USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 702 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 101 SER OG : rot -14:sc= -0.176 USER MOD Set 1.2: A 112 LYS NZ :NH3+ -160:sc= -0.0238 (180deg=-0.506) USER MOD Set 2.1: A 88 ASN :FLIP amide:sc= -1.3 F(o=-7.8!,f=-1.4) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= -0.112 USER MOD Set 3.1: A 60 THR OG1 : rot 40:sc= -3.02! USER MOD Set 3.2: A 67 ASN : amide:sc= -2.65 K(o=-5.7,f=-12!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -2.59! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0147 F(o=-0.67,f=-0.015) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -146:sc= -1.22 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -52:sc= 1.21 USER MOD Single : A 58 THR OG1 : rot 36:sc= 0.148 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.06 F(o=-1.7,f=-0.06) USER MOD Single : A 68 LYS NZ :NH3+ -107:sc= 0.0719 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -7.12! C(o=-7.1!,f=-12!) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= -0.351 (180deg=-0.351) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 160:sc= -0.336 USER MOD Single : A 86 THR OG1 : rot -150:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.3) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 150:sc= -0.178 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.121 -9.350 -14.580 1.00 0.00 N ATOM 2 CA LEU A 17 2.108 -8.596 -13.768 1.00 0.00 C ATOM 3 C LEU A 17 3.488 -9.203 -13.950 1.00 0.00 C ATOM 4 O LEU A 17 4.134 -9.610 -13.005 1.00 0.00 O ATOM 5 CB LEU A 17 1.708 -8.665 -12.274 1.00 0.00 C ATOM 6 CG LEU A 17 2.159 -7.389 -11.527 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.326 -7.241 -10.258 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.640 -7.510 -11.143 1.00 0.00 C ATOM 0 HA LEU A 17 2.124 -7.556 -14.093 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.628 -8.780 -12.187 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.161 -9.542 -11.812 1.00 0.00 H new ATOM 0 HG LEU A 17 2.022 -6.521 -12.171 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.635 -6.344 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.272 -7.160 -10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.475 -8.113 -9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.954 -6.609 -10.617 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.778 -8.375 -10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.241 -7.632 -12.044 1.00 0.00 H new ATOM 22 N GLN A 18 3.915 -9.251 -15.170 1.00 0.00 N ATOM 23 CA GLN A 18 5.245 -9.824 -15.445 1.00 0.00 C ATOM 24 C GLN A 18 6.304 -8.898 -14.911 1.00 0.00 C ATOM 25 O GLN A 18 7.346 -9.325 -14.454 1.00 0.00 O ATOM 26 CB GLN A 18 5.416 -9.962 -16.965 1.00 0.00 C ATOM 27 CG GLN A 18 4.243 -10.763 -17.533 1.00 0.00 C ATOM 28 CD GLN A 18 4.325 -10.765 -19.057 1.00 0.00 C ATOM 29 OE1 GLN A 18 5.192 -11.379 -19.643 1.00 0.00 O ATOM 30 NE2 GLN A 18 3.442 -10.087 -19.737 1.00 0.00 N ATOM 0 H GLN A 18 3.401 -8.919 -15.986 1.00 0.00 H new ATOM 0 HA GLN A 18 5.338 -10.799 -14.967 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.458 -8.977 -17.429 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.357 -10.462 -17.193 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.268 -11.785 -17.155 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.298 -10.326 -17.209 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.711 -9.569 -19.250 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.483 -10.075 -20.756 1.00 0.00 H new ATOM 39 N ASP A 19 6.010 -7.643 -14.979 1.00 0.00 N ATOM 40 CA ASP A 19 6.963 -6.644 -14.488 1.00 0.00 C ATOM 41 C ASP A 19 6.227 -5.412 -13.994 1.00 0.00 C ATOM 42 O ASP A 19 6.738 -4.653 -13.195 1.00 0.00 O ATOM 43 CB ASP A 19 7.872 -6.251 -15.644 1.00 0.00 C ATOM 44 CG ASP A 19 9.324 -6.584 -15.290 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.560 -7.751 -15.021 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.113 -5.655 -15.309 1.00 0.00 O ATOM 0 H ASP A 19 5.141 -7.267 -15.358 1.00 0.00 H new ATOM 0 HA ASP A 19 7.540 -7.061 -13.663 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.577 -6.782 -16.549 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.773 -5.186 -15.852 1.00 0.00 H new ATOM 51 N ALA A 20 5.036 -5.240 -14.484 1.00 0.00 N ATOM 52 CA ALA A 20 4.232 -4.065 -14.063 1.00 0.00 C ATOM 53 C ALA A 20 4.944 -2.753 -14.377 1.00 0.00 C ATOM 54 O ALA A 20 5.814 -2.696 -15.225 1.00 0.00 O ATOM 55 CB ALA A 20 4.035 -4.148 -12.551 1.00 0.00 C ATOM 0 H ALA A 20 4.585 -5.860 -15.156 1.00 0.00 H new ATOM 0 HA ALA A 20 3.285 -4.080 -14.602 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.446 -3.295 -12.213 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.512 -5.071 -12.302 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.006 -4.137 -12.056 1.00 0.00 H new ATOM 61 N GLU A 21 4.550 -1.717 -13.682 1.00 0.00 N ATOM 62 CA GLU A 21 5.178 -0.393 -13.908 1.00 0.00 C ATOM 63 C GLU A 21 5.215 0.404 -12.609 1.00 0.00 C ATOM 64 O GLU A 21 6.236 0.936 -12.234 1.00 0.00 O ATOM 65 CB GLU A 21 4.333 0.379 -14.936 1.00 0.00 C ATOM 66 CG GLU A 21 4.622 1.877 -14.797 1.00 0.00 C ATOM 67 CD GLU A 21 4.252 2.588 -16.101 1.00 0.00 C ATOM 68 OE1 GLU A 21 4.930 2.314 -17.079 1.00 0.00 O ATOM 69 OE2 GLU A 21 3.315 3.368 -16.046 1.00 0.00 O ATOM 0 H GLU A 21 3.820 -1.736 -12.969 1.00 0.00 H new ATOM 0 HA GLU A 21 6.197 -0.534 -14.269 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.569 0.042 -15.946 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.273 0.184 -14.774 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.050 2.294 -13.968 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.676 2.036 -14.569 1.00 0.00 H new ATOM 76 N TRP A 22 4.097 0.463 -11.945 1.00 0.00 N ATOM 77 CA TRP A 22 4.040 1.221 -10.665 1.00 0.00 C ATOM 78 C TRP A 22 4.885 0.541 -9.595 1.00 0.00 C ATOM 79 O TRP A 22 5.340 1.168 -8.659 1.00 0.00 O ATOM 80 CB TRP A 22 2.586 1.261 -10.193 1.00 0.00 C ATOM 81 CG TRP A 22 1.681 0.739 -11.324 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.237 1.489 -12.318 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.304 -0.513 -11.477 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.567 0.628 -13.102 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.563 -0.670 -12.637 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.541 -1.609 -10.674 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.074 -1.910 -12.979 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.049 -2.838 -11.018 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.321 -2.990 -12.164 1.00 0.00 C ATOM 0 H TRP A 22 3.223 0.022 -12.231 1.00 0.00 H new ATOM 0 HA TRP A 22 4.427 2.227 -10.829 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.463 0.650 -9.299 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.305 2.279 -9.924 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.380 2.549 -12.466 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.102 0.910 -13.965 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.118 -1.496 -9.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.502 -2.035 -13.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.237 -3.690 -10.382 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.063 -3.964 -12.431 1.00 0.00 H new ATOM 100 N TYR A 23 5.072 -0.732 -9.764 1.00 0.00 N ATOM 101 CA TYR A 23 5.882 -1.505 -8.784 1.00 0.00 C ATOM 102 C TYR A 23 7.344 -1.503 -9.200 1.00 0.00 C ATOM 103 O TYR A 23 7.665 -1.727 -10.350 1.00 0.00 O ATOM 104 CB TYR A 23 5.347 -2.951 -8.774 1.00 0.00 C ATOM 105 CG TYR A 23 4.034 -3.061 -7.940 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.278 -1.934 -7.578 1.00 0.00 C ATOM 107 CD2 TYR A 23 3.573 -4.307 -7.553 1.00 0.00 C ATOM 108 CE1 TYR A 23 2.115 -2.077 -6.858 1.00 0.00 C ATOM 109 CE2 TYR A 23 2.402 -4.435 -6.831 1.00 0.00 C ATOM 110 CZ TYR A 23 1.667 -3.327 -6.480 1.00 0.00 C ATOM 111 OH TYR A 23 0.499 -3.465 -5.761 1.00 0.00 O ATOM 0 H TYR A 23 4.698 -1.276 -10.542 1.00 0.00 H new ATOM 0 HA TYR A 23 5.807 -1.058 -7.793 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.160 -3.279 -9.796 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.102 -3.618 -8.358 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.612 -0.949 -7.867 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.135 -5.190 -7.819 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.545 -1.201 -6.585 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.060 -5.417 -6.539 1.00 0.00 H new ATOM 0 HH TYR A 23 0.335 -4.415 -5.582 1.00 0.00 H new ATOM 121 N TRP A 24 8.205 -1.247 -8.256 1.00 0.00 N ATOM 122 CA TRP A 24 9.648 -1.223 -8.577 1.00 0.00 C ATOM 123 C TRP A 24 10.255 -2.605 -8.413 1.00 0.00 C ATOM 124 O TRP A 24 11.333 -2.876 -8.909 1.00 0.00 O ATOM 125 CB TRP A 24 10.360 -0.274 -7.590 1.00 0.00 C ATOM 126 CG TRP A 24 9.946 1.204 -7.829 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.720 1.608 -8.178 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.748 2.249 -7.664 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.816 2.940 -8.210 1.00 0.00 N ATOM 130 CE2 TRP A 24 10.060 3.428 -7.899 1.00 0.00 C ATOM 131 CE3 TRP A 24 12.092 2.318 -7.305 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.684 4.640 -7.782 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.716 3.545 -7.192 1.00 0.00 C ATOM 134 CH2 TRP A 24 12.013 4.703 -7.430 1.00 0.00 C ATOM 0 H TRP A 24 7.969 -1.055 -7.283 1.00 0.00 H new ATOM 0 HA TRP A 24 9.771 -0.890 -9.608 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.117 -0.561 -6.567 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.440 -0.374 -7.701 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.853 0.999 -8.386 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.029 3.545 -8.446 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.647 1.411 -7.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.132 5.550 -7.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.759 3.595 -6.916 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.504 5.661 -7.341 1.00 0.00 H new ATOM 145 N GLY A 25 9.546 -3.449 -7.719 1.00 0.00 N ATOM 146 CA GLY A 25 10.045 -4.837 -7.490 1.00 0.00 C ATOM 147 C GLY A 25 10.345 -5.030 -6.009 1.00 0.00 C ATOM 148 O GLY A 25 11.337 -5.623 -5.639 1.00 0.00 O ATOM 0 H GLY A 25 8.641 -3.239 -7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.300 -5.562 -7.819 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.944 -5.014 -8.080 1.00 0.00 H new ATOM 152 N ASP A 26 9.471 -4.516 -5.198 1.00 0.00 N ATOM 153 CA ASP A 26 9.653 -4.635 -3.746 1.00 0.00 C ATOM 154 C ASP A 26 10.925 -3.925 -3.290 1.00 0.00 C ATOM 155 O ASP A 26 12.020 -4.395 -3.533 1.00 0.00 O ATOM 156 CB ASP A 26 9.756 -6.115 -3.414 1.00 0.00 C ATOM 157 CG ASP A 26 8.891 -6.912 -4.390 1.00 0.00 C ATOM 158 OD1 ASP A 26 7.846 -6.388 -4.737 1.00 0.00 O ATOM 159 OD2 ASP A 26 9.324 -7.999 -4.734 1.00 0.00 O ATOM 0 H ASP A 26 8.632 -4.015 -5.490 1.00 0.00 H new ATOM 0 HA ASP A 26 8.810 -4.171 -3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.794 -6.443 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.428 -6.294 -2.390 1.00 0.00 H new ATOM 164 N ILE A 27 10.750 -2.795 -2.630 1.00 0.00 N ATOM 165 CA ILE A 27 11.932 -2.023 -2.139 1.00 0.00 C ATOM 166 C ILE A 27 11.768 -1.681 -0.647 1.00 0.00 C ATOM 167 O ILE A 27 11.273 -2.487 0.113 1.00 0.00 O ATOM 168 CB ILE A 27 12.091 -0.706 -2.957 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.831 0.191 -2.869 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.370 -1.046 -4.439 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.582 -0.509 -3.437 1.00 0.00 C ATOM 0 H ILE A 27 9.843 -2.382 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 27 12.822 -2.639 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 27 12.927 -0.153 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.652 0.463 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.007 1.118 -3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.481 -0.124 -5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.287 -1.630 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.539 -1.624 -4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.723 0.157 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.749 -0.758 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.389 -1.422 -2.874 1.00 0.00 H new ATOM 183 N SER A 28 12.182 -0.494 -0.256 1.00 0.00 N ATOM 184 CA SER A 28 12.051 -0.107 1.180 1.00 0.00 C ATOM 185 C SER A 28 11.672 1.369 1.317 1.00 0.00 C ATOM 186 O SER A 28 11.828 2.139 0.390 1.00 0.00 O ATOM 187 CB SER A 28 13.413 -0.335 1.865 1.00 0.00 C ATOM 188 OG SER A 28 14.330 0.412 1.079 1.00 0.00 O ATOM 0 H SER A 28 12.599 0.211 -0.864 1.00 0.00 H new ATOM 0 HA SER A 28 11.269 -0.709 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.401 0.011 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.676 -1.393 1.886 1.00 0.00 H new ATOM 0 HG SER A 28 15.231 0.321 1.453 1.00 0.00 H new ATOM 194 N ARG A 29 11.179 1.737 2.477 1.00 0.00 N ATOM 195 CA ARG A 29 10.787 3.160 2.683 1.00 0.00 C ATOM 196 C ARG A 29 11.889 4.084 2.219 1.00 0.00 C ATOM 197 O ARG A 29 11.665 5.248 1.970 1.00 0.00 O ATOM 198 CB ARG A 29 10.536 3.423 4.183 1.00 0.00 C ATOM 199 CG ARG A 29 10.591 2.113 4.974 1.00 0.00 C ATOM 200 CD ARG A 29 12.034 1.604 5.006 1.00 0.00 C ATOM 201 NE ARG A 29 12.567 1.750 6.389 1.00 0.00 N ATOM 202 CZ ARG A 29 13.841 1.565 6.606 1.00 0.00 C ATOM 203 NH1 ARG A 29 14.572 1.044 5.659 1.00 0.00 N ATOM 204 NH2 ARG A 29 14.339 1.906 7.762 1.00 0.00 N ATOM 0 H ARG A 29 11.034 1.120 3.277 1.00 0.00 H new ATOM 0 HA ARG A 29 9.881 3.349 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.283 4.118 4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.563 3.895 4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.226 2.272 5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.941 1.369 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.072 0.560 4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.648 2.168 4.304 1.00 0.00 H new ATOM 0 HE ARG A 29 11.943 1.992 7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.146 0.789 4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.569 0.892 5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.735 2.310 8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.332 1.769 7.950 1.00 0.00 H new ATOM 218 N GLU A 30 13.063 3.551 2.112 1.00 0.00 N ATOM 219 CA GLU A 30 14.191 4.386 1.663 1.00 0.00 C ATOM 220 C GLU A 30 14.010 4.795 0.215 1.00 0.00 C ATOM 221 O GLU A 30 14.042 5.961 -0.104 1.00 0.00 O ATOM 222 CB GLU A 30 15.480 3.572 1.795 1.00 0.00 C ATOM 223 CG GLU A 30 15.561 3.016 3.214 1.00 0.00 C ATOM 224 CD GLU A 30 17.012 2.656 3.535 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.691 2.260 2.601 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.360 2.798 4.695 1.00 0.00 O ATOM 0 H GLU A 30 13.288 2.577 2.315 1.00 0.00 H new ATOM 0 HA GLU A 30 14.237 5.286 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.490 2.759 1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.347 4.199 1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.191 3.753 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.926 2.135 3.308 1.00 0.00 H new ATOM 233 N GLU A 31 13.818 3.828 -0.643 1.00 0.00 N ATOM 234 CA GLU A 31 13.633 4.155 -2.063 1.00 0.00 C ATOM 235 C GLU A 31 12.258 4.773 -2.281 1.00 0.00 C ATOM 236 O GLU A 31 12.136 5.846 -2.842 1.00 0.00 O ATOM 237 CB GLU A 31 13.742 2.855 -2.865 1.00 0.00 C ATOM 238 CG GLU A 31 13.864 3.193 -4.344 1.00 0.00 C ATOM 239 CD GLU A 31 15.309 3.588 -4.654 1.00 0.00 C ATOM 240 OE1 GLU A 31 16.158 2.732 -4.461 1.00 0.00 O ATOM 241 OE2 GLU A 31 15.484 4.725 -5.063 1.00 0.00 O ATOM 0 H GLU A 31 13.783 2.835 -0.412 1.00 0.00 H new ATOM 0 HA GLU A 31 14.390 4.870 -2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.609 2.282 -2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.865 2.232 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.571 2.336 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.189 4.010 -4.599 1.00 0.00 H new ATOM 248 N VAL A 32 11.245 4.083 -1.828 1.00 0.00 N ATOM 249 CA VAL A 32 9.866 4.612 -1.994 1.00 0.00 C ATOM 250 C VAL A 32 9.820 6.086 -1.610 1.00 0.00 C ATOM 251 O VAL A 32 9.552 6.942 -2.429 1.00 0.00 O ATOM 252 CB VAL A 32 8.948 3.836 -1.040 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.686 4.672 -0.753 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.560 2.495 -1.676 1.00 0.00 C ATOM 0 H VAL A 32 11.315 3.183 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 32 9.551 4.501 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 32 9.470 3.644 -0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.032 4.123 -0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.973 5.618 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.159 4.868 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.908 1.945 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.037 2.676 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.459 1.910 -1.869 1.00 0.00 H new ATOM 264 N ASN A 33 10.085 6.346 -0.357 1.00 0.00 N ATOM 265 CA ASN A 33 10.068 7.752 0.133 1.00 0.00 C ATOM 266 C ASN A 33 10.975 8.661 -0.693 1.00 0.00 C ATOM 267 O ASN A 33 10.513 9.586 -1.330 1.00 0.00 O ATOM 268 CB ASN A 33 10.582 7.760 1.581 1.00 0.00 C ATOM 269 CG ASN A 33 10.262 9.114 2.220 1.00 0.00 C ATOM 270 OD1 ASN A 33 9.084 9.643 2.028 1.00 0.00 O flip ATOM 271 ND2 ASN A 33 11.081 9.702 2.897 1.00 0.00 N flip ATOM 0 H ASN A 33 10.312 5.644 0.347 1.00 0.00 H new ATOM 0 HA ASN A 33 9.047 8.125 0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.115 6.956 2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.657 7.581 1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.003 9.294 3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.847 10.604 3.312 1.00 0.00 H new ATOM 278 N GLU A 34 12.253 8.379 -0.650 1.00 0.00 N ATOM 279 CA GLU A 34 13.239 9.206 -1.418 1.00 0.00 C ATOM 280 C GLU A 34 12.679 9.709 -2.738 1.00 0.00 C ATOM 281 O GLU A 34 13.050 10.771 -3.200 1.00 0.00 O ATOM 282 CB GLU A 34 14.476 8.346 -1.714 1.00 0.00 C ATOM 283 CG GLU A 34 15.372 8.306 -0.470 1.00 0.00 C ATOM 284 CD GLU A 34 16.373 7.157 -0.601 1.00 0.00 C ATOM 285 OE1 GLU A 34 16.839 6.972 -1.713 1.00 0.00 O ATOM 286 OE2 GLU A 34 16.614 6.530 0.416 1.00 0.00 O ATOM 0 H GLU A 34 12.659 7.611 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 34 13.485 10.075 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.174 7.336 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.026 8.758 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.901 9.253 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.764 8.173 0.425 1.00 0.00 H new ATOM 293 N LYS A 35 11.802 8.954 -3.323 1.00 0.00 N ATOM 294 CA LYS A 35 11.224 9.399 -4.616 1.00 0.00 C ATOM 295 C LYS A 35 9.946 10.176 -4.404 1.00 0.00 C ATOM 296 O LYS A 35 9.748 11.224 -4.985 1.00 0.00 O ATOM 297 CB LYS A 35 10.919 8.175 -5.465 1.00 0.00 C ATOM 298 CG LYS A 35 11.320 8.459 -6.917 1.00 0.00 C ATOM 299 CD LYS A 35 10.453 9.603 -7.477 1.00 0.00 C ATOM 300 CE LYS A 35 10.660 9.703 -8.994 1.00 0.00 C ATOM 301 NZ LYS A 35 11.989 10.304 -9.297 1.00 0.00 N ATOM 0 H LYS A 35 11.462 8.059 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 35 11.946 10.047 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.464 7.310 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.858 7.933 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.375 8.730 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.192 7.562 -7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.402 9.421 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.722 10.545 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.591 8.712 -9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.870 10.310 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.115 10.366 -10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.041 11.257 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.740 9.709 -8.891 1.00 0.00 H new ATOM 315 N LEU A 36 9.103 9.653 -3.578 1.00 0.00 N ATOM 316 CA LEU A 36 7.824 10.350 -3.310 1.00 0.00 C ATOM 317 C LEU A 36 8.074 11.643 -2.556 1.00 0.00 C ATOM 318 O LEU A 36 7.153 12.343 -2.192 1.00 0.00 O ATOM 319 CB LEU A 36 6.946 9.439 -2.444 1.00 0.00 C ATOM 320 CG LEU A 36 5.977 8.678 -3.347 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.773 7.812 -4.314 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.075 7.780 -2.493 1.00 0.00 C ATOM 0 H LEU A 36 9.239 8.776 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 36 7.334 10.579 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.567 8.740 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.394 10.031 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 36 5.363 9.387 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.088 7.266 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.420 8.445 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.382 7.104 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.384 7.238 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.688 7.069 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.510 8.394 -1.792 1.00 0.00 H new ATOM 334 N ARG A 37 9.322 11.938 -2.341 1.00 0.00 N ATOM 335 CA ARG A 37 9.668 13.164 -1.620 1.00 0.00 C ATOM 336 C ARG A 37 8.943 14.366 -2.191 1.00 0.00 C ATOM 337 O ARG A 37 7.840 14.684 -1.792 1.00 0.00 O ATOM 338 CB ARG A 37 11.177 13.353 -1.771 1.00 0.00 C ATOM 339 CG ARG A 37 11.874 12.692 -0.591 1.00 0.00 C ATOM 340 CD ARG A 37 11.930 13.679 0.579 1.00 0.00 C ATOM 341 NE ARG A 37 13.278 14.314 0.618 1.00 0.00 N ATOM 342 CZ ARG A 37 13.570 15.140 1.586 1.00 0.00 C ATOM 343 NH1 ARG A 37 12.876 15.088 2.690 1.00 0.00 N ATOM 344 NH2 ARG A 37 14.546 15.991 1.418 1.00 0.00 N ATOM 0 H ARG A 37 10.115 11.371 -2.641 1.00 0.00 H new ATOM 0 HA ARG A 37 9.373 13.078 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.521 12.913 -2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.423 14.414 -1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.338 11.790 -0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.882 12.387 -0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.159 14.441 0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.731 13.161 1.517 1.00 0.00 H new ATOM 0 HE ARG A 37 13.966 14.105 -0.105 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.120 14.410 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.090 15.725 3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.067 16.003 0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.788 16.644 2.164 1.00 0.00 H new ATOM 358 N ASP A 38 9.578 15.006 -3.108 1.00 0.00 N ATOM 359 CA ASP A 38 8.971 16.198 -3.735 1.00 0.00 C ATOM 360 C ASP A 38 8.277 15.841 -5.058 1.00 0.00 C ATOM 361 O ASP A 38 8.528 16.446 -6.083 1.00 0.00 O ATOM 362 CB ASP A 38 10.106 17.204 -3.998 1.00 0.00 C ATOM 363 CG ASP A 38 11.397 16.440 -4.302 1.00 0.00 C ATOM 364 OD1 ASP A 38 11.502 15.978 -5.426 1.00 0.00 O ATOM 365 OD2 ASP A 38 12.205 16.362 -3.391 1.00 0.00 O ATOM 0 H ASP A 38 10.503 14.756 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 38 8.213 16.618 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.847 17.852 -4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.246 17.847 -3.129 1.00 0.00 H new ATOM 370 N THR A 39 7.411 14.862 -5.005 1.00 0.00 N ATOM 371 CA THR A 39 6.690 14.450 -6.241 1.00 0.00 C ATOM 372 C THR A 39 5.297 15.067 -6.282 1.00 0.00 C ATOM 373 O THR A 39 5.039 16.067 -5.641 1.00 0.00 O ATOM 374 CB THR A 39 6.555 12.925 -6.241 1.00 0.00 C ATOM 375 OG1 THR A 39 7.732 12.446 -5.626 1.00 0.00 O ATOM 376 CG2 THR A 39 6.614 12.370 -7.672 1.00 0.00 C ATOM 0 H THR A 39 7.175 14.335 -4.164 1.00 0.00 H new ATOM 0 HA THR A 39 7.251 14.791 -7.111 1.00 0.00 H new ATOM 0 HB THR A 39 5.621 12.638 -5.758 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.991 11.594 -6.035 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.516 11.285 -7.646 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.800 12.794 -8.260 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.568 12.637 -8.127 1.00 0.00 H new ATOM 384 N ALA A 40 4.422 14.461 -7.037 1.00 0.00 N ATOM 385 CA ALA A 40 3.044 15.001 -7.130 1.00 0.00 C ATOM 386 C ALA A 40 2.250 14.677 -5.869 1.00 0.00 C ATOM 387 O ALA A 40 2.635 13.827 -5.091 1.00 0.00 O ATOM 388 CB ALA A 40 2.350 14.355 -8.338 1.00 0.00 C ATOM 0 H ALA A 40 4.603 13.622 -7.588 1.00 0.00 H new ATOM 0 HA ALA A 40 3.091 16.084 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.334 14.740 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.905 14.592 -9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.318 13.274 -8.204 1.00 0.00 H new ATOM 394 N ASP A 41 1.156 15.364 -5.691 1.00 0.00 N ATOM 395 CA ASP A 41 0.337 15.128 -4.525 1.00 0.00 C ATOM 396 C ASP A 41 -0.639 13.970 -4.766 1.00 0.00 C ATOM 397 O ASP A 41 -1.835 14.103 -4.602 1.00 0.00 O ATOM 398 CB ASP A 41 -0.431 16.425 -4.273 1.00 0.00 C ATOM 399 CG ASP A 41 -0.635 17.170 -5.595 1.00 0.00 C ATOM 400 OD1 ASP A 41 0.314 17.822 -6.001 1.00 0.00 O ATOM 401 OD2 ASP A 41 -1.727 17.046 -6.124 1.00 0.00 O ATOM 0 H ASP A 41 0.810 16.083 -6.326 1.00 0.00 H new ATOM 0 HA ASP A 41 0.951 14.852 -3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.396 16.205 -3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.118 17.053 -3.571 1.00 0.00 H new ATOM 406 N GLY A 42 -0.099 12.854 -5.159 1.00 0.00 N ATOM 407 CA GLY A 42 -0.965 11.670 -5.420 1.00 0.00 C ATOM 408 C GLY A 42 -0.181 10.616 -6.201 1.00 0.00 C ATOM 409 O GLY A 42 -0.465 10.361 -7.354 1.00 0.00 O ATOM 0 H GLY A 42 0.899 12.708 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.316 11.250 -4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.848 11.971 -5.984 1.00 0.00 H new ATOM 413 N THR A 43 0.789 10.023 -5.546 1.00 0.00 N ATOM 414 CA THR A 43 1.611 8.980 -6.228 1.00 0.00 C ATOM 415 C THR A 43 1.318 7.592 -5.664 1.00 0.00 C ATOM 416 O THR A 43 0.616 7.463 -4.687 1.00 0.00 O ATOM 417 CB THR A 43 3.074 9.307 -5.961 1.00 0.00 C ATOM 418 OG1 THR A 43 3.128 10.715 -5.859 1.00 0.00 O ATOM 419 CG2 THR A 43 3.933 8.973 -7.178 1.00 0.00 C ATOM 0 H THR A 43 1.044 10.216 -4.577 1.00 0.00 H new ATOM 0 HA THR A 43 1.379 8.976 -7.293 1.00 0.00 H new ATOM 0 HB THR A 43 3.424 8.760 -5.086 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.051 10.995 -5.684 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.974 9.214 -6.966 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.846 7.910 -7.404 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.593 9.555 -8.034 1.00 0.00 H new ATOM 427 N PHE A 44 1.866 6.570 -6.290 1.00 0.00 N ATOM 428 CA PHE A 44 1.607 5.200 -5.773 1.00 0.00 C ATOM 429 C PHE A 44 2.558 4.161 -6.347 1.00 0.00 C ATOM 430 O PHE A 44 2.787 4.094 -7.538 1.00 0.00 O ATOM 431 CB PHE A 44 0.166 4.802 -6.121 1.00 0.00 C ATOM 432 CG PHE A 44 0.002 4.685 -7.638 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.006 5.812 -8.433 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.207 3.449 -8.229 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.201 5.705 -9.792 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.416 3.348 -9.584 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.411 4.471 -10.364 1.00 0.00 C ATOM 0 H PHE A 44 2.464 6.630 -7.114 1.00 0.00 H new ATOM 0 HA PHE A 44 1.765 5.224 -4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.081 3.852 -5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.529 5.545 -5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.172 6.782 -7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.206 2.557 -7.620 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.198 6.591 -10.409 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.584 2.380 -10.033 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.572 4.390 -11.429 1.00 0.00 H new ATOM 447 N LEU A 45 3.092 3.368 -5.456 1.00 0.00 N ATOM 448 CA LEU A 45 4.032 2.308 -5.854 1.00 0.00 C ATOM 449 C LEU A 45 3.909 1.153 -4.844 1.00 0.00 C ATOM 450 O LEU A 45 2.871 1.012 -4.221 1.00 0.00 O ATOM 451 CB LEU A 45 5.473 2.881 -5.875 1.00 0.00 C ATOM 452 CG LEU A 45 5.652 3.907 -4.759 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.308 3.276 -3.419 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.111 4.342 -4.734 1.00 0.00 C ATOM 0 H LEU A 45 2.906 3.420 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 45 3.802 1.937 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.195 2.073 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.673 3.345 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 45 4.997 4.760 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.437 4.013 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.273 2.935 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.967 2.427 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.258 5.076 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.746 3.476 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.375 4.786 -5.694 1.00 0.00 H new ATOM 466 N VAL A 46 4.951 0.359 -4.680 1.00 0.00 N ATOM 467 CA VAL A 46 4.859 -0.774 -3.702 1.00 0.00 C ATOM 468 C VAL A 46 5.935 -0.695 -2.625 1.00 0.00 C ATOM 469 O VAL A 46 6.911 0.010 -2.757 1.00 0.00 O ATOM 470 CB VAL A 46 5.000 -2.107 -4.497 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.303 -2.853 -4.133 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.815 -3.005 -4.155 1.00 0.00 C ATOM 0 H VAL A 46 5.841 0.446 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 46 3.898 -0.720 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 46 5.026 -1.870 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.366 -3.777 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.161 -2.222 -4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.303 -3.087 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.899 -3.943 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.811 -3.210 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.887 -2.504 -4.432 1.00 0.00 H new ATOM 482 N ARG A 47 5.709 -1.433 -1.571 1.00 0.00 N ATOM 483 CA ARG A 47 6.670 -1.459 -0.445 1.00 0.00 C ATOM 484 C ARG A 47 6.883 -2.902 -0.017 1.00 0.00 C ATOM 485 O ARG A 47 5.980 -3.542 0.491 1.00 0.00 O ATOM 486 CB ARG A 47 6.069 -0.669 0.733 1.00 0.00 C ATOM 487 CG ARG A 47 7.197 -0.030 1.567 1.00 0.00 C ATOM 488 CD ARG A 47 8.030 -1.126 2.256 1.00 0.00 C ATOM 489 NE ARG A 47 8.432 -0.650 3.609 1.00 0.00 N ATOM 490 CZ ARG A 47 8.934 -1.500 4.464 1.00 0.00 C ATOM 491 NH1 ARG A 47 9.449 -2.611 4.014 1.00 0.00 N ATOM 492 NH2 ARG A 47 8.904 -1.211 5.736 1.00 0.00 N ATOM 0 H ARG A 47 4.887 -2.024 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 47 7.619 -1.017 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.399 0.105 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.472 -1.332 1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.837 0.575 0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.772 0.640 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.450 -2.045 2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.913 -1.358 1.661 1.00 0.00 H new ATOM 0 HE ARG A 47 8.316 0.330 3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.454 -2.802 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.847 -3.289 4.664 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.493 -0.332 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.292 -1.864 6.417 1.00 0.00 H new ATOM 506 N ASP A 48 8.065 -3.393 -0.230 1.00 0.00 N ATOM 507 CA ASP A 48 8.353 -4.793 0.156 1.00 0.00 C ATOM 508 C ASP A 48 7.920 -5.097 1.581 1.00 0.00 C ATOM 509 O ASP A 48 8.179 -4.336 2.491 1.00 0.00 O ATOM 510 CB ASP A 48 9.864 -5.027 0.045 1.00 0.00 C ATOM 511 CG ASP A 48 10.151 -6.527 0.123 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.241 -7.231 0.525 1.00 0.00 O ATOM 513 OD2 ASP A 48 11.265 -6.884 -0.224 1.00 0.00 O ATOM 0 H ASP A 48 8.842 -2.886 -0.654 1.00 0.00 H new ATOM 0 HA ASP A 48 7.794 -5.448 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.238 -4.622 -0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.384 -4.503 0.847 1.00 0.00 H new ATOM 518 N ALA A 49 7.258 -6.215 1.744 1.00 0.00 N ATOM 519 CA ALA A 49 6.793 -6.604 3.095 1.00 0.00 C ATOM 520 C ALA A 49 7.852 -7.438 3.809 1.00 0.00 C ATOM 521 O ALA A 49 8.551 -8.217 3.191 1.00 0.00 O ATOM 522 CB ALA A 49 5.532 -7.461 2.936 1.00 0.00 C ATOM 0 H ALA A 49 7.024 -6.869 0.997 1.00 0.00 H new ATOM 0 HA ALA A 49 6.595 -5.705 3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.169 -7.761 3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.761 -6.883 2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.767 -8.349 2.350 1.00 0.00 H new ATOM 616 N ASP A 56 3.080 -10.666 -1.334 1.00 0.00 N ATOM 617 CA ASP A 56 2.263 -9.857 -0.393 1.00 0.00 C ATOM 618 C ASP A 56 3.048 -8.667 0.133 1.00 0.00 C ATOM 619 O ASP A 56 3.574 -8.700 1.223 1.00 0.00 O ATOM 620 CB ASP A 56 1.857 -10.744 0.784 1.00 0.00 C ATOM 621 CG ASP A 56 0.682 -10.098 1.523 1.00 0.00 C ATOM 622 OD1 ASP A 56 0.424 -8.943 1.226 1.00 0.00 O ATOM 623 OD2 ASP A 56 0.108 -10.797 2.340 1.00 0.00 O ATOM 0 HA ASP A 56 1.386 -9.483 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.577 -11.735 0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.700 -10.876 1.462 1.00 0.00 H new ATOM 628 N TYR A 57 3.099 -7.628 -0.653 1.00 0.00 N ATOM 629 CA TYR A 57 3.836 -6.430 -0.229 1.00 0.00 C ATOM 630 C TYR A 57 2.921 -5.451 0.479 1.00 0.00 C ATOM 631 O TYR A 57 2.043 -5.836 1.223 1.00 0.00 O ATOM 632 CB TYR A 57 4.406 -5.751 -1.476 1.00 0.00 C ATOM 633 CG TYR A 57 5.156 -6.779 -2.328 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.222 -7.489 -1.804 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.802 -6.985 -3.646 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.921 -8.384 -2.586 1.00 0.00 C ATOM 637 CE2 TYR A 57 5.500 -7.880 -4.427 1.00 0.00 C ATOM 638 CZ TYR A 57 6.566 -8.586 -3.905 1.00 0.00 C ATOM 639 OH TYR A 57 7.273 -9.470 -4.696 1.00 0.00 O ATOM 0 H TYR A 57 2.658 -7.567 -1.571 1.00 0.00 H new ATOM 0 HA TYR A 57 4.628 -6.726 0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.601 -5.301 -2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.079 -4.944 -1.187 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.509 -7.341 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.971 -6.440 -4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.752 -8.931 -2.164 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.211 -8.031 -5.457 1.00 0.00 H new ATOM 0 HH TYR A 57 8.229 -9.258 -4.649 1.00 0.00 H new ATOM 649 N THR A 58 3.145 -4.205 0.226 1.00 0.00 N ATOM 650 CA THR A 58 2.315 -3.170 0.862 1.00 0.00 C ATOM 651 C THR A 58 2.149 -1.960 -0.063 1.00 0.00 C ATOM 652 O THR A 58 3.102 -1.277 -0.381 1.00 0.00 O ATOM 653 CB THR A 58 3.025 -2.753 2.143 1.00 0.00 C ATOM 654 OG1 THR A 58 2.378 -3.475 3.173 1.00 0.00 O ATOM 655 CG2 THR A 58 2.758 -1.284 2.486 1.00 0.00 C ATOM 0 H THR A 58 3.873 -3.858 -0.399 1.00 0.00 H new ATOM 0 HA THR A 58 1.319 -3.559 1.072 1.00 0.00 H new ATOM 0 HB THR A 58 4.096 -2.923 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.132 -4.365 2.844 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.281 -1.024 3.406 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.115 -0.650 1.674 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.687 -1.131 2.622 1.00 0.00 H new ATOM 663 N LEU A 59 0.935 -1.739 -0.491 1.00 0.00 N ATOM 664 CA LEU A 59 0.658 -0.588 -1.397 1.00 0.00 C ATOM 665 C LEU A 59 0.816 0.740 -0.650 1.00 0.00 C ATOM 666 O LEU A 59 0.234 0.929 0.399 1.00 0.00 O ATOM 667 CB LEU A 59 -0.803 -0.726 -1.879 1.00 0.00 C ATOM 668 CG LEU A 59 -0.902 -0.401 -3.368 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.501 -1.626 -4.182 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.354 -0.045 -3.703 1.00 0.00 C ATOM 0 H LEU A 59 0.122 -2.307 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 59 1.358 -0.594 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.159 -1.740 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.446 -0.055 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.242 0.434 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.571 -1.395 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.524 -1.905 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.169 -2.454 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.436 0.189 -4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.000 -0.891 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.661 0.821 -3.116 1.00 0.00 H new ATOM 682 N THR A 60 1.608 1.639 -1.209 1.00 0.00 N ATOM 683 CA THR A 60 1.816 2.962 -0.541 1.00 0.00 C ATOM 684 C THR A 60 1.546 4.106 -1.510 1.00 0.00 C ATOM 685 O THR A 60 1.849 4.007 -2.682 1.00 0.00 O ATOM 686 CB THR A 60 3.270 3.040 -0.075 1.00 0.00 C ATOM 687 OG1 THR A 60 3.237 2.683 1.289 1.00 0.00 O ATOM 688 CG2 THR A 60 3.788 4.496 -0.078 1.00 0.00 C ATOM 0 H THR A 60 2.110 1.510 -2.087 1.00 0.00 H new ATOM 0 HA THR A 60 1.129 3.051 0.301 1.00 0.00 H new ATOM 0 HB THR A 60 3.893 2.418 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.605 1.946 1.419 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.825 4.514 0.259 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.727 4.902 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.178 5.101 0.593 1.00 0.00 H new ATOM 696 N LEU A 61 0.973 5.178 -1.002 1.00 0.00 N ATOM 697 CA LEU A 61 0.680 6.340 -1.895 1.00 0.00 C ATOM 698 C LEU A 61 0.955 7.664 -1.209 1.00 0.00 C ATOM 699 O LEU A 61 0.678 7.833 -0.041 1.00 0.00 O ATOM 700 CB LEU A 61 -0.813 6.335 -2.310 1.00 0.00 C ATOM 701 CG LEU A 61 -1.576 5.179 -1.648 1.00 0.00 C ATOM 702 CD1 LEU A 61 -3.072 5.442 -1.794 1.00 0.00 C ATOM 703 CD2 LEU A 61 -1.241 3.849 -2.344 1.00 0.00 C ATOM 0 H LEU A 61 0.702 5.293 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 61 1.331 6.237 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.273 7.283 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.890 6.250 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.291 5.114 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.631 4.630 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.325 6.383 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.330 5.501 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.789 3.039 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.525 3.907 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.171 3.658 -2.268 1.00 0.00 H new ATOM 715 N ARG A 62 1.497 8.591 -1.963 1.00 0.00 N ATOM 716 CA ARG A 62 1.798 9.907 -1.384 1.00 0.00 C ATOM 717 C ARG A 62 0.529 10.726 -1.329 1.00 0.00 C ATOM 718 O ARG A 62 -0.105 10.960 -2.355 1.00 0.00 O ATOM 719 CB ARG A 62 2.817 10.612 -2.280 1.00 0.00 C ATOM 720 CG ARG A 62 3.411 11.806 -1.531 1.00 0.00 C ATOM 721 CD ARG A 62 4.276 11.317 -0.355 1.00 0.00 C ATOM 722 NE ARG A 62 5.580 12.035 -0.382 1.00 0.00 N ATOM 723 CZ ARG A 62 5.651 13.263 0.054 1.00 0.00 C ATOM 724 NH1 ARG A 62 4.551 13.953 0.189 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.821 13.761 0.341 1.00 0.00 N ATOM 0 H ARG A 62 1.737 8.480 -2.948 1.00 0.00 H new ATOM 0 HA ARG A 62 2.201 9.793 -0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.608 9.918 -2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.338 10.947 -3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.014 12.408 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.611 12.448 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.765 11.500 0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.437 10.241 -0.427 1.00 0.00 H new ATOM 0 HE ARG A 62 6.414 11.569 -0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.652 13.531 -0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.590 14.914 0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.660 13.193 0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.898 14.719 0.683 1.00 0.00 H new ATOM 739 N LYS A 63 0.185 11.149 -0.135 1.00 0.00 N ATOM 740 CA LYS A 63 -1.047 11.959 0.054 1.00 0.00 C ATOM 741 C LYS A 63 -0.757 13.460 0.162 1.00 0.00 C ATOM 742 O LYS A 63 -1.356 14.149 0.966 1.00 0.00 O ATOM 743 CB LYS A 63 -1.686 11.486 1.372 1.00 0.00 C ATOM 744 CG LYS A 63 -3.217 11.478 1.271 1.00 0.00 C ATOM 745 CD LYS A 63 -3.773 10.663 2.445 1.00 0.00 C ATOM 746 CE LYS A 63 -5.108 11.264 2.903 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.958 10.218 3.539 1.00 0.00 N ATOM 0 H LYS A 63 0.712 10.963 0.718 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.698 11.822 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.329 10.485 1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.375 12.141 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.605 12.496 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.533 11.042 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.914 9.625 2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.061 10.663 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.926 12.073 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.631 11.697 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.858 10.640 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.146 9.459 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.464 9.824 4.365 1.00 0.00 H new ATOM 761 N GLY A 64 0.139 13.943 -0.646 1.00 0.00 N ATOM 762 CA GLY A 64 0.457 15.402 -0.584 1.00 0.00 C ATOM 763 C GLY A 64 1.631 15.676 0.344 1.00 0.00 C ATOM 764 O GLY A 64 2.549 16.390 -0.005 1.00 0.00 O ATOM 0 H GLY A 64 0.661 13.405 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.689 15.768 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.418 15.952 -0.238 1.00 0.00 H new ATOM 768 N GLY A 65 1.582 15.110 1.505 1.00 0.00 N ATOM 769 CA GLY A 65 2.697 15.337 2.464 1.00 0.00 C ATOM 770 C GLY A 65 2.862 14.152 3.416 1.00 0.00 C ATOM 771 O GLY A 65 3.820 14.096 4.164 1.00 0.00 O ATOM 0 H GLY A 65 0.830 14.505 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.625 15.497 1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.506 16.244 3.038 1.00 0.00 H new ATOM 775 N ASN A 66 1.928 13.232 3.370 1.00 0.00 N ATOM 776 CA ASN A 66 2.018 12.045 4.267 1.00 0.00 C ATOM 777 C ASN A 66 1.923 10.738 3.483 1.00 0.00 C ATOM 778 O ASN A 66 1.006 10.532 2.712 1.00 0.00 O ATOM 779 CB ASN A 66 0.849 12.109 5.254 1.00 0.00 C ATOM 780 CG ASN A 66 1.205 11.308 6.508 1.00 0.00 C ATOM 781 OD1 ASN A 66 1.508 10.043 6.387 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 1.213 11.824 7.608 1.00 0.00 N flip ATOM 0 H ASN A 66 1.115 13.254 2.754 1.00 0.00 H new ATOM 0 HA ASN A 66 2.980 12.064 4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.637 13.145 5.518 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.053 11.706 4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.978 12.811 7.710 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.455 11.270 8.429 1.00 0.00 H new ATOM 789 N ASN A 67 2.884 9.880 3.702 1.00 0.00 N ATOM 790 CA ASN A 67 2.892 8.573 2.994 1.00 0.00 C ATOM 791 C ASN A 67 1.770 7.679 3.507 1.00 0.00 C ATOM 792 O ASN A 67 1.792 7.246 4.642 1.00 0.00 O ATOM 793 CB ASN A 67 4.237 7.887 3.289 1.00 0.00 C ATOM 794 CG ASN A 67 4.404 6.682 2.368 1.00 0.00 C ATOM 795 OD1 ASN A 67 4.493 6.816 1.164 1.00 0.00 O ATOM 796 ND2 ASN A 67 4.455 5.488 2.892 1.00 0.00 N ATOM 0 H ASN A 67 3.664 10.031 4.342 1.00 0.00 H new ATOM 0 HA ASN A 67 2.751 8.736 1.926 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.057 8.590 3.139 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.275 7.570 4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.569 4.672 2.291 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.381 5.371 3.903 1.00 0.00 H new ATOM 803 N LYS A 68 0.805 7.415 2.667 1.00 0.00 N ATOM 804 CA LYS A 68 -0.311 6.552 3.103 1.00 0.00 C ATOM 805 C LYS A 68 0.036 5.093 2.858 1.00 0.00 C ATOM 806 O LYS A 68 0.225 4.674 1.734 1.00 0.00 O ATOM 807 CB LYS A 68 -1.558 6.918 2.277 1.00 0.00 C ATOM 808 CG LYS A 68 -2.806 6.845 3.166 1.00 0.00 C ATOM 809 CD LYS A 68 -3.026 5.396 3.597 1.00 0.00 C ATOM 810 CE LYS A 68 -4.301 5.313 4.446 1.00 0.00 C ATOM 811 NZ LYS A 68 -4.513 3.923 4.939 1.00 0.00 N ATOM 0 H LYS A 68 0.748 7.759 1.709 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.498 6.700 4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.451 7.921 1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.660 6.236 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.683 7.483 4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.677 7.213 2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.115 4.753 2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.169 5.040 4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.227 5.997 5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.160 5.630 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.301 3.486 4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.648 3.366 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.739 3.945 5.954 1.00 0.00 H new ATOM 825 N LEU A 69 0.111 4.342 3.923 1.00 0.00 N ATOM 826 CA LEU A 69 0.446 2.907 3.786 1.00 0.00 C ATOM 827 C LEU A 69 -0.803 2.037 3.742 1.00 0.00 C ATOM 828 O LEU A 69 -1.723 2.222 4.516 1.00 0.00 O ATOM 829 CB LEU A 69 1.281 2.491 5.005 1.00 0.00 C ATOM 830 CG LEU A 69 2.154 1.290 4.625 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.508 1.782 4.098 1.00 0.00 C ATOM 832 CD2 LEU A 69 2.384 0.424 5.865 1.00 0.00 C ATOM 0 H LEU A 69 -0.046 4.665 4.878 1.00 0.00 H new ATOM 0 HA LEU A 69 0.993 2.769 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.906 3.321 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.628 2.233 5.839 1.00 0.00 H new ATOM 0 HG LEU A 69 1.653 0.708 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.126 0.926 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.351 2.407 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.010 2.363 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.005 -0.432 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.886 1.013 6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.425 0.073 6.247 1.00 0.00 H new ATOM 844 N ILE A 70 -0.802 1.101 2.832 1.00 0.00 N ATOM 845 CA ILE A 70 -1.966 0.187 2.697 1.00 0.00 C ATOM 846 C ILE A 70 -1.462 -1.242 2.520 1.00 0.00 C ATOM 847 O ILE A 70 -0.536 -1.483 1.771 1.00 0.00 O ATOM 848 CB ILE A 70 -2.776 0.606 1.470 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.598 1.848 1.795 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.734 -0.541 1.084 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.438 2.852 0.655 1.00 0.00 C ATOM 0 H ILE A 70 -0.041 0.931 2.175 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.594 0.238 3.587 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.097 0.824 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.648 1.584 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.264 2.287 2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.316 -0.250 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.156 -1.436 0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.408 -0.748 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.021 3.747 0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.387 3.120 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.792 2.406 -0.275 1.00 0.00 H new ATOM 863 N LYS A 71 -2.075 -2.165 3.204 1.00 0.00 N ATOM 864 CA LYS A 71 -1.629 -3.579 3.080 1.00 0.00 C ATOM 865 C LYS A 71 -2.312 -4.316 1.928 1.00 0.00 C ATOM 866 O LYS A 71 -3.427 -4.015 1.558 1.00 0.00 O ATOM 867 CB LYS A 71 -1.978 -4.300 4.391 1.00 0.00 C ATOM 868 CG LYS A 71 -0.904 -5.347 4.696 1.00 0.00 C ATOM 869 CD LYS A 71 -1.420 -6.289 5.785 1.00 0.00 C ATOM 870 CE LYS A 71 -0.231 -6.944 6.491 1.00 0.00 C ATOM 871 NZ LYS A 71 0.277 -6.064 7.581 1.00 0.00 N ATOM 0 H LYS A 71 -2.858 -2.005 3.838 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.558 -3.578 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.044 -3.581 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.954 -4.778 4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.661 -5.911 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.014 -4.860 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.025 -5.736 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.063 -7.052 5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.531 -7.908 6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.565 -7.139 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.084 -6.523 8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.582 -5.154 7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.480 -5.900 8.275 1.00 0.00 H new ATOM 885 N ILE A 72 -1.599 -5.269 1.379 1.00 0.00 N ATOM 886 CA ILE A 72 -2.145 -6.068 0.252 1.00 0.00 C ATOM 887 C ILE A 72 -2.580 -7.435 0.798 1.00 0.00 C ATOM 888 O ILE A 72 -1.795 -8.109 1.434 1.00 0.00 O ATOM 889 CB ILE A 72 -0.998 -6.266 -0.760 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.936 -5.089 -1.753 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.203 -7.593 -1.529 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.995 -5.242 -2.861 1.00 0.00 C ATOM 0 H ILE A 72 -0.655 -5.525 1.670 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.995 -5.574 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.056 -6.305 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.095 -4.151 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.057 -5.038 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.391 -7.729 -2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.210 -8.425 -0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.153 -7.561 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.928 -4.398 -3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.819 -6.168 -3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.989 -5.268 -2.414 1.00 0.00 H new ATOM 904 N PHE A 73 -3.813 -7.832 0.545 1.00 0.00 N ATOM 905 CA PHE A 73 -4.255 -9.157 1.073 1.00 0.00 C ATOM 906 C PHE A 73 -4.069 -10.267 0.043 1.00 0.00 C ATOM 907 O PHE A 73 -4.824 -10.381 -0.901 1.00 0.00 O ATOM 908 CB PHE A 73 -5.746 -9.080 1.475 1.00 0.00 C ATOM 909 CG PHE A 73 -6.222 -7.618 1.501 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.499 -6.650 2.181 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.377 -7.245 0.832 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.924 -5.336 2.188 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.796 -5.928 0.842 1.00 0.00 C ATOM 914 CZ PHE A 73 -7.068 -4.976 1.517 1.00 0.00 C ATOM 0 H PHE A 73 -4.508 -7.309 0.012 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.639 -9.393 1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.349 -9.652 0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.888 -9.532 2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.598 -6.925 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.953 -7.988 0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.356 -4.589 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.697 -5.646 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.395 -3.947 1.520 1.00 0.00 H new ATOM 924 N HIS A 74 -3.046 -11.059 0.258 1.00 0.00 N ATOM 925 CA HIS A 74 -2.747 -12.185 -0.668 1.00 0.00 C ATOM 926 C HIS A 74 -2.952 -13.515 0.063 1.00 0.00 C ATOM 927 O HIS A 74 -3.078 -13.528 1.274 1.00 0.00 O ATOM 928 CB HIS A 74 -1.273 -12.062 -1.091 1.00 0.00 C ATOM 929 CG HIS A 74 -0.672 -13.455 -1.265 1.00 0.00 C ATOM 930 ND1 HIS A 74 0.046 -14.034 -0.423 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.784 -14.335 -2.320 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.401 -15.183 -0.826 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.083 -15.467 -2.035 1.00 0.00 N ATOM 0 H HIS A 74 -2.402 -10.969 1.044 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.404 -12.151 -1.537 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.197 -11.503 -2.024 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.714 -11.505 -0.339 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.313 -13.633 0.476 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.340 -14.155 -3.229 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.024 -15.855 -0.255 1.00 0.00 H new ATOM 941 N ARG A 75 -2.986 -14.611 -0.673 1.00 0.00 N ATOM 942 CA ARG A 75 -3.183 -15.936 0.000 1.00 0.00 C ATOM 943 C ARG A 75 -2.188 -16.980 -0.509 1.00 0.00 C ATOM 944 O ARG A 75 -1.406 -17.506 0.258 1.00 0.00 O ATOM 945 CB ARG A 75 -4.616 -16.424 -0.290 1.00 0.00 C ATOM 946 CG ARG A 75 -4.895 -17.701 0.519 1.00 0.00 C ATOM 947 CD ARG A 75 -6.408 -17.866 0.696 1.00 0.00 C ATOM 948 NE ARG A 75 -6.704 -19.277 1.075 1.00 0.00 N ATOM 949 CZ ARG A 75 -7.788 -19.849 0.622 1.00 0.00 C ATOM 950 NH1 ARG A 75 -8.860 -19.124 0.455 1.00 0.00 N ATOM 951 NH2 ARG A 75 -7.764 -21.127 0.352 1.00 0.00 N ATOM 0 H ARG A 75 -2.888 -14.642 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.020 -15.809 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.336 -15.649 -0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.736 -16.622 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.480 -18.569 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.407 -17.643 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.773 -17.186 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.925 -17.609 -0.228 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.066 -19.791 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.842 -18.129 0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.716 -19.553 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.908 -21.663 0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.601 -21.589 -0.002 1.00 0.00 H new ATOM 965 N ASP A 76 -2.237 -17.262 -1.793 1.00 0.00 N ATOM 966 CA ASP A 76 -1.294 -18.275 -2.360 1.00 0.00 C ATOM 967 C ASP A 76 -0.615 -17.763 -3.623 1.00 0.00 C ATOM 968 O ASP A 76 0.564 -17.976 -3.823 1.00 0.00 O ATOM 969 CB ASP A 76 -2.094 -19.533 -2.708 1.00 0.00 C ATOM 970 CG ASP A 76 -1.694 -20.665 -1.758 1.00 0.00 C ATOM 971 OD1 ASP A 76 -0.733 -21.338 -2.092 1.00 0.00 O ATOM 972 OD2 ASP A 76 -2.373 -20.791 -0.752 1.00 0.00 O ATOM 0 H ASP A 76 -2.881 -16.839 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.522 -18.485 -1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.162 -19.333 -2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.904 -19.825 -3.741 1.00 0.00 H new ATOM 977 N GLY A 77 -1.363 -17.099 -4.459 1.00 0.00 N ATOM 978 CA GLY A 77 -0.756 -16.573 -5.713 1.00 0.00 C ATOM 979 C GLY A 77 -1.631 -15.473 -6.316 1.00 0.00 C ATOM 980 O GLY A 77 -1.280 -14.884 -7.320 1.00 0.00 O ATOM 0 H GLY A 77 -2.355 -16.900 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.239 -16.180 -5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.634 -17.383 -6.432 1.00 0.00 H new ATOM 984 N LYS A 78 -2.752 -15.220 -5.686 1.00 0.00 N ATOM 985 CA LYS A 78 -3.664 -14.175 -6.193 1.00 0.00 C ATOM 986 C LYS A 78 -3.562 -12.923 -5.321 1.00 0.00 C ATOM 987 O LYS A 78 -2.579 -12.735 -4.634 1.00 0.00 O ATOM 988 CB LYS A 78 -5.109 -14.741 -6.157 1.00 0.00 C ATOM 989 CG LYS A 78 -5.283 -15.690 -4.961 1.00 0.00 C ATOM 990 CD LYS A 78 -5.041 -17.134 -5.420 1.00 0.00 C ATOM 991 CE LYS A 78 -5.214 -18.075 -4.230 1.00 0.00 C ATOM 992 NZ LYS A 78 -4.758 -19.447 -4.581 1.00 0.00 N ATOM 0 H LYS A 78 -3.066 -15.699 -4.842 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.396 -13.899 -7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.825 -13.922 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.322 -15.272 -7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.583 -15.426 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.286 -15.591 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.741 -17.398 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.038 -17.233 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.644 -17.703 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.261 -18.099 -3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.851 -20.067 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.342 -19.819 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.763 -19.416 -4.880 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.566 -12.084 -5.368 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.520 -10.856 -4.546 1.00 0.00 C ATOM 1008 C TYR A 79 -5.873 -10.534 -3.971 1.00 0.00 C ATOM 1009 O TYR A 79 -6.882 -11.032 -4.424 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.098 -9.688 -5.440 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.601 -9.752 -5.673 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.730 -9.133 -4.803 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -2.098 -10.424 -6.761 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.372 -9.186 -5.022 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.742 -10.481 -6.983 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.135 -9.862 -6.114 1.00 0.00 C ATOM 1017 OH TYR A 79 1.495 -9.912 -6.337 1.00 0.00 O ATOM 0 H TYR A 79 -5.404 -12.202 -5.937 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.815 -11.014 -3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.628 -9.733 -6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.365 -8.741 -4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.115 -8.603 -3.944 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.774 -10.912 -7.448 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.302 -8.695 -4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.361 -11.013 -7.842 1.00 0.00 H new ATOM 0 HH TYR A 79 1.674 -10.430 -7.149 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.862 -9.699 -2.983 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.127 -9.301 -2.336 1.00 0.00 C ATOM 1029 C GLY A 80 -7.157 -7.794 -2.210 1.00 0.00 C ATOM 1030 O GLY A 80 -6.344 -7.210 -1.519 1.00 0.00 O ATOM 0 H GLY A 80 -5.022 -9.271 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.977 -9.648 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.210 -9.764 -1.353 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.074 -7.191 -2.901 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.186 -5.725 -2.845 1.00 0.00 C ATOM 1036 C PHE A 81 -9.621 -5.305 -3.094 1.00 0.00 C ATOM 1037 O PHE A 81 -10.071 -4.280 -2.620 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.300 -5.133 -3.948 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.428 -4.038 -3.343 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.389 -4.360 -2.492 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.702 -2.709 -3.594 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.645 -3.368 -1.893 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.955 -1.717 -2.994 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.928 -2.050 -2.142 1.00 0.00 C ATOM 0 H PHE A 81 -8.752 -7.657 -3.504 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.874 -5.370 -1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.677 -5.911 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.916 -4.725 -4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.158 -5.397 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.506 -2.444 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.837 -3.629 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.176 -0.679 -3.193 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.345 -1.274 -1.669 1.00 0.00 H new ATOM 1054 N SER A 82 -10.313 -6.118 -3.833 1.00 0.00 N ATOM 1055 CA SER A 82 -11.731 -5.809 -4.141 1.00 0.00 C ATOM 1056 C SER A 82 -12.560 -7.079 -4.233 1.00 0.00 C ATOM 1057 O SER A 82 -13.681 -7.130 -3.763 1.00 0.00 O ATOM 1058 CB SER A 82 -11.784 -5.090 -5.497 1.00 0.00 C ATOM 1059 OG SER A 82 -11.272 -6.046 -6.415 1.00 0.00 O ATOM 0 H SER A 82 -9.958 -6.984 -4.238 1.00 0.00 H new ATOM 0 HA SER A 82 -12.138 -5.186 -3.345 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.802 -4.796 -5.753 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.182 -4.181 -5.490 1.00 0.00 H new ATOM 0 HG SER A 82 -11.557 -5.813 -7.323 1.00 0.00 H new ATOM 1065 N ASP A 83 -11.995 -8.080 -4.834 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.729 -9.362 -4.969 1.00 0.00 C ATOM 1067 C ASP A 83 -12.373 -10.309 -3.808 1.00 0.00 C ATOM 1068 O ASP A 83 -11.425 -10.063 -3.087 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.301 -10.026 -6.301 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.480 -10.019 -7.278 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.082 -8.963 -7.394 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -13.712 -11.069 -7.853 1.00 0.00 O ATOM 0 H ASP A 83 -11.058 -8.068 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.802 -9.170 -4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.455 -9.490 -6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.971 -11.049 -6.120 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.168 -11.365 -3.623 1.00 0.00 N ATOM 1078 CA PRO A 84 -12.918 -12.333 -2.548 1.00 0.00 C ATOM 1079 C PRO A 84 -11.658 -13.175 -2.850 1.00 0.00 C ATOM 1080 O PRO A 84 -11.635 -14.373 -2.644 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.177 -13.243 -2.547 1.00 0.00 C ATOM 1082 CG PRO A 84 -14.984 -12.909 -3.834 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.381 -11.626 -4.427 1.00 0.00 C ATOM 0 HA PRO A 84 -12.747 -11.845 -1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.892 -14.295 -2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.780 -13.065 -1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.924 -13.729 -4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.039 -12.766 -3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.135 -11.756 -5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.083 -10.794 -4.364 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.628 -12.524 -3.322 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.380 -13.261 -3.641 1.00 0.00 C ATOM 1093 C LEU A 85 -9.679 -14.405 -4.606 1.00 0.00 C ATOM 1094 O LEU A 85 -9.383 -15.553 -4.341 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.768 -13.816 -2.328 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.801 -12.775 -1.754 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.766 -12.899 -0.239 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.400 -13.035 -2.306 1.00 0.00 C ATOM 0 H LEU A 85 -10.601 -11.520 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.669 -12.585 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.556 -14.036 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.243 -14.751 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.133 -11.775 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.078 -12.159 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.765 -12.728 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.430 -13.899 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.707 -12.297 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.075 -14.035 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.417 -12.958 -3.393 1.00 0.00 H new ATOM 1110 N THR A 86 -10.277 -14.050 -5.719 1.00 0.00 N ATOM 1111 CA THR A 86 -10.623 -15.069 -6.743 1.00 0.00 C ATOM 1112 C THR A 86 -9.967 -14.724 -8.072 1.00 0.00 C ATOM 1113 O THR A 86 -9.626 -15.599 -8.845 1.00 0.00 O ATOM 1114 CB THR A 86 -12.145 -15.074 -6.927 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.678 -14.789 -5.648 1.00 0.00 O ATOM 1116 CG2 THR A 86 -12.650 -16.488 -7.249 1.00 0.00 C ATOM 0 H THR A 86 -10.538 -13.093 -5.957 1.00 0.00 H new ATOM 0 HA THR A 86 -10.270 -16.047 -6.416 1.00 0.00 H new ATOM 0 HB THR A 86 -12.424 -14.378 -7.718 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.553 -15.220 -5.555 1.00 0.00 H new ATOM 0 HG21 THR A 86 -13.732 -16.468 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.184 -16.840 -8.169 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.393 -17.161 -6.431 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.800 -13.447 -8.321 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.166 -13.044 -9.595 1.00 0.00 C ATOM 1126 C PHE A 87 -7.730 -13.537 -9.624 1.00 0.00 C ATOM 1127 O PHE A 87 -7.488 -14.692 -9.337 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.226 -11.493 -9.764 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.495 -10.754 -8.622 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.006 -10.747 -7.332 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.342 -10.029 -8.885 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.377 -10.032 -6.335 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.719 -9.317 -7.884 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.237 -9.319 -6.611 1.00 0.00 C ATOM 0 H PHE A 87 -10.074 -12.684 -7.702 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.708 -13.493 -10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.779 -11.216 -10.719 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.267 -11.172 -9.794 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.903 -11.306 -7.107 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.929 -10.023 -9.883 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.782 -10.033 -5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.822 -8.756 -8.100 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.747 -8.760 -5.828 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.791 -12.688 -9.942 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.384 -13.199 -9.964 1.00 0.00 C ATOM 1146 C ASN A 88 -4.338 -12.139 -10.303 1.00 0.00 C ATOM 1147 O ASN A 88 -3.160 -12.393 -10.142 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.295 -14.300 -11.033 1.00 0.00 C ATOM 1149 CG ASN A 88 -6.160 -13.910 -12.232 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -6.395 -12.646 -12.459 1.00 0.00 O flip ATOM 1151 ND2 ASN A 88 -6.632 -14.749 -12.971 1.00 0.00 N flip ATOM 0 H ASN A 88 -6.922 -11.705 -10.178 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.164 -13.555 -8.957 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.260 -14.437 -11.346 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.632 -15.251 -10.621 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.453 -15.738 -12.800 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.208 -14.465 -13.763 1.00 0.00 H new ATOM 1158 N SER A 89 -4.754 -10.987 -10.767 1.00 0.00 N ATOM 1159 CA SER A 89 -3.731 -9.943 -11.104 1.00 0.00 C ATOM 1160 C SER A 89 -4.115 -8.555 -10.635 1.00 0.00 C ATOM 1161 O SER A 89 -5.252 -8.109 -10.773 1.00 0.00 O ATOM 1162 CB SER A 89 -3.557 -9.901 -12.617 1.00 0.00 C ATOM 1163 OG SER A 89 -4.478 -10.866 -13.105 1.00 0.00 O ATOM 0 H SER A 89 -5.727 -10.726 -10.925 1.00 0.00 H new ATOM 0 HA SER A 89 -2.811 -10.221 -10.590 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.773 -8.909 -13.014 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.535 -10.145 -12.906 1.00 0.00 H new ATOM 0 HG SER A 89 -4.429 -10.900 -14.083 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.137 -7.878 -10.113 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.378 -6.517 -9.621 1.00 0.00 C ATOM 1171 C VAL A 90 -3.459 -5.581 -10.790 1.00 0.00 C ATOM 1172 O VAL A 90 -4.180 -4.605 -10.767 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.206 -6.099 -8.727 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.595 -4.844 -7.942 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.889 -7.230 -7.748 1.00 0.00 C ATOM 0 H VAL A 90 -2.181 -8.217 -10.009 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.309 -6.484 -9.056 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.330 -5.891 -9.342 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.764 -4.542 -7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.830 -4.038 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.468 -5.057 -7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.055 -6.936 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.764 -7.433 -7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.621 -8.128 -8.304 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.712 -5.895 -11.804 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.731 -5.042 -12.985 1.00 0.00 C ATOM 1187 C VAL A 91 -4.154 -4.908 -13.428 1.00 0.00 C ATOM 1188 O VAL A 91 -4.636 -3.831 -13.685 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.918 -5.723 -14.103 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.252 -4.661 -14.994 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.838 -6.619 -13.486 1.00 0.00 C ATOM 0 H VAL A 91 -2.095 -6.706 -11.854 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.303 -4.064 -12.765 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.592 -6.328 -14.709 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.680 -5.153 -15.781 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.019 -4.030 -15.443 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.584 -4.046 -14.390 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.266 -7.098 -14.280 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.171 -6.014 -12.872 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.309 -7.382 -12.866 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.806 -6.023 -13.495 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.215 -6.010 -13.914 1.00 0.00 C ATOM 1203 C GLU A 92 -6.981 -5.068 -13.009 1.00 0.00 C ATOM 1204 O GLU A 92 -7.779 -4.268 -13.459 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.783 -7.432 -13.760 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.136 -7.511 -14.463 1.00 0.00 C ATOM 1207 CD GLU A 92 -8.831 -8.824 -14.087 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -8.104 -9.781 -13.882 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -10.050 -8.792 -14.026 1.00 0.00 O ATOM 0 H GLU A 92 -4.421 -6.942 -13.277 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.303 -5.682 -14.950 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.094 -8.160 -14.188 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.893 -7.680 -12.704 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.757 -6.663 -14.175 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.000 -7.455 -15.543 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.716 -5.182 -11.732 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.411 -4.302 -10.762 1.00 0.00 C ATOM 1218 C LEU A 93 -6.908 -2.867 -10.892 1.00 0.00 C ATOM 1219 O LEU A 93 -7.595 -2.013 -11.418 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.096 -4.819 -9.338 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.736 -3.898 -8.282 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.656 -4.725 -7.392 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.636 -3.283 -7.413 1.00 0.00 C ATOM 0 H LEU A 93 -6.053 -5.843 -11.327 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.484 -4.316 -10.956 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.473 -5.835 -9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.017 -4.860 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.302 -3.110 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.113 -4.080 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.436 -5.183 -8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.078 -5.505 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.086 -2.631 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.079 -4.077 -6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.959 -2.703 -8.040 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.723 -2.635 -10.396 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.142 -1.277 -10.470 1.00 0.00 C ATOM 1237 C ILE A 94 -5.450 -0.621 -11.813 1.00 0.00 C ATOM 1238 O ILE A 94 -5.664 0.572 -11.885 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.613 -1.418 -10.259 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.138 -0.537 -9.090 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.826 -1.028 -11.543 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.570 0.936 -9.276 1.00 0.00 C ATOM 0 H ILE A 94 -5.135 -3.334 -9.942 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.576 -0.636 -9.702 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.416 -2.465 -10.028 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.546 -0.921 -8.155 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.052 -0.591 -9.010 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.757 -1.138 -11.362 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.124 -1.680 -12.364 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.045 0.007 -11.804 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.217 1.528 -8.432 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.141 1.327 -10.198 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.657 0.992 -9.329 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.471 -1.403 -12.856 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.768 -0.813 -14.182 1.00 0.00 C ATOM 1256 C ASN A 95 -7.181 -0.248 -14.193 1.00 0.00 C ATOM 1257 O ASN A 95 -7.404 0.890 -14.589 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.667 -1.909 -15.256 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.172 -1.355 -16.588 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -6.109 -0.169 -16.843 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -6.678 -2.177 -17.465 1.00 0.00 N ATOM 0 H ASN A 95 -5.298 -2.408 -12.846 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.054 -0.015 -14.386 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.634 -2.243 -15.356 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.256 -2.778 -14.963 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.018 -1.823 -18.359 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.734 -3.174 -17.257 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.118 -1.047 -13.741 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.517 -0.573 -13.718 1.00 0.00 C ATOM 1270 C HIS A 96 -9.639 0.675 -12.865 1.00 0.00 C ATOM 1271 O HIS A 96 -10.556 1.453 -13.032 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.400 -1.676 -13.116 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.729 -1.723 -13.875 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.723 -1.013 -13.619 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -12.102 -2.505 -14.952 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.683 -1.254 -14.412 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.380 -2.199 -15.304 1.00 0.00 N ATOM 0 H HIS A 96 -7.967 -1.994 -13.393 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.833 -0.339 -14.735 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.895 -2.640 -13.182 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.577 -1.480 -12.058 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.478 -3.241 -15.437 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.638 -0.751 -14.370 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -13.954 -2.589 -16.052 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.714 0.848 -11.958 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.774 2.044 -11.094 1.00 0.00 C ATOM 1287 C TYR A 97 -8.010 3.195 -11.720 1.00 0.00 C ATOM 1288 O TYR A 97 -8.393 4.340 -11.585 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.157 1.707 -9.733 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.271 1.247 -8.776 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.333 2.084 -8.470 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.232 -0.009 -8.212 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.330 1.670 -7.622 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.234 -0.422 -7.360 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.292 0.413 -7.057 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.296 -0.006 -6.208 1.00 0.00 O ATOM 0 H TYR A 97 -7.932 0.217 -11.785 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.816 2.342 -10.974 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.408 0.923 -9.843 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.647 2.580 -9.325 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.376 3.072 -8.903 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.412 -0.674 -8.439 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.151 2.334 -7.396 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.191 -1.409 -6.925 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.108 -0.918 -5.904 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.938 2.880 -12.396 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.159 3.956 -13.026 1.00 0.00 C ATOM 1308 C ARG A 98 -7.085 4.817 -13.857 1.00 0.00 C ATOM 1309 O ARG A 98 -6.914 6.017 -13.950 1.00 0.00 O ATOM 1310 CB ARG A 98 -5.108 3.320 -13.941 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.725 3.484 -13.306 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.722 2.577 -14.026 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.516 3.085 -15.410 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.502 3.866 -15.659 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -0.306 3.347 -15.714 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -1.717 5.140 -15.841 1.00 0.00 N ATOM 0 H ARG A 98 -6.580 1.934 -12.532 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.676 4.569 -12.265 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.330 2.263 -14.091 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.129 3.792 -14.923 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.404 4.524 -13.372 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.767 3.229 -12.247 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.775 2.560 -13.486 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.092 1.552 -14.052 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.161 2.825 -16.156 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.177 2.346 -15.563 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.500 3.942 -15.908 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.666 5.510 -15.787 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.936 5.766 -16.037 1.00 0.00 H new ATOM 1330 N ASN A 99 -8.059 4.182 -14.452 1.00 0.00 N ATOM 1331 CA ASN A 99 -9.017 4.941 -15.284 1.00 0.00 C ATOM 1332 C ASN A 99 -10.028 5.663 -14.400 1.00 0.00 C ATOM 1333 O ASN A 99 -10.495 6.734 -14.733 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.762 3.956 -16.188 1.00 0.00 C ATOM 1335 CG ASN A 99 -9.476 4.299 -17.651 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.816 3.560 -18.357 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -9.953 5.409 -18.146 1.00 0.00 N ATOM 0 H ASN A 99 -8.227 3.177 -14.395 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.476 5.677 -15.879 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.445 2.936 -15.973 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.833 4.005 -15.994 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.772 5.653 -19.120 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.507 6.033 -17.559 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.344 5.058 -13.281 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.321 5.688 -12.355 1.00 0.00 C ATOM 1346 C GLU A 100 -10.610 6.463 -11.253 1.00 0.00 C ATOM 1347 O GLU A 100 -9.905 7.414 -11.522 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.166 4.581 -11.716 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.891 3.810 -12.818 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.084 3.067 -12.215 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -13.844 1.987 -11.699 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -15.167 3.621 -12.302 1.00 0.00 O ATOM 0 H GLU A 100 -9.968 4.161 -12.975 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.944 6.382 -12.918 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.531 3.907 -11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.887 5.011 -11.021 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.230 4.496 -13.595 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.210 3.103 -13.292 1.00 0.00 H new ATOM 1359 N SER A 101 -10.791 6.030 -10.025 1.00 0.00 N ATOM 1360 CA SER A 101 -10.128 6.739 -8.896 1.00 0.00 C ATOM 1361 C SER A 101 -10.238 5.948 -7.620 1.00 0.00 C ATOM 1362 O SER A 101 -11.029 5.029 -7.526 1.00 0.00 O ATOM 1363 CB SER A 101 -10.855 8.068 -8.652 1.00 0.00 C ATOM 1364 OG SER A 101 -10.593 8.844 -9.810 1.00 0.00 O ATOM 0 H SER A 101 -11.363 5.226 -9.764 1.00 0.00 H new ATOM 0 HA SER A 101 -9.080 6.882 -9.158 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.925 7.914 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.485 8.562 -7.753 1.00 0.00 H new ATOM 0 HG SER A 101 -9.860 8.437 -10.318 1.00 0.00 H new ATOM 1370 N LEU A 102 -9.438 6.318 -6.650 1.00 0.00 N ATOM 1371 CA LEU A 102 -9.478 5.603 -5.358 1.00 0.00 C ATOM 1372 C LEU A 102 -10.109 6.483 -4.309 1.00 0.00 C ATOM 1373 O LEU A 102 -9.487 7.396 -3.789 1.00 0.00 O ATOM 1374 CB LEU A 102 -8.044 5.255 -4.887 1.00 0.00 C ATOM 1375 CG LEU A 102 -7.316 4.321 -5.891 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.207 3.579 -5.152 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.267 3.284 -6.483 1.00 0.00 C ATOM 0 H LEU A 102 -8.765 7.082 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.057 4.689 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.470 6.173 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.089 4.773 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.919 4.935 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.686 2.918 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.501 4.299 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.640 2.989 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.723 2.648 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.682 2.672 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.076 3.791 -7.009 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.795 10.798 -7.835 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.513 9.922 -8.994 1.00 0.00 C ATOM 1536 C LYS A 112 -6.029 9.580 -9.014 1.00 0.00 C ATOM 1537 O LYS A 112 -5.194 10.459 -9.099 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.877 10.685 -10.282 1.00 0.00 C ATOM 1539 CG LYS A 112 -9.151 11.503 -10.042 1.00 0.00 C ATOM 1540 CD LYS A 112 -9.993 11.504 -11.319 1.00 0.00 C ATOM 1541 CE LYS A 112 -11.154 12.487 -11.153 1.00 0.00 C ATOM 1542 NZ LYS A 112 -11.875 12.234 -9.875 1.00 0.00 N ATOM 0 HA LYS A 112 -8.096 9.004 -8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.058 11.343 -10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.030 9.984 -11.103 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.721 11.078 -9.216 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.895 12.524 -9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.379 11.788 -12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.374 10.503 -11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.777 13.510 -11.168 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.843 12.389 -11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.826 12.651 -9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.954 11.209 -9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.349 12.665 -9.088 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.720 8.304 -8.936 1.00 0.00 N ATOM 1557 CA LEU A 113 -4.297 7.902 -8.944 1.00 0.00 C ATOM 1558 C LEU A 113 -3.787 7.580 -10.372 1.00 0.00 C ATOM 1559 O LEU A 113 -4.033 6.537 -10.918 1.00 0.00 O ATOM 1560 CB LEU A 113 -4.179 6.689 -7.942 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.664 5.380 -8.580 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.254 4.453 -7.446 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.789 4.688 -9.369 1.00 0.00 C ATOM 0 H LEU A 113 -6.392 7.540 -8.868 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.651 8.717 -8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.510 6.970 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.158 6.503 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.835 5.601 -9.253 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.884 3.515 -7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.468 4.925 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.116 4.254 -6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.409 3.767 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.614 4.454 -8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.142 5.352 -10.158 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.115 8.546 -10.956 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.575 8.356 -12.316 1.00 0.00 C ATOM 1577 C LEU A 114 -1.177 8.940 -12.421 1.00 0.00 C ATOM 1578 O LEU A 114 -0.820 9.526 -13.424 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.480 9.092 -13.295 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.851 8.428 -13.311 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -5.786 9.145 -12.344 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.409 8.541 -14.701 1.00 0.00 C ATOM 0 H LEU A 114 -2.924 9.456 -10.537 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.533 7.290 -12.540 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.574 10.139 -13.005 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.044 9.076 -14.294 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.761 7.384 -13.013 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.764 8.665 -12.361 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.375 9.095 -11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.889 10.188 -12.643 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.392 8.072 -14.738 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.499 9.593 -14.973 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.742 8.041 -15.403 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.411 8.768 -11.380 1.00 0.00 N ATOM 1595 CA TYR A 115 0.974 9.299 -11.386 1.00 0.00 C ATOM 1596 C TYR A 115 1.936 8.312 -10.729 1.00 0.00 C ATOM 1597 O TYR A 115 2.455 8.565 -9.663 1.00 0.00 O ATOM 1598 CB TYR A 115 0.985 10.604 -10.583 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.246 11.428 -10.954 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -1.471 11.148 -10.389 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -0.149 12.457 -11.869 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -2.585 11.884 -10.733 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -1.263 13.194 -12.214 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.491 12.913 -11.648 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.606 13.648 -11.995 1.00 0.00 O ATOM 0 H TYR A 115 -0.687 8.282 -10.527 1.00 0.00 H new ATOM 0 HA TYR A 115 1.292 9.463 -12.415 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.985 10.388 -9.515 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.893 11.168 -10.795 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -1.559 10.346 -9.671 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.806 12.687 -12.318 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.539 11.653 -10.283 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.174 13.996 -12.932 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.356 14.332 -12.651 1.00 0.00 H new ATOM 1615 N PRO A 116 2.154 7.191 -11.390 1.00 0.00 N ATOM 1616 CA PRO A 116 3.047 6.166 -10.875 1.00 0.00 C ATOM 1617 C PRO A 116 4.496 6.560 -11.075 1.00 0.00 C ATOM 1618 O PRO A 116 4.827 7.221 -12.040 1.00 0.00 O ATOM 1619 CB PRO A 116 2.753 4.933 -11.731 1.00 0.00 C ATOM 1620 CG PRO A 116 1.921 5.413 -12.957 1.00 0.00 C ATOM 1621 CD PRO A 116 1.520 6.867 -12.681 1.00 0.00 C ATOM 0 HA PRO A 116 2.894 6.004 -9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.680 4.460 -12.056 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.200 4.189 -11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.507 5.341 -13.873 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.038 4.788 -13.093 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.869 7.531 -13.472 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.437 6.976 -12.629 1.00 0.00 H new ATOM 1629 N VAL A 117 5.332 6.149 -10.164 1.00 0.00 N ATOM 1630 CA VAL A 117 6.768 6.488 -10.279 1.00 0.00 C ATOM 1631 C VAL A 117 7.575 5.241 -10.562 1.00 0.00 C ATOM 1632 O VAL A 117 7.441 4.251 -9.882 1.00 0.00 O ATOM 1633 CB VAL A 117 7.241 7.076 -8.955 1.00 0.00 C ATOM 1634 CG1 VAL A 117 6.968 8.583 -8.950 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.479 6.417 -7.809 1.00 0.00 C ATOM 0 H VAL A 117 5.079 5.594 -9.347 1.00 0.00 H new ATOM 0 HA VAL A 117 6.903 7.202 -11.091 1.00 0.00 H new ATOM 0 HB VAL A 117 8.309 6.896 -8.831 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.304 9.011 -8.005 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.506 9.053 -9.773 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.899 8.759 -9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.815 6.836 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.411 6.601 -7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.665 5.343 -7.818 1.00 0.00 H new ATOM 1645 N SER A 118 8.383 5.298 -11.569 1.00 0.00 N ATOM 1646 CA SER A 118 9.187 4.139 -11.898 1.00 0.00 C ATOM 1647 C SER A 118 10.424 4.532 -12.684 1.00 0.00 C ATOM 1648 O SER A 118 10.595 5.678 -13.051 1.00 0.00 O ATOM 1649 CB SER A 118 8.335 3.240 -12.757 1.00 0.00 C ATOM 1650 OG SER A 118 7.175 4.015 -13.027 1.00 0.00 O ATOM 0 H SER A 118 8.512 6.109 -12.174 1.00 0.00 H new ATOM 0 HA SER A 118 9.512 3.646 -10.982 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.851 2.961 -13.676 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.084 2.314 -12.239 1.00 0.00 H new ATOM 0 HG SER A 118 6.809 3.763 -13.900 1.00 0.00 H new