 1.00 0.00 O ATOM 0 H GLY A 40 1.864 13.630 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.572 14.222 6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.884 14.033 5.066 1.00 0.00 H new ATOM 562 N PHE A 41 0.414 11.172 5.453 1.00 0.00 N ATOM 563 CA PHE A 41 0.240 9.831 5.999 1.00 0.00 C ATOM 564 C PHE A 41 1.585 9.127 6.151 1.00 0.00 C ATOM 565 O PHE A 41 2.393 9.102 5.223 1.00 0.00 O ATOM 566 CB PHE A 41 -0.682 9.007 5.099 1.00 0.00 C ATOM 567 CG PHE A 41 0.016 8.411 3.911 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.766 7.253 4.040 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.077 9.008 2.664 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.410 6.703 2.948 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.565 8.462 1.568 1.00 0.00 C ATOM 572 CZ PHE A 41 1.309 7.307 1.710 1.00 0.00 C ATOM 0 H PHE A 41 1.035 11.221 4.645 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.215 9.923 6.985 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.129 8.206 5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.498 9.641 4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.848 6.775 5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.658 9.911 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.992 5.801 3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.485 8.938 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.810 6.877 0.855 1.00 0.00 H new ATOM 582 N SER A 42 1.817 8.555 7.328 1.00 0.00 N ATOM 583 CA SER A 42 3.065 7.853 7.604 1.00 0.00 C ATOM 584 C SER A 42 2.920 6.359 7.331 1.00 0.00 C ATOM 585 O SER A 42 1.836 5.879 7.003 1.00 0.00 O ATOM 586 CB SER A 42 3.492 8.079 9.056 1.00 0.00 C ATOM 587 OG SER A 42 4.074 9.360 9.223 1.00 0.00 O ATOM 0 H SER A 42 1.157 8.564 8.106 1.00 0.00 H new ATOM 0 HA SER A 42 3.832 8.253 6.941 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.627 7.981 9.712 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.206 7.310 9.352 1.00 0.00 H new ATOM 0 HG SER A 42 4.337 9.480 10.159 1.00 0.00 H new ATOM 593 N VAL A 43 4.022 5.629 7.470 1.00 0.00 N ATOM 594 CA VAL A 43 4.019 4.189 7.241 1.00 0.00 C ATOM 595 C VAL A 43 4.971 3.478 8.196 1.00 0.00 C ATOM 596 O VAL A 43 5.812 4.109 8.836 1.00 0.00 O ATOM 597 CB VAL A 43 4.417 3.851 5.792 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.321 4.271 4.825 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.738 4.516 5.434 1.00 0.00 C ATOM 0 H VAL A 43 4.928 6.011 7.740 1.00 0.00 H new ATOM 0 HA VAL A 43 3.002 3.842 7.422 1.00 0.00 H new ATOM 0 HB VAL A 43 4.545 2.772 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.620 4.024 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.398 3.745 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.158 5.346 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.004 4.267 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.639 5.597 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.518 4.161 6.107 1.00 0.00 H new ATOM 609 N VAL A 44 4.832 2.159 8.288 1.00 0.00 N ATOM 610 CA VAL A 44 5.681 1.361 9.165 1.00 0.00 C ATOM 611 C VAL A 44 6.259 0.160 8.426 1.00 0.00 C ATOM 612 O VAL A 44 5.608 -0.418 7.555 1.00 0.00 O ATOM 613 CB VAL A 44 4.903 0.865 10.399 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.706 1.996 11.396 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.566 0.270 9.982 1.00 0.00 C ATOM 0 H VAL A 44 4.140 1.621 7.766 1.00 0.00 H new ATOM 0 HA VAL A 44 6.495 2.008 9.493 1.00 0.00 H new ATOM 0 HB VAL A 44 5.486 0.083 10.885 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.155 1.627 12.261 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.678 2.371 11.718 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.144 2.803 10.925 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.030 -0.075 10.866 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.973 1.029 9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.736 -0.571 9.309 1.00 0.00 H new ATOM 625 N ALA A 45 7.485 -0.212 8.778 1.00 0.00 N ATOM 626 CA ALA A 45 8.151 -1.346 8.150 1.00 0.00 C ATOM 627 C ALA A 45 8.073 -2.586 9.034 1.00 0.00 C ATOM 628 O ALA A 45 8.536 -2.578 10.175 1.00 0.00 O ATOM 629 CB ALA A 45 9.601 -1.004 7.844 1.00 0.00 C ATOM 0 H ALA A 45 8.038 0.256 9.496 1.00 0.00 H new ATOM 0 HA ALA A 45 7.636 -1.565 7.214 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.086 -1.860 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.638 -0.150 7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.119 -0.756 8.770 1.00 0.00 H new ATOM 635 N LEU A 46 7.485 -3.651 8.500 1.00 0.00 N ATOM 636 CA LEU A 46 7.346 -4.900 9.241 1.00 0.00 C ATOM 637 C LEU A 46 7.622 -6.101 8.341 1.00 0.00 C ATOM 638 O LEU A 46 6.839 -6.407 7.441 1.00 0.00 O ATOM 639 CB LEU A 46 5.943 -5.008 9.839 1.00 0.00 C ATOM 640 CG LEU A 46 5.473 -3.813 10.668 1.00 0.00 C ATOM 641 CD1 LEU A 46 3.954 -3.730 10.673 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.008 -3.906 12.089 1.00 0.00 C ATOM 0 H LEU A 46 7.097 -3.675 7.557 1.00 0.00 H new ATOM 0 HA LEU A 46 8.079 -4.898 10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.234 -5.162 9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.905 -5.898 10.467 1.00 0.00 H new ATOM 0 HG LEU A 46 5.864 -2.903 10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.638 -2.873 11.268 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.593 -3.615 9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.541 -4.642 11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.663 -3.047 12.665 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.647 -4.823 12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.098 -3.915 12.068 1.00 0.00 H new ATOM 654 N ARG A 47 8.738 -6.778 8.591 1.00 0.00 N ATOM 655 CA ARG A 47 9.116 -7.945 7.804 1.00 0.00 C ATOM 656 C ARG A 47 7.985 -8.969 7.773 1.00 0.00 C ATOM 657 O ARG A 47 7.359 -9.249 8.796 1.00 0.00 O ATOM 658 CB ARG A 47 10.382 -8.585 8.377 1.00 0.00 C ATOM 659 CG ARG A 47 10.849 -9.808 7.605 1.00 0.00 C ATOM 660 CD ARG A 47 12.358 -9.977 7.689 1.00 0.00 C ATOM 661 NE ARG A 47 12.818 -10.110 9.069 1.00 0.00 N ATOM 662 CZ ARG A 47 14.082 -9.944 9.441 1.00 0.00 C ATOM 663 NH1 ARG A 47 15.007 -9.640 8.541 1.00 0.00 N ATOM 664 NH2 ARG A 47 14.423 -10.082 10.716 1.00 0.00 N ATOM 0 H ARG A 47 9.396 -6.538 9.332 1.00 0.00 H new ATOM 0 HA ARG A 47 9.313 -7.616 6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.181 -7.844 8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.199 -8.868 9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.360 -10.698 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.550 -9.717 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.656 -10.858 7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.845 -9.119 7.226 1.00 0.00 H new ATOM 0 HE ARG A 47 12.131 -10.343 9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.749 -9.533 7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.977 -9.513 8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.714 -10.316 11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.394 -9.954 11.001 1.00 0.00 H new ATOM 678 N SER A 48 7.729 -9.525 6.593 1.00 0.00 N ATOM 679 CA SER A 48 6.671 -10.515 6.428 1.00 0.00 C ATOM 680 C SER A 48 7.209 -11.927 6.639 1.00 0.00 C ATOM 681 O SER A 48 8.223 -12.309 6.055 1.00 0.00 O ATOM 682 CB SER A 48 6.047 -10.398 5.036 1.00 0.00 C ATOM 683 OG SER A 48 4.743 -10.954 5.014 1.00 0.00 O ATOM 0 H SER A 48 8.240 -9.307 5.737 1.00 0.00 H new ATOM 0 HA SER A 48 5.906 -10.321 7.180 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.004 -9.350 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.676 -10.909 4.308 1.00 0.00 H new ATOM 0 HG SER A 48 4.365 -10.866 4.114 1.00 0.00 H new ATOM 689 N GLN A 49 6.524 -12.696 7.479 1.00 0.00 N ATOM 690 CA GLN A 49 6.934 -14.065 7.769 1.00 0.00 C ATOM 691 C GLN A 49 7.226 -14.829 6.482 1.00 0.00 C ATOM 692 O GLN A 49 8.112 -15.682 6.443 1.00 0.00 O ATOM 693 CB GLN A 49 5.848 -14.786 8.568 1.00 0.00 C ATOM 694 CG GLN A 49 6.236 -16.194 8.989 1.00 0.00 C ATOM 695 CD GLN A 49 6.929 -16.231 10.337 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.385 -15.766 11.340 1.00 0.00 O ATOM 697 NE2 GLN A 49 8.135 -16.784 10.368 1.00 0.00 N ATOM 0 H GLN A 49 5.683 -12.394 7.971 1.00 0.00 H new ATOM 0 HA GLN A 49 7.847 -14.026 8.363 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.614 -14.201 9.458 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.938 -14.832 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.342 -16.817 9.027 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.894 -16.626 8.235 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.547 -17.157 9.513 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.650 -16.836 11.247 1.00 0.00 H new ATOM 706 N ASN A 50 6.476 -14.516 5.430 1.00 0.00 N ATOM 707 CA ASN A 50 6.655 -15.175 4.141 1.00 0.00 C ATOM 708 C ASN A 50 8.134 -15.406 3.849 1.00 0.00 C ATOM 709 O ASN A 50 8.616 -16.539 3.886 1.00 0.00 O ATOM 710 CB ASN A 50 6.029 -14.336 3.025 1.00 0.00 C ATOM 711 CG ASN A 50 4.514 -14.402 3.033 1.00 0.00 C ATOM 712 OD1 ASN A 50 3.879 -14.224 4.073 1.00 0.00 O ATOM 713 ND2 ASN A 50 3.927 -14.660 1.870 1.00 0.00 N ATOM 0 H ASN A 50 5.739 -13.811 5.445 1.00 0.00 H new ATOM 0 HA ASN A 50 6.156 -16.143 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.345 -13.299 3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.400 -14.684 2.061 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.910 -14.717 1.814 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.493 -14.801 1.033 1.00 0.00 H new ATOM 720 N LEU A 51 8.851 -14.326 3.559 1.00 0.00 N ATOM 721 CA LEU A 51 10.276 -14.410 3.261 1.00 0.00 C ATOM 722 C LEU A 51 10.903 -13.021 3.203 1.00 0.00 C ATOM 723 O LEU A 51 10.245 -12.019 3.481 1.00 0.00 O ATOM 724 CB LEU A 51 10.498 -15.138 1.935 1.00 0.00 C ATOM 725 CG LEU A 51 10.152 -14.351 0.670 1.00 0.00 C ATOM 726 CD1 LEU A 51 8.921 -13.488 0.899 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.333 -13.494 0.236 1.00 0.00 C ATOM 0 H LEU A 51 8.468 -13.381 3.524 1.00 0.00 H new ATOM 0 HA LEU A 51 10.757 -14.972 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.545 -15.436 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.906 -16.053 1.943 1.00 0.00 H new ATOM 0 HG LEU A 51 9.930 -15.060 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.690 -12.935 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.075 -14.123 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.114 -12.786 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.069 -12.941 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.585 -12.793 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.191 -14.134 0.031 1.00 0.00 H new ATOM 739 N GLY A 52 12.180 -12.968 2.836 1.00 0.00 N ATOM 740 CA GLY A 52 12.874 -11.697 2.746 1.00 0.00 C ATOM 741 C GLY A 52 12.027 -10.619 2.100 1.00 0.00 C ATOM 742 O GLY A 52 12.040 -10.454 0.880 1.00 0.00 O ATOM 0 H GLY A 52 12.746 -13.783 2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.167 -11.375 3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.791 -11.827 2.172 1.00 0.00 H new ATOM 746 N LYS A 53 11.286 -9.881 2.920 1.00 0.00 N ATOM 747 CA LYS A 53 10.427 -8.813 2.424 1.00 0.00 C ATOM 748 C LYS A 53 9.835 -8.009 3.577 1.00 0.00 C ATOM 749 O LYS A 53 9.825 -8.463 4.722 1.00 0.00 O ATOM 750 CB LYS A 53 9.303 -9.392 1.562 1.00 0.00 C ATOM 751 CG LYS A 53 8.142 -9.947 2.370 1.00 0.00 C ATOM 752 CD LYS A 53 7.020 -10.437 1.470 1.00 0.00 C ATOM 753 CE LYS A 53 6.239 -9.278 0.871 1.00 0.00 C ATOM 754 NZ LYS A 53 5.041 -9.745 0.120 1.00 0.00 N ATOM 0 H LYS A 53 11.263 -10.004 3.932 1.00 0.00 H new ATOM 0 HA LYS A 53 11.037 -8.146 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.931 -8.615 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.710 -10.185 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.493 -10.768 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.762 -9.176 3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.435 -11.049 0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.346 -11.074 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.928 -8.601 1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.887 -8.710 0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.536 -8.925 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.339 -10.371 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.410 -10.265 0.762 1.00 0.00 H new ATOM 768 N VAL A 54 9.342 -6.814 3.269 1.00 0.00 N ATOM 769 CA VAL A 54 8.746 -5.949 4.280 1.00 0.00 C ATOM 770 C VAL A 54 7.390 -5.423 3.823 1.00 0.00 C ATOM 771 O VAL A 54 7.218 -5.045 2.664 1.00 0.00 O ATOM 772 CB VAL A 54 9.663 -4.756 4.609 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.163 -4.024 5.845 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.097 -5.225 4.801 1.00 0.00 C ATOM 0 H VAL A 54 9.344 -6.423 2.327 1.00 0.00 H new ATOM 0 HA VAL A 54 8.614 -6.554 5.177 1.00 0.00 H new ATOM 0 HB VAL A 54 9.641 -4.060 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.823 -3.184 6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.153 -3.655 5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.154 -4.708 6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.732 -4.370 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.139 -5.941 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.450 -5.701 3.886 1.00 0.00 H new ATOM 784 N ASP A 55 6.430 -5.401 4.741 1.00 0.00 N ATOM 785 CA ASP A 55 5.089 -4.919 4.433 1.00 0.00 C ATOM 786 C ASP A 55 4.901 -3.485 4.919 1.00 0.00 C ATOM 787 O ASP A 55 4.930 -3.219 6.121 1.00 0.00 O ATOM 788 CB ASP A 55 4.038 -5.829 5.071 1.00 0.00 C ATOM 789 CG ASP A 55 4.375 -7.299 4.917 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.390 -7.788 3.768 1.00 0.00 O ATOM 791 OD2 ASP A 55 4.624 -7.961 5.947 1.00 0.00 O ATOM 0 H ASP A 55 6.556 -5.711 5.704 1.00 0.00 H new ATOM 0 HA ASP A 55 4.964 -4.935 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.949 -5.589 6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.067 -5.632 4.616 1.00 0.00 H new ATOM 796 N ILE A 56 4.711 -2.567 3.978 1.00 0.00 N ATOM 797 CA ILE A 56 4.519 -1.161 4.311 1.00 0.00 C ATOM 798 C ILE A 56 3.052 -0.859 4.598 1.00 0.00 C ATOM 799 O ILE A 56 2.232 -0.782 3.683 1.00 0.00 O ATOM 800 CB ILE A 56 5.007 -0.242 3.176 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.462 -0.559 2.823 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.860 1.219 3.576 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.419 -0.371 3.979 1.00 0.00 C ATOM 0 H ILE A 56 4.686 -2.771 2.979 1.00 0.00 H new ATOM 0 HA ILE A 56 5.110 -0.966 5.206 1.00 0.00 H new ATOM 0 HB ILE A 56 4.391 -0.421 2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.526 -1.589 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.774 0.079 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.209 1.856 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.812 1.436 3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.453 1.413 4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.431 -0.614 3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.384 0.665 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.132 -1.029 4.799 1.00 0.00 H new ATOM 815 N PHE A 57 2.728 -0.688 5.876 1.00 0.00 N ATOM 816 CA PHE A 57 1.360 -0.394 6.285 1.00 0.00 C ATOM 817 C PHE A 57 1.168 1.104 6.505 1.00 0.00 C ATOM 818 O PHE A 57 2.047 1.782 7.038 1.00 0.00 O ATOM 819 CB PHE A 57 1.012 -1.158 7.564 1.00 0.00 C ATOM 820 CG PHE A 57 1.167 -2.646 7.435 1.00 0.00 C ATOM 821 CD1 PHE A 57 0.135 -3.422 6.931 1.00 0.00 C ATOM 822 CD2 PHE A 57 2.344 -3.269 7.815 1.00 0.00 C ATOM 823 CE1 PHE A 57 0.275 -4.792 6.812 1.00 0.00 C ATOM 824 CE2 PHE A 57 2.490 -4.639 7.698 1.00 0.00 C ATOM 825 CZ PHE A 57 1.454 -5.401 7.194 1.00 0.00 C ATOM 0 H PHE A 57 3.395 -0.748 6.646 1.00 0.00 H new ATOM 0 HA PHE A 57 0.692 -0.714 5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.649 -0.803 8.374 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.016 -0.931 7.845 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.789 -2.951 6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.158 -2.677 8.208 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.538 -5.386 6.420 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.412 -5.112 8.000 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.566 -6.471 7.099 1.00 0.00 H new ATOM 835 N VAL A 58 0.013 1.614 6.091 1.00 0.00 N ATOM 836 CA VAL A 58 -0.296 3.031 6.243 1.00 0.00 C ATOM 837 C VAL A 58 -0.686 3.357 7.680 1.00 0.00 C ATOM 838 O VAL A 58 -1.781 3.019 8.130 1.00 0.00 O ATOM 839 CB VAL A 58 -1.437 3.461 5.302 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.711 4.951 5.441 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.103 3.103 3.862 1.00 0.00 C ATOM 0 H VAL A 58 -0.725 1.067 5.647 1.00 0.00 H new ATOM 0 HA VAL A 58 0.607 3.582 5.981 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.341 2.922 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.520 5.236 4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.998 5.174 6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.812 5.512 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.920 3.414 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.187 3.613 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.962 2.025 3.778 1.00 0.00 H new ATOM 851 N LYS A 59 0.217 4.017 8.397 1.00 0.00 N ATOM 852 CA LYS A 59 -0.032 4.392 9.784 1.00 0.00 C ATOM 853 C LYS A 59 -0.131 5.907 9.929 1.00 0.00 C ATOM 854 O LYS A 59 0.446 6.655 9.138 1.00 0.00 O ATOM 855 CB LYS A 59 1.081 3.855 10.687 1.00 0.00 C ATOM 856 CG LYS A 59 1.255 2.348 10.606 1.00 0.00 C ATOM 857 CD LYS A 59 0.307 1.625 11.548 1.00 0.00 C ATOM 858 CE LYS A 59 0.525 2.051 12.992 1.00 0.00 C ATOM 859 NZ LYS A 59 -0.378 3.169 13.383 1.00 0.00 N ATOM 0 H LYS A 59 1.129 4.303 8.040 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.982 3.952 10.088 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.021 4.336 10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.866 4.133 11.719 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.077 2.015 9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.284 2.086 10.852 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.723 1.831 11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.454 0.549 11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.355 1.200 13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.562 2.358 13.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.191 3.996 13.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.990 3.418 12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.966 2.875 14.189 1.00 0.00 H new ATOM 873 N ASP A 60 -0.864 6.354 10.943 1.00 0.00 N ATOM 874 CA ASP A 60 -1.036 7.780 11.192 1.00 0.00 C ATOM 875 C ASP A 60 -1.676 8.469 9.991 1.00 0.00 C ATOM 876 O ASP A 60 -1.140 9.443 9.463 1.00 0.00 O ATOM 877 CB ASP A 60 0.312 8.430 11.511 1.00 0.00 C ATOM 878 CG ASP A 60 0.641 8.386 12.990 1.00 0.00 C ATOM 879 OD1 ASP A 60 -0.287 8.552 13.809 1.00 0.00 O ATOM 880 OD2 ASP A 60 1.826 8.185 13.329 1.00 0.00 O ATOM 0 H ASP A 60 -1.349 5.749 11.606 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.699 7.896 12.050 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.098 7.922 10.952 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.300 9.467 11.175 1.00 0.00 H new ATOM 885 N VAL A 61 -2.824 7.954 9.563 1.00 0.00 N ATOM 886 CA VAL A 61 -3.537 8.520 8.424 1.00 0.00 C ATOM 887 C VAL A 61 -4.246 9.814 8.806 1.00 0.00 C ATOM 888 O VAL A 61 -5.305 9.792 9.433 1.00 0.00 O ATOM 889 CB VAL A 61 -4.573 7.528 7.862 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.392 8.179 6.758 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.884 6.270 7.354 1.00 0.00 C ATOM 0 H VAL A 61 -3.280 7.146 9.987 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.791 8.730 7.657 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.252 7.244 8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.118 7.463 6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.915 9.048 7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.730 8.493 5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.630 5.580 6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.181 6.534 6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.346 5.794 8.174 1.00 0.00 H new ATOM 901 N GLN A 62 -3.654 10.941 8.424 1.00 0.00 N ATOM 902 CA GLN A 62 -4.228 12.247 8.727 1.00 0.00 C ATOM 903 C GLN A 62 -5.630 12.374 8.141 1.00 0.00 C ATOM 904 O GLN A 62 -5.842 12.221 6.937 1.00 0.00 O ATOM 905 CB GLN A 62 -3.332 13.361 8.183 1.00 0.00 C ATOM 906 CG GLN A 62 -2.058 13.563 8.986 1.00 0.00 C ATOM 907 CD GLN A 62 -2.231 14.560 10.115 1.00 0.00 C ATOM 908 OE1 GLN A 62 -3.347 14.814 10.569 1.00 0.00 O ATOM 909 NE2 GLN A 62 -1.124 15.132 10.575 1.00 0.00 N ATOM 0 H GLN A 62 -2.777 10.976 7.904 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.296 12.343 9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.068 13.132 7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.895 14.294 8.169 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.737 12.606 9.398 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.265 13.906 8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.219 14.892 10.169 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.178 15.811 11.334 1.00 0.00 H new ATOM 918 N PRO A 63 -6.612 12.659 9.009 1.00 0.00 N ATOM 919 CA PRO A 63 -8.011 12.813 8.599 1.00 0.00 C ATOM 920 C PRO A 63 -8.238 14.076 7.776 1.00 0.00 C ATOM 921 O PRO A 63 -9.266 14.222 7.116 1.00 0.00 O ATOM 922 CB PRO A 63 -8.763 12.900 9.930 1.00 0.00 C ATOM 923 CG PRO A 63 -7.756 13.412 10.901 1.00 0.00 C ATOM 924 CD PRO A 63 -6.432 12.855 10.457 1.00 0.00 C ATOM 0 HA PRO A 63 -8.341 11.994 7.960 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.620 13.570 9.858 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.145 11.925 10.233 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.739 14.502 10.907 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.994 13.091 11.915 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.615 13.544 10.671 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.200 11.918 10.963 1.00 0.00 H new ATOM 932 N GLY A 64 -7.271 14.988 7.819 1.00 0.00 N ATOM 933 CA GLY A 64 -7.386 16.227 7.072 1.00 0.00 C ATOM 934 C GLY A 64 -6.226 16.438 6.119 1.00 0.00 C ATOM 935 O GLY A 64 -5.718 17.551 5.987 1.00 0.00 O ATOM 0 H GLY A 64 -6.410 14.891 8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.319 16.223 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.437 17.064 7.768 1.00 0.00 H new ATOM 939 N SER A 65 -5.806 15.367 5.454 1.00 0.00 N ATOM 940 CA SER A 65 -4.695 15.439 4.512 1.00 0.00 C ATOM 941 C SER A 65 -5.092 14.856 3.159 1.00 0.00 C ATOM 942 O SER A 65 -6.145 14.234 3.022 1.00 0.00 O ATOM 943 CB SER A 65 -3.480 14.692 5.065 1.00 0.00 C ATOM 944 OG SER A 65 -3.022 15.284 6.268 1.00 0.00 O ATOM 0 H SER A 65 -6.218 14.439 5.550 1.00 0.00 H new ATOM 0 HA SER A 65 -4.435 16.489 4.374 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.741 13.649 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.679 14.696 4.326 1.00 0.00 H new ATOM 0 HG SER A 65 -2.095 15.581 6.154 1.00 0.00 H new ATOM 950 N VAL A 66 -4.240 15.064 2.160 1.00 0.00 N ATOM 951 CA VAL A 66 -4.499 14.559 0.816 1.00 0.00 C ATOM 952 C VAL A 66 -4.772 13.059 0.836 1.00 0.00 C ATOM 953 O VAL A 66 -5.694 12.577 0.179 1.00 0.00 O ATOM 954 CB VAL A 66 -3.315 14.842 -0.128 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.009 14.380 0.500 1.00 0.00 C ATOM 956 CG2 VAL A 66 -3.536 14.170 -1.474 1.00 0.00 C ATOM 0 H VAL A 66 -3.365 15.579 2.256 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.381 15.081 0.446 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.251 15.918 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.184 14.588 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.848 14.912 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.058 13.309 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.690 14.380 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.627 13.093 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.450 14.555 -1.927 1.00 0.00 H new ATOM 966 N ALA A 67 -3.963 12.326 1.595 1.00 0.00 N ATOM 967 CA ALA A 67 -4.119 10.881 1.703 1.00 0.00 C ATOM 968 C ALA A 67 -5.591 10.492 1.789 1.00 0.00 C ATOM 969 O ALA A 67 -5.968 9.372 1.445 1.00 0.00 O ATOM 970 CB ALA A 67 -3.361 10.357 2.913 1.00 0.00 C ATOM 0 H ALA A 67 -3.193 12.710 2.144 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.703 10.428 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.487 9.276 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.302 10.593 2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.750 10.825 3.817 1.00 0.00 H new ATOM 976 N ASP A 68 -6.418 11.424 2.252 1.00 0.00 N ATOM 977 CA ASP A 68 -7.849 11.178 2.383 1.00 0.00 C ATOM 978 C ASP A 68 -8.629 11.914 1.298 1.00 0.00 C ATOM 979 O ASP A 68 -9.192 11.294 0.396 1.00 0.00 O ATOM 980 CB ASP A 68 -8.338 11.615 3.765 1.00 0.00 C ATOM 981 CG ASP A 68 -9.611 10.903 4.181 1.00 0.00 C ATOM 982 OD1 ASP A 68 -10.658 11.143 3.545 1.00 0.00 O ATOM 983 OD2 ASP A 68 -9.559 10.108 5.142 1.00 0.00 O ATOM 0 H ASP A 68 -6.122 12.356 2.542 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.021 10.108 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.559 11.420 4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.511 12.691 3.762 1.00 0.00 H new ATOM 988 N ARG A 69 -8.657 13.239 1.393 1.00 0.00 N ATOM 989 CA ARG A 69 -9.369 14.060 0.420 1.00 0.00 C ATOM 990 C ARG A 69 -9.158 13.531 -0.995 1.00 0.00 C ATOM 991 O ARG A 69 -10.048 13.622 -1.842 1.00 0.00 O ATOM 992 CB ARG A 69 -8.902 15.514 0.508 1.00 0.00 C ATOM 993 CG ARG A 69 -7.751 15.841 -0.430 1.00 0.00 C ATOM 994 CD ARG A 69 -6.919 17.002 0.093 1.00 0.00 C ATOM 995 NE ARG A 69 -7.418 18.290 -0.382 1.00 0.00 N ATOM 996 CZ ARG A 69 -8.392 18.967 0.216 1.00 0.00 C ATOM 997 NH1 ARG A 69 -8.969 18.481 1.306 1.00 0.00 N ATOM 998 NH2 ARG A 69 -8.790 20.133 -0.277 1.00 0.00 N ATOM 0 H ARG A 69 -8.195 13.767 2.133 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.433 14.013 0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.742 16.171 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.597 15.728 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.117 14.962 -0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.143 16.088 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.925 16.990 1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.883 16.876 -0.221 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.995 18.692 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.665 17.585 1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.717 19.003 1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.348 20.510 -1.115 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.538 20.652 0.183 1.00 0.00 H new ATOM 1012 N ASP A 70 -7.976 12.979 -1.245 1.00 0.00 N ATOM 1013 CA ASP A 70 -7.648 12.435 -2.558 1.00 0.00 C ATOM 1014 C ASP A 70 -8.503 11.211 -2.868 1.00 0.00 C ATOM 1015 O ASP A 70 -9.184 11.161 -3.892 1.00 0.00 O ATOM 1016 CB ASP A 70 -6.165 12.067 -2.625 1.00 0.00 C ATOM 1017 CG ASP A 70 -5.897 10.655 -2.144 1.00 0.00 C ATOM 1018 OD1 ASP A 70 -6.219 9.703 -2.886 1.00 0.00 O ATOM 1019 OD2 ASP A 70 -5.363 10.501 -1.025 1.00 0.00 O ATOM 0 H ASP A 70 -7.229 12.896 -0.556 1.00 0.00 H new ATOM 0 HA ASP A 70 -7.858 13.201 -3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.814 12.171 -3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.592 12.769 -2.020 1.00 0.00 H new ATOM 1024 N GLN A 71 -8.462 10.226 -1.977 1.00 0.00 N ATOM 1025 CA GLN A 71 -9.232 9.001 -2.157 1.00 0.00 C ATOM 1026 C GLN A 71 -9.347 8.232 -0.845 1.00 0.00 C ATOM 1027 O GLN A 71 -8.591 8.474 0.096 1.00 0.00 O ATOM 1028 CB GLN A 71 -8.584 8.117 -3.224 1.00 0.00 C ATOM 1029 CG GLN A 71 -9.583 7.304 -4.030 1.00 0.00 C ATOM 1030 CD GLN A 71 -10.061 8.030 -5.271 1.00 0.00 C ATOM 1031 OE1 GLN A 71 -9.764 9.209 -5.468 1.00 0.00 O ATOM 1032 NE2 GLN A 71 -10.807 7.330 -6.118 1.00 0.00 N ATOM 0 H GLN A 71 -7.904 10.252 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.234 9.278 -2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.008 8.745 -3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.880 7.438 -2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.125 6.358 -4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.441 7.063 -3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.029 6.355 -5.916 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.157 7.767 -6.970 1.00 0.00 H new ATOM 1041 N ARG A 72 -10.298 7.305 -0.789 1.00 0.00 N ATOM 1042 CA ARG A 72 -10.513 6.502 0.409 1.00 0.00 C ATOM 1043 C ARG A 72 -9.236 5.768 0.808 1.00 0.00 C ATOM 1044 O ARG A 72 -8.680 4.996 0.025 1.00 0.00 O ATOM 1045 CB ARG A 72 -11.641 5.495 0.178 1.00 0.00 C ATOM 1046 CG ARG A 72 -11.506 4.716 -1.120 1.00 0.00 C ATOM 1047 CD ARG A 72 -12.863 4.445 -1.750 1.00 0.00 C ATOM 1048 NE ARG A 72 -13.426 3.171 -1.313 1.00 0.00 N ATOM 1049 CZ ARG A 72 -12.913 1.990 -1.640 1.00 0.00 C ATOM 1050 NH1 ARG A 72 -11.831 1.922 -2.404 1.00 0.00 N ATOM 1051 NH2 ARG A 72 -13.482 0.874 -1.203 1.00 0.00 N ATOM 0 H ARG A 72 -10.932 7.092 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.795 7.173 1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.667 4.793 1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.594 6.024 0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.884 5.276 -1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.998 3.771 -0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.549 5.252 -1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.765 4.444 -2.836 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.259 3.189 -0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.391 2.778 -2.742 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.439 1.014 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.314 0.922 -0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.087 -0.032 -1.455 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.775 6.015 2.029 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.562 5.378 2.532 1.00 0.00 C ATOM 1067 C LEU A 73 -7.675 5.096 4.027 1.00 0.00 C ATOM 1068 O LEU A 73 -7.782 6.017 4.837 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.346 6.264 2.259 1.00 0.00 C ATOM 1070 CG LEU A 73 -5.018 5.536 2.052 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.991 6.467 1.426 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.502 4.982 3.372 1.00 0.00 C ATOM 0 H LEU A 73 -9.222 6.651 2.689 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.436 4.429 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.550 6.864 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.232 6.956 3.093 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.186 4.702 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.052 5.932 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.357 6.816 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.827 7.322 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.556 4.467 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.351 5.800 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.229 4.281 3.782 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.650 3.817 4.386 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.746 3.413 5.784 1.00 0.00 C ATOM 1086 C LYS A 74 -6.366 3.104 6.357 1.00 0.00 C ATOM 1087 O LYS A 74 -5.398 2.945 5.614 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.652 2.187 5.920 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.009 2.357 5.259 1.00 0.00 C ATOM 1090 CD LYS A 74 -11.029 2.941 6.222 1.00 0.00 C ATOM 1091 CE LYS A 74 -12.450 2.750 5.713 1.00 0.00 C ATOM 1092 NZ LYS A 74 -13.442 3.476 6.552 1.00 0.00 N ATOM 0 H LYS A 74 -7.564 3.042 3.728 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.177 4.241 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.150 1.324 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.797 1.969 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.913 3.009 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.361 1.392 4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.924 2.466 7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.831 4.004 6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.518 3.103 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.692 1.687 5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.398 3.321 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.396 3.122 7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.227 4.493 6.542 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.286 3.019 7.681 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.024 2.729 8.352 1.00 0.00 C ATOM 1108 C GLU A 75 -4.669 1.250 8.227 1.00 0.00 C ATOM 1109 O GLU A 75 -5.499 0.434 7.828 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.104 3.123 9.828 1.00 0.00 C ATOM 1111 CG GLU A 75 -3.749 3.402 10.458 1.00 0.00 C ATOM 1112 CD GLU A 75 -3.858 4.178 11.756 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -4.890 4.039 12.445 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -2.911 4.924 12.082 1.00 0.00 O ATOM 0 H GLU A 75 -7.079 3.147 8.310 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.242 3.315 7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.730 4.010 9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.595 2.324 10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.238 2.457 10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.134 3.963 9.754 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.430 0.914 8.571 1.00 0.00 N ATOM 1122 CA ASN A 76 -2.964 -0.466 8.497 1.00 0.00 C ATOM 1123 C ASN A 76 -3.178 -1.038 7.099 1.00 0.00 C ATOM 1124 O ASN A 76 -3.393 -2.239 6.934 1.00 0.00 O ATOM 1125 CB ASN A 76 -3.693 -1.329 9.530 1.00 0.00 C ATOM 1126 CG ASN A 76 -3.300 -0.982 10.953 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -2.384 -1.578 11.518 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -3.995 -0.013 11.538 1.00 0.00 N ATOM 0 H ASN A 76 -2.731 1.578 8.904 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.896 -0.475 8.715 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.769 -1.202 9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.474 -2.380 9.341 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.777 0.265 12.495 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.747 0.454 11.030 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.118 -0.170 6.095 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.303 -0.588 4.710 1.00 0.00 C ATOM 1137 C ASP A 77 -1.984 -1.057 4.103 1.00 0.00 C ATOM 1138 O ASP A 77 -1.147 -0.244 3.712 1.00 0.00 O ATOM 1139 CB ASP A 77 -3.880 0.560 3.881 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.388 0.661 4.002 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -5.941 0.133 4.990 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.015 1.268 3.109 1.00 0.00 O ATOM 0 H ASP A 77 -2.943 0.828 6.214 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.005 -1.422 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.429 1.499 4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.611 0.419 2.834 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.807 -2.372 4.030 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.589 -2.949 3.472 1.00 0.00 C ATOM 1149 C GLN A 78 -0.441 -2.586 1.998 1.00 0.00 C ATOM 1150 O GLN A 78 -1.187 -3.076 1.150 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.598 -4.469 3.637 1.00 0.00 C ATOM 1152 CG GLN A 78 0.790 -5.089 3.644 1.00 0.00 C ATOM 1153 CD GLN A 78 0.799 -6.507 3.110 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.027 -7.356 3.555 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.677 -6.772 2.149 1.00 0.00 N ATOM 0 H GLN A 78 -2.491 -3.058 4.350 1.00 0.00 H new ATOM 0 HA GLN A 78 0.261 -2.537 4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.104 -4.722 4.569 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.180 -4.910 2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.461 -4.475 3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.180 -5.086 4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.298 -6.038 1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.730 -7.710 1.751 1.00 0.00 H new ATOM 1164 N ILE A 79 0.526 -1.724 1.701 1.00 0.00 N ATOM 1165 CA ILE A 79 0.773 -1.297 0.329 1.00 0.00 C ATOM 1166 C ILE A 79 1.475 -2.390 -0.469 1.00 0.00 C ATOM 1167 O ILE A 79 2.641 -2.700 -0.225 1.00 0.00 O ATOM 1168 CB ILE A 79 1.625 -0.015 0.284 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.928 1.115 1.044 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.891 0.394 -1.157 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.624 2.451 0.912 1.00 0.00 C ATOM 0 H ILE A 79 1.151 -1.308 2.392 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.200 -1.093 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 79 2.581 -0.216 0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.095 1.210 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.867 0.849 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.494 1.302 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.426 -0.406 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.944 0.579 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.075 3.205 1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.638 2.373 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.661 2.740 -0.138 1.00 0.00 H new ATOM 1183 N LEU A 80 0.757 -2.969 -1.426 1.00 0.00 N ATOM 1184 CA LEU A 80 1.312 -4.027 -2.263 1.00 0.00 C ATOM 1185 C LEU A 80 2.217 -3.447 -3.345 1.00 0.00 C ATOM 1186 O LEU A 80 3.320 -3.942 -3.577 1.00 0.00 O ATOM 1187 CB LEU A 80 0.186 -4.838 -2.906 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.838 -5.445 -1.945 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.965 -6.112 -2.717 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.167 -6.440 -1.010 1.00 0.00 C ATOM 0 H LEU A 80 -0.209 -2.724 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 80 1.909 -4.683 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.343 -4.194 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.633 -5.645 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.264 -4.642 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.683 -6.538 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.464 -5.373 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.557 -6.904 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.910 -6.862 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.287 -7.240 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.604 -5.932 -0.431 1.00 0.00 H new ATOM 1202 N ALA A 81 1.744 -2.393 -4.003 1.00 0.00 N ATOM 1203 CA ALA A 81 2.513 -1.743 -5.057 1.00 0.00 C ATOM 1204 C ALA A 81 2.423 -0.225 -4.946 1.00 0.00 C ATOM 1205 O ALA A 81 1.420 0.314 -4.476 1.00 0.00 O ATOM 1206 CB ALA A 81 2.028 -2.203 -6.424 1.00 0.00 C ATOM 0 H ALA A 81 0.832 -1.972 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 81 3.558 -2.029 -4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.611 -1.710 -7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.150 -3.283 -6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.975 -1.946 -6.542 1.00 0.00 H new ATOM 1212 N ILE A 82 3.476 0.459 -5.379 1.00 0.00 N ATOM 1213 CA ILE A 82 3.515 1.915 -5.328 1.00 0.00 C ATOM 1214 C ILE A 82 3.972 2.500 -6.660 1.00 0.00 C ATOM 1215 O ILE A 82 5.097 2.268 -7.098 1.00 0.00 O ATOM 1216 CB ILE A 82 4.451 2.415 -4.212 1.00 0.00 C ATOM 1217 CG1 ILE A 82 3.928 1.976 -2.843 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.588 3.928 -4.273 1.00 0.00 C ATOM 1219 CD1 ILE A 82 4.927 2.172 -1.723 1.00 0.00 C ATOM 0 H ILE A 82 4.314 0.028 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 82 2.500 2.250 -5.116 1.00 0.00 H new ATOM 0 HB ILE A 82 5.437 1.975 -4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.022 2.536 -2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.649 0.923 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.253 4.266 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.002 4.217 -5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.608 4.388 -4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.489 1.840 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.825 1.590 -1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.188 3.228 -1.649 1.00 0.00 H new ATOM 1231 N ASN A 83 3.090 3.263 -7.298 1.00 0.00 N ATOM 1232 CA ASN A 83 3.404 3.884 -8.580 1.00 0.00 C ATOM 1233 C ASN A 83 3.705 2.826 -9.637 1.00 0.00 C ATOM 1234 O ASN A 83 4.671 2.944 -10.392 1.00 0.00 O ATOM 1235 CB ASN A 83 4.597 4.830 -8.435 1.00 0.00 C ATOM 1236 CG ASN A 83 4.217 6.144 -7.781 1.00 0.00 C ATOM 1237 OD1 ASN A 83 4.698 6.473 -6.696 1.00 0.00 O ATOM 1238 ND2 ASN A 83 3.348 6.903 -8.439 1.00 0.00 N ATOM 0 H ASN A 83 2.153 3.466 -6.949 1.00 0.00 H new ATOM 0 HA ASN A 83 2.533 4.456 -8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.373 4.344 -7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.023 5.027 -9.419 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.054 7.798 -8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.975 6.591 -9.336 1.00 0.00 H new ATOM 1245 N HIS A 84 2.872 1.791 -9.686 1.00 0.00 N ATOM 1246 CA HIS A 84 3.048 0.712 -10.652 1.00 0.00 C ATOM 1247 C HIS A 84 4.325 -0.072 -10.363 1.00 0.00 C ATOM 1248 O HIS A 84 5.176 -0.237 -11.237 1.00 0.00 O ATOM 1249 CB HIS A 84 3.091 1.273 -12.073 1.00 0.00 C ATOM 1250 CG HIS A 84 2.933 0.228 -13.135 1.00 0.00 C ATOM 1251 ND1 HIS A 84 3.523 0.323 -14.377 1.00 0.00 N ATOM 1252 CD2 HIS A 84 2.249 -0.939 -13.133 1.00 0.00 C ATOM 1253 CE1 HIS A 84 3.207 -0.740 -15.095 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.435 -1.522 -14.362 1.00 0.00 N ATOM 0 H HIS A 84 2.069 1.677 -9.068 1.00 0.00 H new ATOM 0 HA HIS A 84 2.198 0.035 -10.563 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.301 2.016 -12.186 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.039 1.790 -12.222 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.665 -1.338 -12.317 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.525 -0.936 -16.108 1.00 0.00 H new ATOM 0 HE2 HIS A 84 2.041 -2.414 -14.661 1.00 0.00 H new ATOM 1263 N THR A 85 4.453 -0.552 -9.130 1.00 0.00 N ATOM 1264 CA THR A 85 5.626 -1.317 -8.725 1.00 0.00 C ATOM 1265 C THR A 85 5.386 -2.032 -7.401 1.00 0.00 C ATOM 1266 O THR A 85 5.256 -1.409 -6.346 1.00 0.00 O ATOM 1267 CB THR A 85 6.866 -0.414 -8.591 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.310 0.005 -9.887 1.00 0.00 O ATOM 1269 CG2 THR A 85 7.992 -1.144 -7.875 1.00 0.00 C ATOM 0 H THR A 85 3.758 -0.424 -8.394 1.00 0.00 H new ATOM 0 HA THR A 85 5.807 -2.056 -9.506 1.00 0.00 H new ATOM 0 HB THR A 85 6.589 0.461 -8.002 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.668 -0.292 -10.565 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.857 -0.486 -7.792 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.661 -1.435 -6.878 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.266 -2.034 -8.441 1.00 0.00 H new ATOM 1277 N PRO A 86 5.327 -3.371 -7.452 1.00 0.00 N ATOM 1278 CA PRO A 86 5.104 -4.200 -6.264 1.00 0.00 C ATOM 1279 C PRO A 86 6.300 -4.191 -5.318 1.00 0.00 C ATOM 1280 O PRO A 86 7.450 -4.153 -5.756 1.00 0.00 O ATOM 1281 CB PRO A 86 4.890 -5.600 -6.843 1.00 0.00 C ATOM 1282 CG PRO A 86 5.604 -5.582 -8.150 1.00 0.00 C ATOM 1283 CD PRO A 86 5.474 -4.179 -8.674 1.00 0.00 C ATOM 0 HA PRO A 86 4.267 -3.839 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.293 -6.368 -6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.830 -5.817 -6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.652 -5.857 -8.026 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.166 -6.300 -8.844 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.351 -3.882 -9.249 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.611 -4.074 -9.332 1.00 0.00 H new ATOM 1291 N LEU A 87 6.022 -4.227 -4.020 1.00 0.00 N ATOM 1292 CA LEU A 87 7.076 -4.224 -3.011 1.00 0.00 C ATOM 1293 C LEU A 87 7.466 -5.647 -2.627 1.00 0.00 C ATOM 1294 O LEU A 87 7.610 -5.965 -1.446 1.00 0.00 O ATOM 1295 CB LEU A 87 6.619 -3.455 -1.770 1.00 0.00 C ATOM 1296 CG LEU A 87 5.863 -2.152 -2.028 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.530 -1.459 -0.716 1.00 0.00 C ATOM 1298 CD2 LEU A 87 6.676 -1.232 -2.928 1.00 0.00 C ATOM 0 H LEU A 87 5.076 -4.259 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 87 7.950 -3.730 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.982 -4.110 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.496 -3.229 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 87 4.929 -2.391 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.992 -0.533 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.907 -2.114 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.452 -1.232 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.122 -0.309 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.627 -1.000 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.862 -1.727 -3.881 1.00 0.00 H new ATOM 1310 N ASP A 88 7.636 -6.500 -3.631 1.00 0.00 N ATOM 1311 CA ASP A 88 8.013 -7.890 -3.398 1.00 0.00 C ATOM 1312 C ASP A 88 9.432 -7.983 -2.847 1.00 0.00 C ATOM 1313 O ASP A 88 10.141 -6.981 -2.760 1.00 0.00 O ATOM 1314 CB ASP A 88 7.902 -8.694 -4.695 1.00 0.00 C ATOM 1315 CG ASP A 88 7.964 -10.190 -4.455 1.00 0.00 C ATOM 1316 OD1 ASP A 88 7.402 -10.652 -3.440 1.00 0.00 O ATOM 1317 OD2 ASP A 88 8.575 -10.898 -5.282 1.00 0.00 O ATOM 0 H ASP A 88 7.519 -6.254 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 88 7.328 -8.308 -2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.964 -8.447 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.707 -8.403 -5.370 1.00 0.00 H new ATOM 1322 N GLN A 89 9.839 -9.193 -2.476 1.00 0.00 N ATOM 1323 CA GLN A 89 11.174 -9.416 -1.932 1.00 0.00 C ATOM 1324 C GLN A 89 12.190 -8.485 -2.585 1.00 0.00 C ATOM 1325 O GLN A 89 13.053 -7.922 -1.912 1.00 0.00 O ATOM 1326 CB GLN A 89 11.593 -10.873 -2.135 1.00 0.00 C ATOM 1327 CG GLN A 89 11.957 -11.206 -3.574 1.00 0.00 C ATOM 1328 CD GLN A 89 12.296 -12.671 -3.765 1.00 0.00 C ATOM 1329 OE1 GLN A 89 13.461 -13.064 -3.704 1.00 0.00 O ATOM 1330 NE2 GLN A 89 11.276 -13.489 -3.999 1.00 0.00 N ATOM 0 H GLN A 89 9.264 -10.033 -2.542 1.00 0.00 H new ATOM 0 HA GLN A 89 11.145 -9.200 -0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.447 -11.090 -1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.780 -11.524 -1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.125 -10.941 -4.226 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.808 -10.597 -3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.326 -13.120 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.443 -14.486 -4.136 1.00 0.00 H new ATOM 1339 N ASN A 90 12.083 -8.329 -3.900 1.00 0.00 N ATOM 1340 CA ASN A 90 12.994 -7.466 -4.644 1.00 0.00 C ATOM 1341 C ASN A 90 13.163 -6.121 -3.945 1.00 0.00 C ATOM 1342 O ASN A 90 14.272 -5.738 -3.573 1.00 0.00 O ATOM 1343 CB ASN A 90 12.478 -7.253 -6.069 1.00 0.00 C ATOM 1344 CG ASN A 90 12.284 -8.558 -6.815 1.00 0.00 C ATOM 1345 OD1 ASN A 90 11.929 -9.578 -6.223 1.00 0.00 O ATOM 1346 ND2 ASN A 90 12.516 -8.533 -8.122 1.00 0.00 N ATOM 0 H ASN A 90 11.375 -8.788 -4.473 1.00 0.00 H new ATOM 0 HA ASN A 90 13.966 -7.957 -4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.531 -6.714 -6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 90 13.181 -6.626 -6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 90 12.402 -9.381 -8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.809 -7.665 -8.572 1.00 0.00 H new ATOM 1353 N ILE A 91 12.055 -5.408 -3.770 1.00 0.00 N ATOM 1354 CA ILE A 91 12.080 -4.107 -3.114 1.00 0.00 C ATOM 1355 C ILE A 91 11.882 -4.246 -1.609 1.00 0.00 C ATOM 1356 O ILE A 91 10.991 -4.963 -1.153 1.00 0.00 O ATOM 1357 CB ILE A 91 10.995 -3.171 -3.679 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.532 -2.402 -4.887 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.513 -2.209 -2.603 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.579 -1.347 -5.405 1.00 0.00 C ATOM 0 H ILE A 91 11.129 -5.710 -4.073 1.00 0.00 H new ATOM 0 HA ILE A 91 13.061 -3.674 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 91 10.148 -3.775 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.474 -1.927 -4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.751 -3.108 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.747 -1.554 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.095 -2.774 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.351 -1.608 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.026 -0.842 -6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.644 -1.819 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.379 -0.619 -4.618 1.00 0.00 H new ATOM 1372 N SER A 92 12.719 -3.554 -0.841 1.00 0.00 N ATOM 1373 CA SER A 92 12.637 -3.602 0.614 1.00 0.00 C ATOM 1374 C SER A 92 11.712 -2.510 1.142 1.00 0.00 C ATOM 1375 O SER A 92 11.097 -1.773 0.370 1.00 0.00 O ATOM 1376 CB SER A 92 14.030 -3.447 1.229 1.00 0.00 C ATOM 1377 OG SER A 92 14.750 -4.667 1.174 1.00 0.00 O ATOM 0 H SER A 92 13.461 -2.954 -1.202 1.00 0.00 H new ATOM 0 HA SER A 92 12.227 -4.571 0.899 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.581 -2.671 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.939 -3.121 2.265 1.00 0.00 H new ATOM 0 HG SER A 92 15.637 -4.542 1.571 1.00 0.00 H new ATOM 1383 N HIS A 93 11.616 -2.413 2.465 1.00 0.00 N ATOM 1384 CA HIS A 93 10.766 -1.411 3.098 1.00 0.00 C ATOM 1385 C HIS A 93 11.257 -0.002 2.780 1.00 0.00 C ATOM 1386 O HIS A 93 10.459 0.902 2.536 1.00 0.00 O ATOM 1387 CB HIS A 93 10.734 -1.623 4.612 1.00 0.00 C ATOM 1388 CG HIS A 93 11.801 -0.871 5.345 1.00 0.00 C ATOM 1389 ND1 HIS A 93 12.942 -1.470 5.836 1.00 0.00 N ATOM 1390 CD2 HIS A 93 11.898 0.440 5.668 1.00 0.00 C ATOM 1391 CE1 HIS A 93 13.693 -0.561 6.431 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.083 0.607 6.342 1.00 0.00 N ATOM 0 H HIS A 93 12.116 -3.016 3.118 1.00 0.00 H new ATOM 0 HA HIS A 93 9.757 -1.523 2.701 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.759 -1.318 4.993 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.840 -2.687 4.824 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.178 1.211 5.438 1.00 0.00 H new ATOM 0 HE1 HIS A 93 14.644 -0.742 6.909 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.435 1.489 6.713 1.00 0.00 H new ATOM 1401 N GLN A 94 12.574 0.176 2.785 1.00 0.00 N ATOM 1402 CA GLN A 94 13.170 1.475 2.499 1.00 0.00 C ATOM 1403 C GLN A 94 12.775 1.961 1.108 1.00 0.00 C ATOM 1404 O GLN A 94 12.163 3.019 0.962 1.00 0.00 O ATOM 1405 CB GLN A 94 14.694 1.397 2.610 1.00 0.00 C ATOM 1406 CG GLN A 94 15.179 0.836 3.937 1.00 0.00 C ATOM 1407 CD GLN A 94 16.620 0.369 3.881 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.413 0.859 3.077 1.00 0.00 O ATOM 1409 NE2 GLN A 94 16.967 -0.584 4.739 1.00 0.00 N ATOM 0 H GLN A 94 13.248 -0.563 2.984 1.00 0.00 H new ATOM 0 HA GLN A 94 12.795 2.188 3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.078 0.776 1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.112 2.394 2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 94 15.078 1.599 4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.542 0.001 4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.277 -0.962 5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 94 17.924 -0.938 4.749 1.00 0.00 H new ATOM 1418 N GLN A 95 13.129 1.182 0.091 1.00 0.00 N ATOM 1419 CA GLN A 95 12.811 1.534 -1.287 1.00 0.00 C ATOM 1420 C GLN A 95 11.362 1.996 -1.411 1.00 0.00 C ATOM 1421 O GLN A 95 11.075 3.001 -2.059 1.00 0.00 O ATOM 1422 CB GLN A 95 13.059 0.340 -2.211 1.00 0.00 C ATOM 1423 CG GLN A 95 14.477 0.276 -2.755 1.00 0.00 C ATOM 1424 CD GLN A 95 14.861 -1.115 -3.218 1.00 0.00 C ATOM 1425 OE1 GLN A 95 14.767 -1.435 -4.404 1.00 0.00 O ATOM 1426 NE2 GLN A 95 15.299 -1.951 -2.284 1.00 0.00 N ATOM 0 H GLN A 95 13.636 0.303 0.196 1.00 0.00 H new ATOM 0 HA GLN A 95 13.462 2.356 -1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.846 -0.580 -1.667 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.360 0.386 -3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.574 0.972 -3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.174 0.603 -1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.361 -1.644 -1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.574 -2.900 -2.537 1.00 0.00 H new ATOM 1435 N ALA A 96 10.455 1.254 -0.785 1.00 0.00 N ATOM 1436 CA ALA A 96 9.036 1.588 -0.824 1.00 0.00 C ATOM 1437 C ALA A 96 8.803 3.040 -0.419 1.00 0.00 C ATOM 1438 O ALA A 96 8.114 3.785 -1.115 1.00 0.00 O ATOM 1439 CB ALA A 96 8.248 0.652 0.080 1.00 0.00 C ATOM 0 H ALA A 96 10.677 0.418 -0.245 1.00 0.00 H new ATOM 0 HA ALA A 96 8.686 1.464 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.190 0.913 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.381 -0.376 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.608 0.747 1.105 1.00 0.00 H new ATOM 1445 N ILE A 97 9.380 3.433 0.711 1.00 0.00 N ATOM 1446 CA ILE A 97 9.235 4.796 1.209 1.00 0.00 C ATOM 1447 C ILE A 97 9.758 5.809 0.196 1.00 0.00 C ATOM 1448 O ILE A 97 9.116 6.825 -0.069 1.00 0.00 O ATOM 1449 CB ILE A 97 9.979 4.990 2.543 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.580 3.898 3.538 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.686 6.369 3.117 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.186 4.082 4.912 1.00 0.00 C ATOM 0 H ILE A 97 9.952 2.827 1.299 1.00 0.00 H new ATOM 0 HA ILE A 97 8.170 4.962 1.369 1.00 0.00 H new ATOM 0 HB ILE A 97 11.051 4.914 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.494 3.879 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.884 2.929 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.219 6.491 4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.014 7.133 2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.615 6.471 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 97 9.860 3.272 5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.273 4.071 4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 97 9.862 5.036 5.328 1.00 0.00 H new ATOM 1464 N ALA A 98 10.927 5.524 -0.368 1.00 0.00 N ATOM 1465 CA ALA A 98 11.534 6.409 -1.355 1.00 0.00 C ATOM 1466 C ALA A 98 10.554 6.736 -2.476 1.00 0.00 C ATOM 1467 O ALA A 98 10.352 7.902 -2.817 1.00 0.00 O ATOM 1468 CB ALA A 98 12.797 5.778 -1.923 1.00 0.00 C ATOM 0 H ALA A 98 11.472 4.688 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 98 11.799 7.341 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.240 6.449 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.510 5.602 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.547 4.831 -2.400 1.00 0.00 H new ATOM 1474 N LEU A 99 9.947 5.701 -3.046 1.00 0.00 N ATOM 1475 CA LEU A 99 8.988 5.878 -4.130 1.00 0.00 C ATOM 1476 C LEU A 99 7.955 6.943 -3.775 1.00 0.00 C ATOM 1477 O LEU A 99 7.520 7.713 -4.632 1.00 0.00 O ATOM 1478 CB LEU A 99 8.286 4.554 -4.439 1.00 0.00 C ATOM 1479 CG LEU A 99 9.195 3.388 -4.829 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.383 2.115 -5.007 1.00 0.00 C ATOM 1481 CD2 LEU A 99 9.966 3.714 -6.100 1.00 0.00 C ATOM 0 H LEU A 99 10.102 4.730 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 99 9.534 6.207 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.707 4.260 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.576 4.722 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 99 9.913 3.227 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.047 1.296 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.878 1.872 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.642 2.263 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.608 2.873 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.265 3.903 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.579 4.601 -5.937 1.00 0.00 H new ATOM 1493 N LEU A 100 7.568 6.983 -2.504 1.00 0.00 N ATOM 1494 CA LEU A 100 6.587 7.956 -2.034 1.00 0.00 C ATOM 1495 C LEU A 100 7.193 9.354 -1.974 1.00 0.00 C ATOM 1496 O LEU A 100 6.709 10.278 -2.628 1.00 0.00 O ATOM 1497 CB LEU A 100 6.065 7.555 -0.653 1.00 0.00 C ATOM 1498 CG LEU A 100 5.499 6.139 -0.535 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.356 5.742 0.926 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.160 6.038 -1.250 1.00 0.00 C ATOM 0 H LEU A 100 7.918 6.354 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 100 5.757 7.970 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.878 7.661 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.288 8.261 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 100 6.195 5.449 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.952 4.732 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.333 5.774 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.681 6.436 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.773 5.024 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.455 6.739 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.292 6.279 -2.305 1.00 0.00 H new ATOM 1512 N GLN A 101 8.255 9.501 -1.188 1.00 0.00 N ATOM 1513 CA GLN A 101 8.927 10.787 -1.046 1.00 0.00 C ATOM 1514 C GLN A 101 9.567 11.216 -2.362 1.00 0.00 C ATOM 1515 O GLN A 101 9.950 12.374 -2.528 1.00 0.00 O ATOM 1516 CB GLN A 101 9.991 10.711 0.051 1.00 0.00 C ATOM 1517 CG GLN A 101 9.444 10.276 1.401 1.00 0.00 C ATOM 1518 CD GLN A 101 10.333 10.697 2.554 1.00 0.00 C ATOM 1519 OE1 GLN A 101 11.097 11.657 2.446 1.00 0.00 O ATOM 1520 NE2 GLN A 101 10.239 9.979 3.667 1.00 0.00 N ATOM 0 H GLN A 101 8.668 8.746 -0.640 1.00 0.00 H new ATOM 0 HA GLN A 101 8.180 11.530 -0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.770 10.014 -0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.462 11.688 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.450 10.701 1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.332 9.192 1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.592 9.191 3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.813 10.215 4.476 1.00 0.00 H new ATOM 1529 N GLN A 102 9.678 10.275 -3.294 1.00 0.00 N ATOM 1530 CA GLN A 102 10.272 10.557 -4.596 1.00 0.00 C ATOM 1531 C GLN A 102 9.238 10.416 -5.708 1.00 0.00 C ATOM 1532 O GLN A 102 9.491 9.774 -6.728 1.00 0.00 O ATOM 1533 CB GLN A 102 11.450 9.617 -4.857 1.00 0.00 C ATOM 1534 CG GLN A 102 12.565 9.740 -3.830 1.00 0.00 C ATOM 1535 CD GLN A 102 13.876 9.156 -4.320 1.00 0.00 C ATOM 1536 OE1 GLN A 102 14.818 9.888 -4.626 1.00 0.00 O ATOM 1537 NE2 GLN A 102 13.943 7.832 -4.396 1.00 0.00 N ATOM 0 H GLN A 102 9.365 9.312 -3.172 1.00 0.00 H new ATOM 0 HA GLN A 102 10.632 11.586 -4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.088 8.589 -4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.855 9.822 -5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.710 10.791 -3.581 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.266 9.233 -2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.138 7.265 -4.132 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.800 7.382 -4.718 1.00 0.00 H new ATOM 1546 N THR A 103 8.072 11.021 -5.505 1.00 0.00 N ATOM 1547 CA THR A 103 6.999 10.962 -6.490 1.00 0.00 C ATOM 1548 C THR A 103 6.067 12.162 -6.360 1.00 0.00 C ATOM 1549 O THR A 103 5.302 12.267 -5.401 1.00 0.00 O ATOM 1550 CB THR A 103 6.175 9.669 -6.346 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.890 8.567 -6.917 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.822 9.810 -7.028 1.00 0.00 C ATOM 0 H THR A 103 7.847 11.558 -4.667 1.00 0.00 H new ATOM 0 HA THR A 103 7.471 10.976 -7.473 1.00 0.00 H new ATOM 0 HB THR A 103 6.011 9.485 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.558 8.243 -6.277 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.258 8.884 -6.913 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.269 10.631 -6.572 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.969 10.016 -8.088 1.00 0.00 H new ATOM 1560 N THR A 104 6.135 13.066 -7.332 1.00 0.00 N ATOM 1561 CA THR A 104 5.298 14.259 -7.327 1.00 0.00 C ATOM 1562 C THR A 104 4.212 14.173 -8.393 1.00 0.00 C ATOM 1563 O THR A 104 4.265 13.323 -9.281 1.00 0.00 O ATOM 1564 CB THR A 104 6.132 15.532 -7.560 1.00 0.00 C ATOM 1565 OG1 THR A 104 7.235 15.243 -8.426 1.00 0.00 O ATOM 1566 CG2 THR A 104 6.648 16.090 -6.243 1.00 0.00 C ATOM 0 H THR A 104 6.762 12.994 -8.133 1.00 0.00 H new ATOM 0 HA THR A 104 4.833 14.315 -6.343 1.00 0.00 H new ATOM 0 HB THR A 104 5.490 16.280 -8.026 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.760 16.058 -8.571 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.234 16.989 -6.433 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.805 16.336 -5.597 1.00 0.00 H new ATOM 0 HG23 THR A 104 7.275 15.345 -5.753 1.00 0.00 H new ATOM 1574 N GLY A 105 3.227 15.062 -8.301 1.00 0.00 N ATOM 1575 CA GLY A 105 2.142 15.070 -9.266 1.00 0.00 C ATOM 1576 C GLY A 105 1.078 14.037 -8.950 1.00 0.00 C ATOM 1577 O GLY A 105 0.015 14.371 -8.427 1.00 0.00 O ATOM 0 H GLY A 105 3.161 15.776 -7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.687 16.060 -9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.544 14.881 -10.261 1.00 0.00 H new ATOM 1581 N SER A 106 1.364 12.779 -9.270 1.00 0.00 N ATOM 1582 CA SER A 106 0.420 11.695 -9.022 1.00 0.00 C ATOM 1583 C SER A 106 1.074 10.580 -8.211 1.00 0.00 C ATOM 1584 O SER A 106 2.250 10.265 -8.402 1.00 0.00 O ATOM 1585 CB SER A 106 -0.106 11.136 -10.346 1.00 0.00 C ATOM 1586 OG SER A 106 0.960 10.748 -11.196 1.00 0.00 O ATOM 0 H SER A 106 2.241 12.485 -9.701 1.00 0.00 H new ATOM 0 HA SER A 106 -0.415 12.097 -8.448 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.751 10.279 -10.152 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.717 11.888 -10.845 1.00 0.00 H new ATOM 0 HG SER A 106 0.597 10.393 -12.034 1.00 0.00 H new ATOM 1592 N LEU A 107 0.305 9.988 -7.305 1.00 0.00 N ATOM 1593 CA LEU A 107 0.808 8.908 -6.463 1.00 0.00 C ATOM 1594 C LEU A 107 -0.236 7.806 -6.308 1.00 0.00 C ATOM 1595 O LEU A 107 -1.228 7.973 -5.598 1.00 0.00 O ATOM 1596 CB LEU A 107 1.203 9.448 -5.088 1.00 0.00 C ATOM 1597 CG LEU A 107 1.725 8.418 -4.086 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.005 7.777 -4.598 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.956 9.064 -2.728 1.00 0.00 C ATOM 0 H LEU A 107 -0.669 10.237 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 107 1.688 8.484 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.969 10.211 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.335 9.943 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 107 0.973 7.638 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.362 7.047 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.808 7.279 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.764 8.546 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.327 8.316 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.689 9.865 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.017 9.475 -2.356 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.006 6.681 -6.977 1.00 0.00 N ATOM 1612 CA ARG A 108 -0.926 5.552 -6.913 1.00 0.00 C ATOM 1613 C ARG A 108 -0.411 4.486 -5.950 1.00 0.00 C ATOM 1614 O ARG A 108 0.760 4.108 -5.994 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.122 4.947 -8.304 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.362 4.077 -8.420 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.177 2.979 -9.456 1.00 0.00 C ATOM 1618 NE ARG A 108 -2.511 3.435 -10.803 1.00 0.00 N ATOM 1619 CZ ARG A 108 -2.471 2.651 -11.875 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -2.116 1.379 -11.758 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -2.789 3.140 -13.067 1.00 0.00 N ATOM 0 H ARG A 108 0.810 6.527 -7.570 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.885 5.917 -6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.184 5.752 -9.036 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.245 4.351 -8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.587 3.631 -7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.217 4.695 -8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.144 2.633 -9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.804 2.126 -9.196 1.00 0.00 H new ATOM 0 HE ARG A 108 -2.790 4.408 -10.927 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.873 1.000 -10.843 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -2.086 0.780 -12.583 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.064 4.118 -13.160 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.758 2.538 -13.890 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.294 4.004 -5.082 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.930 2.981 -4.108 1.00 0.00 C ATOM 1637 C LEU A 109 -1.975 1.871 -4.068 1.00 0.00 C ATOM 1638 O LEU A 109 -3.160 2.128 -3.853 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.776 3.603 -2.719 1.00 0.00 C ATOM 1640 CG LEU A 109 0.077 4.870 -2.641 1.00 0.00 C ATOM 1641 CD1 LEU A 109 0.159 5.371 -1.208 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.469 4.610 -3.197 1.00 0.00 C ATOM 0 H LEU A 109 -2.267 4.305 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 109 0.022 2.547 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.769 3.834 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.342 2.856 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.397 5.642 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.770 6.273 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.843 5.597 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.609 4.603 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.062 5.522 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.951 3.823 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.392 4.299 -4.239 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.528 0.637 -4.274 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.424 -0.512 -4.258 1.00 0.00 C ATOM 1656 C ILE A 110 -2.346 -1.252 -2.927 1.00 0.00 C ATOM 1657 O ILE A 110 -1.419 -2.025 -2.687 1.00 0.00 O ATOM 1658 CB ILE A 110 -2.099 -1.496 -5.398 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.191 -0.789 -6.752 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -3.040 -2.690 -5.352 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.379 -1.458 -7.839 1.00 0.00 C ATOM 0 H ILE A 110 -0.551 0.407 -4.454 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.434 -0.126 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.079 -1.858 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.235 -0.749 -7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.853 0.241 -6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.798 -3.376 -6.164 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.929 -3.204 -4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.069 -2.347 -5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.491 -0.903 -8.771 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.328 -1.474 -7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.732 -2.480 -7.980 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.327 -1.009 -2.063 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.372 -1.654 -0.756 1.00 0.00 C ATOM 1675 C VAL A 111 -4.429 -2.752 -0.721 1.00 0.00 C ATOM 1676 O VAL A 111 -5.359 -2.759 -1.528 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.667 -0.636 0.362 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.646 0.491 0.341 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.080 -0.090 0.225 1.00 0.00 C ATOM 0 H VAL A 111 -4.101 -0.370 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.390 -2.095 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.590 -1.145 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.871 1.200 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.648 0.080 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.687 1.001 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.272 0.628 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.187 0.404 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.795 -0.910 0.295 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.281 -3.678 0.220 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.225 -4.780 0.363 1.00 0.00 C ATOM 1691 C ALA A 112 -6.273 -4.471 1.427 1.00 0.00 C ATOM 1692 O ALA A 112 -6.116 -3.537 2.213 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.487 -6.066 0.704 1.00 0.00 C ATOM 0 H ALA A 112 -3.516 -3.687 0.895 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.740 -4.911 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.204 -6.880 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.782 -6.303 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.946 -5.937 1.641 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.342 -5.261 1.445 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.416 -5.070 2.411 1.00 0.00 C ATOM 1701 C ARG A 113 -8.878 -6.408 2.982 1.00 0.00 C ATOM 1702 O ARG A 113 -8.755 -7.446 2.333 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.596 -4.348 1.758 1.00 0.00 C ATOM 1704 CG ARG A 113 -9.195 -3.102 0.984 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.222 -1.865 1.868 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.402 -0.641 1.092 1.00 0.00 N ATOM 1707 CZ ARG A 113 -9.180 0.576 1.575 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -8.770 0.731 2.827 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -9.367 1.641 0.806 1.00 0.00 N ATOM 0 H ARG A 113 -7.487 -6.039 0.801 1.00 0.00 H new ATOM 0 HA ARG A 113 -8.032 -4.459 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.104 -5.037 1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.314 -4.071 2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -8.195 -3.234 0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.871 -2.963 0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.030 -1.956 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.292 -1.803 2.433 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.716 -0.726 0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.625 -0.085 3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.600 1.667 3.196 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.682 1.526 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.196 2.575 1.178 1.00 0.00 H new ATOM 1723 N GLU A 114 -9.409 -6.374 4.201 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.887 -7.584 4.859 1.00 0.00 C ATOM 1725 C GLU A 114 -11.412 -7.648 4.837 1.00 0.00 C ATOM 1726 O GLU A 114 -12.103 -6.715 5.246 1.00 0.00 O ATOM 1727 CB GLU A 114 -9.384 -7.639 6.302 1.00 0.00 C ATOM 1728 CG GLU A 114 -9.942 -8.807 7.098 1.00 0.00 C ATOM 1729 CD GLU A 114 -9.905 -8.564 8.594 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -10.303 -7.462 9.026 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -9.479 -9.476 9.333 1.00 0.00 O ATOM 0 H GLU A 114 -9.519 -5.522 4.752 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.496 -8.443 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.296 -7.701 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.647 -6.709 6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.971 -8.994 6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.371 -9.706 6.865 1.00 0.00 H new ATOM 1738 N PRO A 115 -11.949 -8.776 4.349 1.00 0.00 N ATOM 1739 CA PRO A 115 -13.396 -8.990 4.262 1.00 0.00 C ATOM 1740 C PRO A 115 -14.041 -9.162 5.633 1.00 0.00 C ATOM 1741 O PRO A 115 -13.354 -9.174 6.655 1.00 0.00 O ATOM 1742 CB PRO A 115 -13.516 -10.282 3.450 1.00 0.00 C ATOM 1743 CG PRO A 115 -12.230 -10.998 3.685 1.00 0.00 C ATOM 1744 CD PRO A 115 -11.185 -9.929 3.844 1.00 0.00 C ATOM 0 HA PRO A 115 -13.907 -8.138 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.367 -10.879 3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.664 -10.072 2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.288 -11.623 4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.991 -11.656 2.850 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.405 -10.231 4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.695 -9.702 2.897 1.00 0.00 H new ATOM 1752 N VAL A 116 -15.363 -9.294 5.648 1.00 0.00 N ATOM 1753 CA VAL A 116 -16.100 -9.467 6.895 1.00 0.00 C ATOM 1754 C VAL A 116 -17.223 -10.485 6.733 1.00 0.00 C ATOM 1755 O VAL A 116 -17.765 -10.659 5.641 1.00 0.00 O ATOM 1756 CB VAL A 116 -16.697 -8.133 7.383 1.00 0.00 C ATOM 1757 CG1 VAL A 116 -17.414 -8.324 8.711 1.00 0.00 C ATOM 1758 CG2 VAL A 116 -15.610 -7.075 7.502 1.00 0.00 C ATOM 0 H VAL A 116 -15.946 -9.285 4.811 1.00 0.00 H new ATOM 0 HA VAL A 116 -15.388 -9.831 7.636 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.426 -7.791 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -17.829 -7.372 9.041 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -18.219 -9.048 8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -16.708 -8.689 9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -16.049 -6.139 7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -14.856 -7.407 8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -15.145 -6.920 6.528 1.00 0.00 H new ATOM 1768 N HIS A 117 -17.569 -11.156 7.827 1.00 0.00 N ATOM 1769 CA HIS A 117 -18.629 -12.157 7.807 1.00 0.00 C ATOM 1770 C HIS A 117 -19.729 -11.803 8.804 1.00 0.00 C ATOM 1771 O HIS A 117 -19.526 -10.991 9.707 1.00 0.00 O ATOM 1772 CB HIS A 117 -18.060 -13.540 8.126 1.00 0.00 C ATOM 1773 CG HIS A 117 -18.937 -14.667 7.674 1.00 0.00 C ATOM 1774 ND1 HIS A 117 -18.969 -15.120 6.372 1.00 0.00 N ATOM 1775 CD2 HIS A 117 -19.816 -15.435 8.360 1.00 0.00 C ATOM 1776 CE1 HIS A 117 -19.831 -16.116 6.276 1.00 0.00 C ATOM 1777 NE2 HIS A 117 -20.358 -16.328 7.469 1.00 0.00 N ATOM 0 H HIS A 117 -17.131 -11.024 8.738 1.00 0.00 H new ATOM 0 HA HIS A 117 -19.061 -12.173 6.807 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -17.082 -13.639 7.654 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -17.904 -13.621 9.202 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.048 -15.359 9.412 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -20.065 -16.664 5.375 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -21.054 -17.039 7.692 1.00 0.00 H new ATOM 1786 N THR A 118 -20.895 -12.418 8.634 1.00 0.00 N ATOM 1787 CA THR A 118 -22.027 -12.167 9.517 1.00 0.00 C ATOM 1788 C THR A 118 -21.575 -12.030 10.966 1.00 0.00 C ATOM 1789 O THR A 118 -20.643 -12.706 11.403 1.00 0.00 O ATOM 1790 CB THR A 118 -23.074 -13.293 9.422 1.00 0.00 C ATOM 1791 OG1 THR A 118 -23.434 -13.514 8.054 1.00 0.00 O ATOM 1792 CG2 THR A 118 -24.317 -12.946 10.228 1.00 0.00 C ATOM 0 H THR A 118 -21.080 -13.094 7.893 1.00 0.00 H new ATOM 0 HA THR A 118 -22.480 -11.231 9.191 1.00 0.00 H new ATOM 0 HB THR A 118 -22.635 -14.202 9.833 1.00 0.00 H new ATOM 0 HG1 THR A 118 -24.099 -14.232 8.003 1.00 0.00 H new ATOM 0 HG21 THR A 118 -25.042 -13.756 10.146 1.00 0.00 H new ATOM 0 HG22 THR A 118 -24.045 -12.807 11.274 1.00 0.00 H new ATOM 0 HG23 THR A 118 -24.756 -12.026 9.842 1.00 0.00 H new ATOM 1800 N LYS A 119 -22.240 -11.151 11.708 1.00 0.00 N ATOM 1801 CA LYS A 119 -21.908 -10.927 13.110 1.00 0.00 C ATOM 1802 C LYS A 119 -23.091 -10.320 13.859 1.00 0.00 C ATOM 1803 O LYS A 119 -24.141 -10.059 13.272 1.00 0.00 O ATOM 1804 CB LYS A 119 -20.691 -10.006 13.226 1.00 0.00 C ATOM 1805 CG LYS A 119 -19.365 -10.747 13.223 1.00 0.00 C ATOM 1806 CD LYS A 119 -18.283 -9.956 13.939 1.00 0.00 C ATOM 1807 CE LYS A 119 -18.347 -10.161 15.444 1.00 0.00 C ATOM 1808 NZ LYS A 119 -17.005 -10.041 16.078 1.00 0.00 N ATOM 0 H LYS A 119 -23.012 -10.582 11.362 1.00 0.00 H new ATOM 0 HA LYS A 119 -21.671 -11.891 13.560 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -20.703 -9.296 12.399 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -20.771 -9.426 14.145 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -19.488 -11.717 13.706 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -19.057 -10.939 12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.304 -10.261 13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -18.394 -8.896 13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -19.023 -9.426 15.882 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.763 -11.145 15.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.091 -10.187 17.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.367 -10.759 15.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.618 -9.093 15.895 1.00 0.00 H new ATOM 1822 N SER A 120 -22.912 -10.099 15.157 1.00 0.00 N ATOM 1823 CA SER A 120 -23.966 -9.525 15.986 1.00 0.00 C ATOM 1824 C SER A 120 -23.483 -8.252 16.674 1.00 0.00 C ATOM 1825 O SER A 120 -22.356 -7.805 16.459 1.00 0.00 O ATOM 1826 CB SER A 120 -24.429 -10.540 17.033 1.00 0.00 C ATOM 1827 OG SER A 120 -23.385 -10.851 17.939 1.00 0.00 O ATOM 0 H SER A 120 -22.048 -10.308 15.657 1.00 0.00 H new ATOM 0 HA SER A 120 -24.806 -9.271 15.339 1.00 0.00 H new ATOM 0 HB2 SER A 120 -25.282 -10.139 17.580 1.00 0.00 H new ATOM 0 HB3 SER A 120 -24.767 -11.450 16.537 1.00 0.00 H new ATOM 0 HG SER A 120 -23.707 -11.500 18.599 1.00 0.00 H new ATOM 1833 N SER A 121 -24.345 -7.672 17.504 1.00 0.00 N ATOM 1834 CA SER A 121 -24.009 -6.448 18.222 1.00 0.00 C ATOM 1835 C SER A 121 -25.009 -6.184 19.343 1.00 0.00 C ATOM 1836 O SER A 121 -26.026 -6.868 19.459 1.00 0.00 O ATOM 1837 CB SER A 121 -23.979 -5.259 17.259 1.00 0.00 C ATOM 1838 OG SER A 121 -25.235 -5.084 16.626 1.00 0.00 O ATOM 0 H SER A 121 -25.281 -8.030 17.696 1.00 0.00 H new ATOM 0 HA SER A 121 -23.020 -6.574 18.663 1.00 0.00 H new ATOM 0 HB2 SER A 121 -23.713 -4.353 17.803 1.00 0.00 H new ATOM 0 HB3 SER A 121 -23.207 -5.416 16.506 1.00 0.00 H new ATOM 0 HG SER A 121 -25.191 -4.317 16.017 1.00 0.00 H new ATOM 1844 N THR A 122 -24.713 -5.185 20.169 1.00 0.00 N ATOM 1845 CA THR A 122 -25.584 -4.830 21.282 1.00 0.00 C ATOM 1846 C THR A 122 -25.499 -3.340 21.593 1.00 0.00 C ATOM 1847 O THR A 122 -24.636 -2.635 21.069 1.00 0.00 O ATOM 1848 CB THR A 122 -25.228 -5.628 22.551 1.00 0.00 C ATOM 1849 OG1 THR A 122 -26.216 -5.406 23.563 1.00 0.00 O ATOM 1850 CG2 THR A 122 -23.857 -5.227 23.076 1.00 0.00 C ATOM 0 H THR A 122 -23.876 -4.607 20.088 1.00 0.00 H new ATOM 0 HA THR A 122 -26.601 -5.078 20.979 1.00 0.00 H new ATOM 0 HB THR A 122 -25.205 -6.687 22.293 1.00 0.00 H new ATOM 0 HG1 THR A 122 -25.983 -5.918 24.365 1.00 0.00 H new ATOM 0 HG21 THR A 122 -23.628 -5.804 23.972 1.00 0.00 H new ATOM 0 HG22 THR A 122 -23.103 -5.425 22.314 1.00 0.00 H new ATOM 0 HG23 THR A 122 -23.857 -4.164 23.318 1.00 0.00 H new ATOM 1858 N SER A 123 -26.399 -2.866 22.449 1.00 0.00 N ATOM 1859 CA SER A 123 -26.427 -1.458 22.827 1.00 0.00 C ATOM 1860 C SER A 123 -26.748 -1.301 24.310 1.00 0.00 C ATOM 1861 O SER A 123 -26.948 -2.284 25.022 1.00 0.00 O ATOM 1862 CB SER A 123 -27.460 -0.704 21.987 1.00 0.00 C ATOM 1863 OG SER A 123 -27.028 -0.574 20.644 1.00 0.00 O ATOM 0 H SER A 123 -27.118 -3.436 22.894 1.00 0.00 H new ATOM 0 HA SER A 123 -25.439 -1.036 22.640 1.00 0.00 H new ATOM 0 HB2 SER A 123 -28.413 -1.232 22.016 1.00 0.00 H new ATOM 0 HB3 SER A 123 -27.630 0.284 22.415 1.00 0.00 H new ATOM 0 HG SER A 123 -27.706 -0.090 20.128 1.00 0.00 H new ATOM 1869 N GLY A 124 -26.795 -0.054 24.770 1.00 0.00 N ATOM 1870 CA GLY A 124 -27.091 0.211 26.166 1.00 0.00 C ATOM 1871 C GLY A 124 -27.294 1.687 26.445 1.00 0.00 C ATOM 1872 O GLY A 124 -28.386 2.229 26.275 1.00 0.00 O ATOM 0 H GLY A 124 -26.633 0.777 24.201 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -27.988 -0.337 26.454 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -26.276 -0.164 26.785 1.00 0.00 H new ATOM 1876 N PRO A 125 -26.222 2.363 26.886 1.00 0.00 N ATOM 1877 CA PRO A 125 -26.262 3.794 27.200 1.00 0.00 C ATOM 1878 C PRO A 125 -26.415 4.657 25.952 1.00 0.00 C ATOM 1879 O PRO A 125 -25.444 4.916 25.242 1.00 0.00 O ATOM 1880 CB PRO A 125 -24.907 4.050 27.864 1.00 0.00 C ATOM 1881 CG PRO A 125 -24.014 2.986 27.325 1.00 0.00 C ATOM 1882 CD PRO A 125 -24.888 1.781 27.111 1.00 0.00 C ATOM 0 HA PRO A 125 -27.115 4.049 27.829 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -24.529 5.044 27.623 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -24.981 3.992 28.950 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -23.550 3.302 26.391 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -23.207 2.764 28.023 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -24.557 1.191 26.256 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -24.879 1.119 27.977 1.00 0.00 H new ATOM 1890 N SER A 126 -27.641 5.101 25.692 1.00 0.00 N ATOM 1891 CA SER A 126 -27.921 5.933 24.527 1.00 0.00 C ATOM 1892 C SER A 126 -27.077 7.203 24.551 1.00 0.00 C ATOM 1893 O SER A 126 -26.481 7.586 23.544 1.00 0.00 O ATOM 1894 CB SER A 126 -29.407 6.295 24.478 1.00 0.00 C ATOM 1895 OG SER A 126 -29.732 7.249 25.474 1.00 0.00 O ATOM 0 H SER A 126 -28.455 4.899 26.272 1.00 0.00 H new ATOM 0 HA SER A 126 -27.663 5.364 23.634 1.00 0.00 H new ATOM 0 HB2 SER A 126 -29.655 6.693 23.494 1.00 0.00 H new ATOM 0 HB3 SER A 126 -30.008 5.397 24.620 1.00 0.00 H new ATOM 0 HG SER A 126 -30.686 7.465 25.421 1.00 0.00 H new ATOM 1901 N SER A 127 -27.031 7.853 25.710 1.00 0.00 N ATOM 1902 CA SER A 127 -26.263 9.084 25.866 1.00 0.00 C ATOM 1903 C SER A 127 -26.087 9.430 27.341 1.00 0.00 C ATOM 1904 O SER A 127 -26.989 9.222 28.151 1.00 0.00 O ATOM 1905 CB SER A 127 -26.955 10.238 25.138 1.00 0.00 C ATOM 1906 OG SER A 127 -28.125 10.646 25.826 1.00 0.00 O ATOM 0 H SER A 127 -27.516 7.548 26.554 1.00 0.00 H new ATOM 0 HA SER A 127 -25.278 8.927 25.427 1.00 0.00 H new ATOM 0 HB2 SER A 127 -26.269 11.080 25.050 1.00 0.00 H new ATOM 0 HB3 SER A 127 -27.214 9.930 24.125 1.00 0.00 H new ATOM 0 HG SER A 127 -28.548 11.386 25.342 1.00 0.00 H new ATOM 1912 N GLY A 128 -24.917 9.962 27.682 1.00 0.00 N ATOM 1913 CA GLY A 128 -24.642 10.330 29.059 1.00 0.00 C ATOM 1914 C GLY A 128 -23.219 10.010 29.472 1.00 0.00 C ATOM 1915 O GLY A 128 -22.286 10.177 28.687 1.00 0.00 O ATOM 0 H GLY A 128 -24.155 10.145 27.029 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -24.824 11.397 29.190 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -25.335 9.806 29.717 1.00 0.00 H new TER 1919 GLY A 128