USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 706 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 72 THR OG1 : rot 180:sc= -0.843 USER MOD Set 1.2: A 73 ASN : amide:sc= -1.89 X(o=-2.7,f=-3.2!) USER MOD Set 2.1: A 65 THR OG1 : rot 76:sc= 1.24 USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0.907 USER MOD Set 3.1: A 15 CYS SG : rot 35:sc= -1.73! USER MOD Set 3.2: A 25 TYR OH : rot -68:sc= -0.28 USER MOD Set 3.3: A 32 CYS SG : rot -73:sc= -2.06! USER MOD Set 4.1: A 23 TYR OH : rot 30:sc= 1.04 USER MOD Set 4.2: A 87 TYR OH : rot 173:sc= 1.25 USER MOD Set 5.1: A 13 SER OG : rot 15:sc= 0.356 USER MOD Set 5.2: A 91 THR OG1 : rot 29:sc= 0.163 USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0135 (180deg=-0.0135) USER MOD Single : A 3 SER OG : rot 180:sc=8.43e-05 USER MOD Single : A 6 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.059) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.22) USER MOD Single : A 19 SER OG : rot -5:sc= 0.636! USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0762 USER MOD Single : A 33 MET CE :methyl -172:sc= 0 (180deg=-0.0973) USER MOD Single : A 34 GLN : amide:sc= -2.84! C(o=-2.8!,f=-5!) USER MOD Single : A 37 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -1.27 USER MOD Single : A 47 SER OG : rot 180:sc= -0.457 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.863 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0188 K(o=-0.019,f=-1.3) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 32:sc= 0.653 USER MOD Single : A 58 SER OG : rot -132:sc= 0.654 USER MOD Single : A 59 ASN : amide:sc= -3.4! K(o=-3.4!,f=-2.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 71 ASN : amide:sc= -2.15 X(o=-2.2,f=-1.9) USER MOD Single : A 74 GLN : amide:sc= -6.77! C(o=-6.8!,f=-4.8!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 78 LYS NZ :NH3+ 132:sc= -0.106 (180deg=-0.803) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 47.952 -2.293 -13.426 1.00 0.00 N ATOM 2 CA GLY A 1 47.178 -1.032 -13.038 1.00 0.00 C ATOM 3 C GLY A 1 47.735 -0.118 -11.999 1.00 0.00 C ATOM 4 O GLY A 1 47.256 0.981 -11.804 1.00 0.00 O ATOM 0 H1 GLY A 1 47.426 -2.812 -14.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 48.887 -2.027 -13.795 1.00 0.00 H new ATOM 0 H3 GLY A 1 48.070 -2.899 -12.589 1.00 0.00 H new ATOM 0 HA2 GLY A 1 47.034 -0.445 -13.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 46.190 -1.346 -12.701 1.00 0.00 H new ATOM 10 N GLY A 2 48.753 -0.550 -11.301 1.00 0.00 N ATOM 11 CA GLY A 2 49.353 0.311 -10.240 1.00 0.00 C ATOM 12 C GLY A 2 48.620 0.062 -8.922 1.00 0.00 C ATOM 13 O GLY A 2 48.998 0.559 -7.881 1.00 0.00 O ATOM 0 H GLY A 2 49.194 -1.462 -11.420 1.00 0.00 H new ATOM 0 HA2 GLY A 2 50.414 0.087 -10.129 1.00 0.00 H new ATOM 0 HA3 GLY A 2 49.277 1.362 -10.520 1.00 0.00 H new ATOM 17 N SER A 3 47.563 -0.704 -8.966 1.00 0.00 N ATOM 18 CA SER A 3 46.787 -0.993 -7.726 1.00 0.00 C ATOM 19 C SER A 3 47.403 -2.183 -6.985 1.00 0.00 C ATOM 20 O SER A 3 48.101 -2.995 -7.560 1.00 0.00 O ATOM 21 CB SER A 3 45.344 -1.328 -8.108 1.00 0.00 C ATOM 22 OG SER A 3 45.342 -2.408 -9.032 1.00 0.00 O ATOM 0 H SER A 3 47.202 -1.144 -9.812 1.00 0.00 H new ATOM 0 HA SER A 3 46.809 -0.119 -7.075 1.00 0.00 H new ATOM 0 HB2 SER A 3 44.773 -1.594 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 3 44.860 -0.456 -8.549 1.00 0.00 H new ATOM 0 HG SER A 3 44.419 -2.627 -9.278 1.00 0.00 H new ATOM 28 N GLY A 4 47.140 -2.297 -5.712 1.00 0.00 N ATOM 29 CA GLY A 4 47.698 -3.437 -4.931 1.00 0.00 C ATOM 30 C GLY A 4 49.168 -3.178 -4.616 1.00 0.00 C ATOM 31 O GLY A 4 49.892 -4.067 -4.215 1.00 0.00 O ATOM 0 H GLY A 4 46.562 -1.648 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 4 47.136 -3.566 -4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 4 47.596 -4.362 -5.498 1.00 0.00 H new ATOM 35 N TRP A 5 49.617 -1.968 -4.792 1.00 0.00 N ATOM 36 CA TRP A 5 51.043 -1.660 -4.496 1.00 0.00 C ATOM 37 C TRP A 5 51.215 -1.464 -2.999 1.00 0.00 C ATOM 38 O TRP A 5 50.664 -0.555 -2.409 1.00 0.00 O ATOM 39 CB TRP A 5 51.464 -0.390 -5.241 1.00 0.00 C ATOM 40 CG TRP A 5 52.883 -0.066 -4.902 1.00 0.00 C ATOM 41 CD1 TRP A 5 53.970 -0.582 -5.521 1.00 0.00 C ATOM 42 CD2 TRP A 5 53.385 0.836 -3.876 1.00 0.00 C ATOM 43 NE1 TRP A 5 55.109 -0.058 -4.935 1.00 0.00 N ATOM 44 CE2 TRP A 5 54.800 0.822 -3.916 1.00 0.00 C ATOM 45 CE3 TRP A 5 52.757 1.656 -2.922 1.00 0.00 C ATOM 46 CZ2 TRP A 5 55.563 1.594 -3.039 1.00 0.00 C ATOM 47 CZ3 TRP A 5 53.520 2.436 -2.041 1.00 0.00 C ATOM 48 CH2 TRP A 5 54.921 2.404 -2.098 1.00 0.00 C ATOM 0 H TRP A 5 49.061 -1.181 -5.127 1.00 0.00 H new ATOM 0 HA TRP A 5 51.671 -2.488 -4.826 1.00 0.00 H new ATOM 0 HB2 TRP A 5 51.359 -0.534 -6.316 1.00 0.00 H new ATOM 0 HB3 TRP A 5 50.813 0.440 -4.965 1.00 0.00 H new ATOM 0 HD1 TRP A 5 53.952 -1.287 -6.339 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.060 -0.293 -5.220 1.00 0.00 H new ATOM 0 HE3 TRP A 5 51.679 1.685 -2.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 56.642 1.566 -3.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 53.026 3.065 -1.315 1.00 0.00 H new ATOM 0 HH2 TRP A 5 55.503 3.005 -1.415 1.00 0.00 H new ATOM 59 N ASN A 6 51.995 -2.317 -2.385 1.00 0.00 N ATOM 60 CA ASN A 6 52.245 -2.202 -0.921 1.00 0.00 C ATOM 61 C ASN A 6 53.748 -2.299 -0.677 1.00 0.00 C ATOM 62 O ASN A 6 54.202 -2.581 0.414 1.00 0.00 O ATOM 63 CB ASN A 6 51.514 -3.326 -0.181 1.00 0.00 C ATOM 64 CG ASN A 6 50.025 -3.286 -0.535 1.00 0.00 C ATOM 65 OD1 ASN A 6 49.451 -4.292 -0.900 1.00 0.00 O ATOM 66 ND2 ASN A 6 49.372 -2.159 -0.447 1.00 0.00 N ATOM 0 H ASN A 6 52.472 -3.094 -2.842 1.00 0.00 H new ATOM 0 HA ASN A 6 51.874 -1.247 -0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 6 51.938 -4.292 -0.455 1.00 0.00 H new ATOM 0 HB3 ASN A 6 51.646 -3.213 0.895 1.00 0.00 H new ATOM 0 HD21 ASN A 6 48.381 -2.124 -0.685 1.00 0.00 H new ATOM 0 HD22 ASN A 6 49.853 -1.313 -0.141 1.00 0.00 H new ATOM 73 N ALA A 7 54.517 -2.064 -1.699 1.00 0.00 N ATOM 74 CA ALA A 7 56.000 -2.134 -1.564 1.00 0.00 C ATOM 75 C ALA A 7 56.395 -3.483 -0.956 1.00 0.00 C ATOM 76 O ALA A 7 57.487 -3.650 -0.452 1.00 0.00 O ATOM 77 CB ALA A 7 56.481 -1.006 -0.649 1.00 0.00 C ATOM 0 H ALA A 7 54.181 -1.824 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 7 56.459 -2.029 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 7 57.565 -1.056 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.200 -0.044 -1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.021 -1.113 0.333 1.00 0.00 H new ATOM 83 N ASP A 8 55.504 -4.444 -0.985 1.00 0.00 N ATOM 84 CA ASP A 8 55.806 -5.785 -0.390 1.00 0.00 C ATOM 85 C ASP A 8 56.196 -6.793 -1.481 1.00 0.00 C ATOM 86 O ASP A 8 56.349 -7.967 -1.210 1.00 0.00 O ATOM 87 CB ASP A 8 54.562 -6.292 0.348 1.00 0.00 C ATOM 88 CG ASP A 8 54.960 -7.403 1.321 1.00 0.00 C ATOM 89 OD1 ASP A 8 56.020 -7.978 1.129 1.00 0.00 O ATOM 90 OD2 ASP A 8 54.202 -7.659 2.242 1.00 0.00 O ATOM 0 H ASP A 8 54.575 -4.357 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 8 56.643 -5.684 0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 8 54.089 -5.473 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 8 53.830 -6.666 -0.367 1.00 0.00 H new ATOM 95 N ASN A 9 56.363 -6.355 -2.706 1.00 0.00 N ATOM 96 CA ASN A 9 56.748 -7.297 -3.809 1.00 0.00 C ATOM 97 C ASN A 9 58.044 -6.798 -4.423 1.00 0.00 C ATOM 98 O ASN A 9 58.450 -7.219 -5.486 1.00 0.00 O ATOM 99 CB ASN A 9 55.649 -7.325 -4.871 1.00 0.00 C ATOM 100 CG ASN A 9 54.392 -7.972 -4.283 1.00 0.00 C ATOM 101 OD1 ASN A 9 54.379 -9.153 -3.998 1.00 0.00 O ATOM 102 ND2 ASN A 9 53.329 -7.242 -4.084 1.00 0.00 N ATOM 0 H ASN A 9 56.249 -5.383 -2.992 1.00 0.00 H new ATOM 0 HA ASN A 9 56.879 -8.306 -3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 9 55.427 -6.312 -5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 9 55.985 -7.884 -5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 9 52.488 -7.663 -3.689 1.00 0.00 H new ATOM 0 HD22 ASN A 9 53.339 -6.250 -4.323 1.00 0.00 H new ATOM 109 N VAL A 10 58.684 -5.881 -3.751 1.00 0.00 N ATOM 110 CA VAL A 10 59.957 -5.299 -4.258 1.00 0.00 C ATOM 111 C VAL A 10 61.076 -5.556 -3.241 1.00 0.00 C ATOM 112 O VAL A 10 60.868 -5.502 -2.046 1.00 0.00 O ATOM 113 CB VAL A 10 59.749 -3.796 -4.449 1.00 0.00 C ATOM 114 CG1 VAL A 10 58.778 -3.559 -5.607 1.00 0.00 C ATOM 115 CG2 VAL A 10 59.163 -3.189 -3.171 1.00 0.00 C ATOM 0 H VAL A 10 58.372 -5.504 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 10 60.239 -5.757 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 10 60.708 -3.327 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 10 58.629 -2.488 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 10 59.190 -3.988 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 10 57.822 -4.032 -5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 10 59.016 -2.118 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.205 -3.661 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 10 59.850 -3.356 -2.341 1.00 0.00 H new ATOM 125 N ASP A 11 62.264 -5.849 -3.712 1.00 0.00 N ATOM 126 CA ASP A 11 63.409 -6.119 -2.783 1.00 0.00 C ATOM 127 C ASP A 11 64.339 -4.890 -2.759 1.00 0.00 C ATOM 128 O ASP A 11 64.981 -4.590 -3.745 1.00 0.00 O ATOM 129 CB ASP A 11 64.198 -7.329 -3.294 1.00 0.00 C ATOM 130 CG ASP A 11 65.216 -7.754 -2.234 1.00 0.00 C ATOM 131 OD1 ASP A 11 64.944 -7.544 -1.063 1.00 0.00 O ATOM 132 OD2 ASP A 11 66.249 -8.283 -2.610 1.00 0.00 O ATOM 0 H ASP A 11 62.492 -5.913 -4.704 1.00 0.00 H new ATOM 0 HA ASP A 11 63.030 -6.320 -1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 11 63.520 -8.153 -3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 11 64.708 -7.079 -4.224 1.00 0.00 H new ATOM 137 N PRO A 12 64.422 -4.171 -1.659 1.00 0.00 N ATOM 138 CA PRO A 12 65.294 -2.964 -1.561 1.00 0.00 C ATOM 139 C PRO A 12 66.659 -3.149 -2.241 1.00 0.00 C ATOM 140 O PRO A 12 67.224 -2.216 -2.777 1.00 0.00 O ATOM 141 CB PRO A 12 65.460 -2.791 -0.052 1.00 0.00 C ATOM 142 CG PRO A 12 64.157 -3.244 0.509 1.00 0.00 C ATOM 143 CD PRO A 12 63.710 -4.409 -0.382 1.00 0.00 C ATOM 0 HA PRO A 12 64.858 -2.103 -2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 12 66.288 -3.389 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 12 65.668 -1.754 0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 12 64.266 -3.562 1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 12 63.424 -2.438 0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 12 63.980 -5.371 0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 12 62.629 -4.414 -0.522 1.00 0.00 H new ATOM 151 N SER A 13 67.197 -4.337 -2.217 1.00 0.00 N ATOM 152 CA SER A 13 68.529 -4.567 -2.851 1.00 0.00 C ATOM 153 C SER A 13 68.482 -4.235 -4.347 1.00 0.00 C ATOM 154 O SER A 13 69.415 -3.681 -4.894 1.00 0.00 O ATOM 155 CB SER A 13 68.937 -6.029 -2.667 1.00 0.00 C ATOM 156 OG SER A 13 69.229 -6.266 -1.295 1.00 0.00 O ATOM 0 H SER A 13 66.773 -5.159 -1.786 1.00 0.00 H new ATOM 0 HA SER A 13 69.259 -3.915 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 13 68.134 -6.687 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 13 69.809 -6.255 -3.281 1.00 0.00 H new ATOM 0 HG SER A 13 68.883 -5.525 -0.754 1.00 0.00 H new ATOM 162 N GLN A 14 67.421 -4.581 -5.023 1.00 0.00 N ATOM 163 CA GLN A 14 67.350 -4.294 -6.486 1.00 0.00 C ATOM 164 C GLN A 14 67.212 -2.786 -6.716 1.00 0.00 C ATOM 165 O GLN A 14 67.569 -2.275 -7.758 1.00 0.00 O ATOM 166 CB GLN A 14 66.145 -5.015 -7.097 1.00 0.00 C ATOM 167 CG GLN A 14 66.100 -4.751 -8.604 1.00 0.00 C ATOM 168 CD GLN A 14 64.961 -5.557 -9.229 1.00 0.00 C ATOM 169 OE1 GLN A 14 63.803 -5.249 -9.033 1.00 0.00 O ATOM 170 NE2 GLN A 14 65.244 -6.590 -9.974 1.00 0.00 N ATOM 0 H GLN A 14 66.604 -5.048 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 14 68.265 -4.648 -6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.214 -6.086 -6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 14 65.224 -4.667 -6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 14 65.954 -3.688 -8.793 1.00 0.00 H new ATOM 0 HG3 GLN A 14 67.050 -5.029 -9.061 1.00 0.00 H new ATOM 0 HE21 GLN A 14 66.217 -6.849 -10.139 1.00 0.00 H new ATOM 0 HE22 GLN A 14 64.492 -7.139 -10.392 1.00 0.00 H new ATOM 179 N CYS A 15 66.692 -2.075 -5.756 1.00 0.00 N ATOM 180 CA CYS A 15 66.526 -0.602 -5.921 1.00 0.00 C ATOM 181 C CYS A 15 67.891 0.080 -5.951 1.00 0.00 C ATOM 182 O CYS A 15 68.083 1.060 -6.645 1.00 0.00 O ATOM 183 CB CYS A 15 65.706 -0.050 -4.755 1.00 0.00 C ATOM 184 SG CYS A 15 65.300 1.686 -5.070 1.00 0.00 S ATOM 0 H CYS A 15 66.374 -2.449 -4.862 1.00 0.00 H new ATOM 0 HA CYS A 15 66.010 -0.404 -6.860 1.00 0.00 H new ATOM 0 HB2 CYS A 15 64.792 -0.632 -4.632 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.269 -0.140 -3.826 1.00 0.00 H new ATOM 0 HG CYS A 15 65.112 1.863 -6.344 1.00 0.00 H new ATOM 189 N ILE A 16 68.844 -0.427 -5.205 1.00 0.00 N ATOM 190 CA ILE A 16 70.207 0.192 -5.186 1.00 0.00 C ATOM 191 C ILE A 16 71.221 -0.814 -5.721 1.00 0.00 C ATOM 192 O ILE A 16 71.091 -2.007 -5.534 1.00 0.00 O ATOM 193 CB ILE A 16 70.585 0.581 -3.746 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.555 -0.668 -2.804 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.600 1.647 -3.246 1.00 0.00 C ATOM 196 CD1 ILE A 16 71.900 -0.819 -2.078 1.00 0.00 C ATOM 0 H ILE A 16 68.735 -1.246 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 16 70.207 1.086 -5.810 1.00 0.00 H new ATOM 0 HB ILE A 16 71.599 0.980 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 16 69.750 -0.564 -2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 16 70.345 -1.566 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.858 1.931 -2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.654 2.524 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.587 1.244 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 16 71.866 -1.692 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.697 -0.945 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.093 0.072 -1.481 1.00 0.00 H new ATOM 208 N LYS A 17 72.227 -0.332 -6.404 1.00 0.00 N ATOM 209 CA LYS A 17 73.269 -1.238 -6.981 1.00 0.00 C ATOM 210 C LYS A 17 74.644 -0.768 -6.516 1.00 0.00 C ATOM 211 O LYS A 17 74.882 0.411 -6.346 1.00 0.00 O ATOM 212 CB LYS A 17 73.193 -1.177 -8.508 1.00 0.00 C ATOM 213 CG LYS A 17 71.877 -1.807 -8.971 1.00 0.00 C ATOM 214 CD LYS A 17 71.712 -1.615 -10.485 1.00 0.00 C ATOM 215 CE LYS A 17 72.717 -2.486 -11.247 1.00 0.00 C ATOM 216 NZ LYS A 17 72.261 -2.643 -12.658 1.00 0.00 N ATOM 0 H LYS A 17 72.374 0.660 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 17 73.102 -2.263 -6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.254 -0.143 -8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 17 74.038 -1.706 -8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 17 71.866 -2.869 -8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 17 71.039 -1.350 -8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 17 70.696 -1.876 -10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 17 71.861 -0.567 -10.743 1.00 0.00 H new ATOM 0 HE2 LYS A 17 73.706 -2.028 -11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 17 72.805 -3.462 -10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 72.940 -3.234 -13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.326 -3.097 -12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 72.199 -1.708 -13.109 1.00 0.00 H new ATOM 230 N GLN A 18 75.548 -1.683 -6.307 1.00 0.00 N ATOM 231 CA GLN A 18 76.911 -1.296 -5.847 1.00 0.00 C ATOM 232 C GLN A 18 77.782 -0.980 -7.064 1.00 0.00 C ATOM 233 O GLN A 18 78.007 -1.824 -7.909 1.00 0.00 O ATOM 234 CB GLN A 18 77.526 -2.468 -5.075 1.00 0.00 C ATOM 235 CG GLN A 18 78.871 -2.048 -4.480 1.00 0.00 C ATOM 236 CD GLN A 18 79.496 -3.234 -3.740 1.00 0.00 C ATOM 237 OE1 GLN A 18 79.581 -4.321 -4.276 1.00 0.00 O ATOM 238 NE2 GLN A 18 79.940 -3.071 -2.523 1.00 0.00 N ATOM 0 H GLN A 18 75.402 -2.684 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 18 76.851 -0.419 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 18 76.851 -2.787 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.662 -3.321 -5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 18 79.539 -1.706 -5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 18 78.732 -1.211 -3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 18 79.869 -2.159 -2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 18 80.358 -3.856 -2.023 1.00 0.00 H new ATOM 247 N SER A 19 78.283 0.226 -7.157 1.00 0.00 N ATOM 248 CA SER A 19 79.154 0.600 -8.313 1.00 0.00 C ATOM 249 C SER A 19 80.609 0.582 -7.850 1.00 0.00 C ATOM 250 O SER A 19 80.991 1.310 -6.957 1.00 0.00 O ATOM 251 CB SER A 19 78.791 2.010 -8.785 1.00 0.00 C ATOM 252 OG SER A 19 79.341 2.962 -7.881 1.00 0.00 O ATOM 0 H SER A 19 78.125 0.971 -6.479 1.00 0.00 H new ATOM 0 HA SER A 19 79.012 -0.104 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 19 79.176 2.180 -9.790 1.00 0.00 H new ATOM 0 HB3 SER A 19 77.708 2.122 -8.835 1.00 0.00 H new ATOM 0 HG SER A 19 79.756 2.495 -7.126 1.00 0.00 H new ATOM 258 N GLY A 20 81.427 -0.240 -8.447 1.00 0.00 N ATOM 259 CA GLY A 20 82.857 -0.299 -8.032 1.00 0.00 C ATOM 260 C GLY A 20 82.943 -0.394 -6.506 1.00 0.00 C ATOM 261 O GLY A 20 82.899 -1.467 -5.939 1.00 0.00 O ATOM 0 H GLY A 20 81.168 -0.873 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 20 83.344 -1.161 -8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.385 0.588 -8.382 1.00 0.00 H new ATOM 265 N VAL A 21 83.073 0.728 -5.841 1.00 0.00 N ATOM 266 CA VAL A 21 83.173 0.732 -4.347 1.00 0.00 C ATOM 267 C VAL A 21 82.172 1.742 -3.777 1.00 0.00 C ATOM 268 O VAL A 21 82.314 2.212 -2.665 1.00 0.00 O ATOM 269 CB VAL A 21 84.600 1.131 -3.941 1.00 0.00 C ATOM 270 CG1 VAL A 21 84.890 0.644 -2.521 1.00 0.00 C ATOM 271 CG2 VAL A 21 85.604 0.495 -4.907 1.00 0.00 C ATOM 0 H VAL A 21 83.115 1.651 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 21 82.947 -0.260 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 21 84.691 2.217 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 21 85.903 0.930 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 21 84.179 1.096 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 21 84.795 -0.441 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 21 86.616 0.778 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 21 85.507 -0.590 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 21 85.405 0.843 -5.920 1.00 0.00 H new ATOM 281 N GLN A 22 81.169 2.084 -4.544 1.00 0.00 N ATOM 282 CA GLN A 22 80.144 3.077 -4.081 1.00 0.00 C ATOM 283 C GLN A 22 78.736 2.521 -4.260 1.00 0.00 C ATOM 284 O GLN A 22 78.517 1.532 -4.933 1.00 0.00 O ATOM 285 CB GLN A 22 80.268 4.364 -4.899 1.00 0.00 C ATOM 286 CG GLN A 22 81.533 5.104 -4.486 1.00 0.00 C ATOM 287 CD GLN A 22 81.716 6.333 -5.380 1.00 0.00 C ATOM 288 OE1 GLN A 22 80.752 6.919 -5.832 1.00 0.00 O ATOM 289 NE2 GLN A 22 82.921 6.752 -5.656 1.00 0.00 N ATOM 0 H GLN A 22 81.012 1.715 -5.482 1.00 0.00 H new ATOM 0 HA GLN A 22 80.319 3.281 -3.025 1.00 0.00 H new ATOM 0 HB2 GLN A 22 80.301 4.130 -5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 22 79.395 4.996 -4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 22 81.466 5.407 -3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 22 82.397 4.446 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 22 83.731 6.261 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 22 83.053 7.570 -6.250 1.00 0.00 H new ATOM 298 N TYR A 23 77.777 3.186 -3.672 1.00 0.00 N ATOM 299 CA TYR A 23 76.346 2.770 -3.792 1.00 0.00 C ATOM 300 C TYR A 23 75.573 3.924 -4.440 1.00 0.00 C ATOM 301 O TYR A 23 75.753 5.072 -4.083 1.00 0.00 O ATOM 302 CB TYR A 23 75.766 2.488 -2.394 1.00 0.00 C ATOM 303 CG TYR A 23 76.094 1.075 -1.965 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.438 0.001 -2.577 1.00 0.00 C ATOM 305 CD2 TYR A 23 77.028 0.837 -0.948 1.00 0.00 C ATOM 306 CE1 TYR A 23 75.714 -1.309 -2.177 1.00 0.00 C ATOM 307 CE2 TYR A 23 77.305 -0.477 -0.549 1.00 0.00 C ATOM 308 CZ TYR A 23 76.646 -1.549 -1.163 1.00 0.00 C ATOM 309 OH TYR A 23 76.917 -2.842 -0.771 1.00 0.00 O ATOM 0 H TYR A 23 77.928 4.018 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 23 76.265 1.866 -4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 23 76.173 3.198 -1.674 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.685 2.630 -2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.717 0.185 -3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 23 77.533 1.665 -0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 23 75.207 -2.136 -2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 23 78.027 -0.663 0.232 1.00 0.00 H new ATOM 0 HH TYR A 23 76.792 -3.447 -1.531 1.00 0.00 H new ATOM 319 N THR A 24 74.724 3.632 -5.396 1.00 0.00 N ATOM 320 CA THR A 24 73.943 4.715 -6.081 1.00 0.00 C ATOM 321 C THR A 24 72.462 4.331 -6.133 1.00 0.00 C ATOM 322 O THR A 24 72.108 3.170 -6.178 1.00 0.00 O ATOM 323 CB THR A 24 74.478 4.901 -7.504 1.00 0.00 C ATOM 324 OG1 THR A 24 74.412 3.665 -8.203 1.00 0.00 O ATOM 325 CG2 THR A 24 75.930 5.382 -7.443 1.00 0.00 C ATOM 0 H THR A 24 74.537 2.688 -5.734 1.00 0.00 H new ATOM 0 HA THR A 24 74.050 5.647 -5.526 1.00 0.00 H new ATOM 0 HB THR A 24 73.873 5.642 -8.026 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.753 3.786 -9.114 1.00 0.00 H new ATOM 0 HG21 THR A 24 76.312 5.515 -8.455 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.977 6.332 -6.910 1.00 0.00 H new ATOM 0 HG23 THR A 24 76.537 4.642 -6.920 1.00 0.00 H new ATOM 333 N TYR A 25 71.595 5.308 -6.112 1.00 0.00 N ATOM 334 CA TYR A 25 70.131 5.020 -6.143 1.00 0.00 C ATOM 335 C TYR A 25 69.655 4.892 -7.597 1.00 0.00 C ATOM 336 O TYR A 25 69.921 5.742 -8.422 1.00 0.00 O ATOM 337 CB TYR A 25 69.389 6.169 -5.457 1.00 0.00 C ATOM 338 CG TYR A 25 67.942 5.791 -5.267 1.00 0.00 C ATOM 339 CD1 TYR A 25 67.540 5.138 -4.097 1.00 0.00 C ATOM 340 CD2 TYR A 25 67.005 6.097 -6.258 1.00 0.00 C ATOM 341 CE1 TYR A 25 66.198 4.788 -3.918 1.00 0.00 C ATOM 342 CE2 TYR A 25 65.661 5.748 -6.079 1.00 0.00 C ATOM 343 CZ TYR A 25 65.258 5.093 -4.908 1.00 0.00 C ATOM 344 OH TYR A 25 63.934 4.744 -4.731 1.00 0.00 O ATOM 0 H TYR A 25 71.839 6.298 -6.075 1.00 0.00 H new ATOM 0 HA TYR A 25 69.929 4.084 -5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 25 69.848 6.388 -4.493 1.00 0.00 H new ATOM 0 HB3 TYR A 25 69.463 7.075 -6.059 1.00 0.00 H new ATOM 0 HD1 TYR A 25 68.266 4.904 -3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 25 67.317 6.602 -7.160 1.00 0.00 H new ATOM 0 HE1 TYR A 25 65.887 4.282 -3.016 1.00 0.00 H new ATOM 0 HE2 TYR A 25 64.935 5.984 -6.843 1.00 0.00 H new ATOM 0 HH TYR A 25 63.846 3.769 -4.764 1.00 0.00 H new ATOM 354 N ASN A 26 68.964 3.827 -7.921 1.00 0.00 N ATOM 355 CA ASN A 26 68.483 3.635 -9.324 1.00 0.00 C ATOM 356 C ASN A 26 67.113 4.294 -9.518 1.00 0.00 C ATOM 357 O ASN A 26 66.091 3.639 -9.474 1.00 0.00 O ATOM 358 CB ASN A 26 68.359 2.135 -9.604 1.00 0.00 C ATOM 359 CG ASN A 26 69.680 1.443 -9.273 1.00 0.00 C ATOM 360 OD1 ASN A 26 69.741 0.618 -8.384 1.00 0.00 O ATOM 361 ND2 ASN A 26 70.748 1.743 -9.959 1.00 0.00 N ATOM 0 H ASN A 26 68.712 3.081 -7.273 1.00 0.00 H new ATOM 0 HA ASN A 26 69.195 4.094 -10.009 1.00 0.00 H new ATOM 0 HB2 ASN A 26 67.553 1.708 -9.007 1.00 0.00 H new ATOM 0 HB3 ASN A 26 68.102 1.970 -10.650 1.00 0.00 H new ATOM 0 HD21 ASN A 26 71.635 1.285 -9.749 1.00 0.00 H new ATOM 0 HD22 ASN A 26 70.697 2.436 -10.706 1.00 0.00 H new ATOM 368 N SER A 27 67.077 5.581 -9.742 1.00 0.00 N ATOM 369 CA SER A 27 65.764 6.260 -9.950 1.00 0.00 C ATOM 370 C SER A 27 65.267 5.992 -11.373 1.00 0.00 C ATOM 371 O SER A 27 64.107 6.189 -11.680 1.00 0.00 O ATOM 372 CB SER A 27 65.922 7.766 -9.761 1.00 0.00 C ATOM 373 OG SER A 27 66.773 8.278 -10.779 1.00 0.00 O ATOM 0 H SER A 27 67.895 6.189 -9.790 1.00 0.00 H new ATOM 0 HA SER A 27 65.048 5.872 -9.226 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.948 8.254 -9.805 1.00 0.00 H new ATOM 0 HB3 SER A 27 66.342 7.979 -8.778 1.00 0.00 H new ATOM 0 HG SER A 27 66.876 9.246 -10.663 1.00 0.00 H new ATOM 379 N GLY A 28 66.134 5.553 -12.246 1.00 0.00 N ATOM 380 CA GLY A 28 65.708 5.289 -13.649 1.00 0.00 C ATOM 381 C GLY A 28 64.680 4.158 -13.670 1.00 0.00 C ATOM 382 O GLY A 28 64.133 3.825 -14.702 1.00 0.00 O ATOM 0 H GLY A 28 67.117 5.366 -12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 28 65.279 6.191 -14.085 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.572 5.020 -14.257 1.00 0.00 H new ATOM 386 N VAL A 29 64.401 3.572 -12.534 1.00 0.00 N ATOM 387 CA VAL A 29 63.392 2.469 -12.480 1.00 0.00 C ATOM 388 C VAL A 29 62.062 3.057 -12.008 1.00 0.00 C ATOM 389 O VAL A 29 61.998 3.769 -11.025 1.00 0.00 O ATOM 390 CB VAL A 29 63.867 1.387 -11.502 1.00 0.00 C ATOM 391 CG1 VAL A 29 63.131 0.072 -11.781 1.00 0.00 C ATOM 392 CG2 VAL A 29 65.369 1.173 -11.680 1.00 0.00 C ATOM 0 H VAL A 29 64.829 3.810 -11.639 1.00 0.00 H new ATOM 0 HA VAL A 29 63.268 2.018 -13.465 1.00 0.00 H new ATOM 0 HB VAL A 29 63.656 1.706 -10.481 1.00 0.00 H new ATOM 0 HG11 VAL A 29 63.473 -0.692 -11.083 1.00 0.00 H new ATOM 0 HG12 VAL A 29 62.058 0.222 -11.657 1.00 0.00 H new ATOM 0 HG13 VAL A 29 63.337 -0.251 -12.802 1.00 0.00 H new ATOM 0 HG21 VAL A 29 65.712 0.405 -10.987 1.00 0.00 H new ATOM 0 HG22 VAL A 29 65.573 0.856 -12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 29 65.896 2.105 -11.477 1.00 0.00 H new ATOM 402 N SER A 30 61.005 2.790 -12.720 1.00 0.00 N ATOM 403 CA SER A 30 59.686 3.357 -12.332 1.00 0.00 C ATOM 404 C SER A 30 59.288 2.892 -10.929 1.00 0.00 C ATOM 405 O SER A 30 58.752 3.653 -10.148 1.00 0.00 O ATOM 406 CB SER A 30 58.630 2.899 -13.341 1.00 0.00 C ATOM 407 OG SER A 30 58.396 1.505 -13.185 1.00 0.00 O ATOM 0 H SER A 30 60.998 2.203 -13.554 1.00 0.00 H new ATOM 0 HA SER A 30 59.756 4.445 -12.328 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.703 3.453 -13.190 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.966 3.111 -14.356 1.00 0.00 H new ATOM 0 HG SER A 30 57.719 1.213 -13.830 1.00 0.00 H new ATOM 413 N VAL A 31 59.533 1.656 -10.598 1.00 0.00 N ATOM 414 CA VAL A 31 59.143 1.165 -9.245 1.00 0.00 C ATOM 415 C VAL A 31 59.867 1.968 -8.155 1.00 0.00 C ATOM 416 O VAL A 31 59.293 2.296 -7.135 1.00 0.00 O ATOM 417 CB VAL A 31 59.499 -0.324 -9.121 1.00 0.00 C ATOM 418 CG1 VAL A 31 61.021 -0.499 -8.973 1.00 0.00 C ATOM 419 CG2 VAL A 31 58.789 -0.920 -7.900 1.00 0.00 C ATOM 0 H VAL A 31 59.983 0.967 -11.200 1.00 0.00 H new ATOM 0 HA VAL A 31 58.069 1.295 -9.115 1.00 0.00 H new ATOM 0 HB VAL A 31 59.173 -0.842 -10.023 1.00 0.00 H new ATOM 0 HG11 VAL A 31 61.259 -1.559 -8.886 1.00 0.00 H new ATOM 0 HG12 VAL A 31 61.522 -0.085 -9.848 1.00 0.00 H new ATOM 0 HG13 VAL A 31 61.362 0.024 -8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 31 59.042 -1.977 -7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 31 59.109 -0.394 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 31 57.711 -0.813 -8.018 1.00 0.00 H new ATOM 429 N CYS A 32 61.120 2.279 -8.352 1.00 0.00 N ATOM 430 CA CYS A 32 61.863 3.047 -7.310 1.00 0.00 C ATOM 431 C CYS A 32 61.206 4.412 -7.094 1.00 0.00 C ATOM 432 O CYS A 32 61.034 4.856 -5.973 1.00 0.00 O ATOM 433 CB CYS A 32 63.312 3.238 -7.757 1.00 0.00 C ATOM 434 SG CYS A 32 64.191 1.663 -7.615 1.00 0.00 S ATOM 0 H CYS A 32 61.659 2.037 -9.183 1.00 0.00 H new ATOM 0 HA CYS A 32 61.840 2.492 -6.372 1.00 0.00 H new ATOM 0 HB2 CYS A 32 63.344 3.594 -8.787 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.798 3.996 -7.143 1.00 0.00 H new ATOM 0 HG CYS A 32 64.401 1.395 -6.360 1.00 0.00 H new ATOM 439 N MET A 33 60.830 5.086 -8.147 1.00 0.00 N ATOM 440 CA MET A 33 60.184 6.418 -7.975 1.00 0.00 C ATOM 441 C MET A 33 58.704 6.236 -7.620 1.00 0.00 C ATOM 442 O MET A 33 58.059 7.143 -7.134 1.00 0.00 O ATOM 443 CB MET A 33 60.320 7.223 -9.278 1.00 0.00 C ATOM 444 CG MET A 33 61.691 7.907 -9.324 1.00 0.00 C ATOM 445 SD MET A 33 61.634 9.397 -8.285 1.00 0.00 S ATOM 446 CE MET A 33 63.058 9.058 -7.213 1.00 0.00 C ATOM 0 H MET A 33 60.941 4.775 -9.112 1.00 0.00 H new ATOM 0 HA MET A 33 60.675 6.959 -7.166 1.00 0.00 H new ATOM 0 HB2 MET A 33 60.203 6.563 -10.138 1.00 0.00 H new ATOM 0 HB3 MET A 33 59.528 7.970 -9.339 1.00 0.00 H new ATOM 0 HG2 MET A 33 62.465 7.227 -8.967 1.00 0.00 H new ATOM 0 HG3 MET A 33 61.947 8.171 -10.350 1.00 0.00 H new ATOM 0 HE1 MET A 33 63.096 9.798 -6.414 1.00 0.00 H new ATOM 0 HE2 MET A 33 62.959 8.062 -6.781 1.00 0.00 H new ATOM 0 HE3 MET A 33 63.975 9.110 -7.799 1.00 0.00 H new ATOM 456 N GLN A 34 58.162 5.071 -7.847 1.00 0.00 N ATOM 457 CA GLN A 34 56.729 4.848 -7.503 1.00 0.00 C ATOM 458 C GLN A 34 56.544 5.069 -6.001 1.00 0.00 C ATOM 459 O GLN A 34 55.567 5.640 -5.560 1.00 0.00 O ATOM 460 CB GLN A 34 56.333 3.413 -7.874 1.00 0.00 C ATOM 461 CG GLN A 34 54.858 3.171 -7.528 1.00 0.00 C ATOM 462 CD GLN A 34 54.473 1.740 -7.907 1.00 0.00 C ATOM 463 OE1 GLN A 34 55.122 0.796 -7.501 1.00 0.00 O ATOM 464 NE2 GLN A 34 53.439 1.540 -8.677 1.00 0.00 N ATOM 0 H GLN A 34 58.645 4.269 -8.253 1.00 0.00 H new ATOM 0 HA GLN A 34 56.097 5.544 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.498 3.245 -8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 34 56.962 2.703 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 34 54.692 3.334 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 34 54.227 3.882 -8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 34 52.895 2.333 -9.017 1.00 0.00 H new ATOM 0 HE22 GLN A 34 53.174 0.590 -8.939 1.00 0.00 H new ATOM 473 N GLY A 35 57.480 4.611 -5.212 1.00 0.00 N ATOM 474 CA GLY A 35 57.374 4.779 -3.733 1.00 0.00 C ATOM 475 C GLY A 35 57.765 6.206 -3.330 1.00 0.00 C ATOM 476 O GLY A 35 57.082 6.850 -2.559 1.00 0.00 O ATOM 0 H GLY A 35 58.318 4.125 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 35 56.355 4.568 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 35 58.023 4.061 -3.231 1.00 0.00 H new ATOM 480 N LEU A 36 58.863 6.699 -3.834 1.00 0.00 N ATOM 481 CA LEU A 36 59.294 8.080 -3.466 1.00 0.00 C ATOM 482 C LEU A 36 58.277 9.107 -3.983 1.00 0.00 C ATOM 483 O LEU A 36 57.932 10.046 -3.295 1.00 0.00 O ATOM 484 CB LEU A 36 60.683 8.359 -4.076 1.00 0.00 C ATOM 485 CG LEU A 36 61.797 7.816 -3.152 1.00 0.00 C ATOM 486 CD1 LEU A 36 63.068 7.553 -3.965 1.00 0.00 C ATOM 487 CD2 LEU A 36 62.127 8.853 -2.070 1.00 0.00 C ATOM 0 H LEU A 36 59.479 6.209 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 36 59.350 8.163 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.756 7.892 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.814 9.431 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 36 61.446 6.891 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.848 7.171 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.857 6.819 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 36 63.404 8.482 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.913 8.465 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.468 9.775 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 36 61.235 9.057 -1.477 1.00 0.00 H new ATOM 499 N ASN A 37 57.801 8.945 -5.187 1.00 0.00 N ATOM 500 CA ASN A 37 56.817 9.925 -5.733 1.00 0.00 C ATOM 501 C ASN A 37 55.538 9.910 -4.888 1.00 0.00 C ATOM 502 O ASN A 37 54.958 10.939 -4.607 1.00 0.00 O ATOM 503 CB ASN A 37 56.485 9.554 -7.179 1.00 0.00 C ATOM 504 CG ASN A 37 55.486 10.559 -7.756 1.00 0.00 C ATOM 505 OD1 ASN A 37 55.394 11.679 -7.293 1.00 0.00 O ATOM 506 ND2 ASN A 37 54.729 10.205 -8.759 1.00 0.00 N ATOM 0 H ASN A 37 58.049 8.180 -5.815 1.00 0.00 H new ATOM 0 HA ASN A 37 57.248 10.926 -5.702 1.00 0.00 H new ATOM 0 HB2 ASN A 37 57.394 9.546 -7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 37 56.067 8.548 -7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 37 54.062 10.868 -9.153 1.00 0.00 H new ATOM 0 HD22 ASN A 37 54.805 9.265 -9.149 1.00 0.00 H new ATOM 513 N GLU A 38 55.098 8.752 -4.477 1.00 0.00 N ATOM 514 CA GLU A 38 53.860 8.675 -3.648 1.00 0.00 C ATOM 515 C GLU A 38 54.119 9.304 -2.280 1.00 0.00 C ATOM 516 O GLU A 38 53.224 9.836 -1.652 1.00 0.00 O ATOM 517 CB GLU A 38 53.451 7.212 -3.466 1.00 0.00 C ATOM 518 CG GLU A 38 52.919 6.660 -4.791 1.00 0.00 C ATOM 519 CD GLU A 38 51.525 7.234 -5.061 1.00 0.00 C ATOM 520 OE1 GLU A 38 50.790 7.428 -4.105 1.00 0.00 O ATOM 521 OE2 GLU A 38 51.215 7.469 -6.218 1.00 0.00 O ATOM 0 H GLU A 38 55.542 7.856 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 38 53.058 9.215 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 38 54.306 6.624 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 38 52.687 7.131 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 38 53.596 6.922 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 38 52.874 5.572 -4.752 1.00 0.00 H new ATOM 528 N GLY A 39 55.335 9.255 -1.809 1.00 0.00 N ATOM 529 CA GLY A 39 55.647 9.859 -0.481 1.00 0.00 C ATOM 530 C GLY A 39 55.388 8.843 0.632 1.00 0.00 C ATOM 531 O GLY A 39 55.204 9.204 1.779 1.00 0.00 O ATOM 0 H GLY A 39 56.126 8.823 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.688 10.181 -0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 39 55.034 10.747 -0.324 1.00 0.00 H new ATOM 535 N LYS A 40 55.403 7.572 0.316 1.00 0.00 N ATOM 536 CA LYS A 40 55.191 6.528 1.363 1.00 0.00 C ATOM 537 C LYS A 40 56.559 5.958 1.686 1.00 0.00 C ATOM 538 O LYS A 40 56.718 5.083 2.515 1.00 0.00 O ATOM 539 CB LYS A 40 54.279 5.419 0.822 1.00 0.00 C ATOM 540 CG LYS A 40 52.923 6.009 0.390 1.00 0.00 C ATOM 541 CD LYS A 40 51.996 6.222 1.614 1.00 0.00 C ATOM 542 CE LYS A 40 51.067 5.016 1.802 1.00 0.00 C ATOM 543 NZ LYS A 40 50.259 5.207 3.040 1.00 0.00 N ATOM 0 H LYS A 40 55.554 7.212 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 40 54.717 6.949 2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.756 4.927 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 40 54.126 4.658 1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 40 53.082 6.959 -0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.442 5.340 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.597 6.369 2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 40 51.404 7.127 1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 40 50.411 4.909 0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 40 51.652 4.099 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 49.627 4.391 3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 50.894 5.289 3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 49.691 6.074 2.954 1.00 0.00 H new ATOM 557 N VAL A 41 57.555 6.470 1.014 1.00 0.00 N ATOM 558 CA VAL A 41 58.951 6.009 1.227 1.00 0.00 C ATOM 559 C VAL A 41 59.864 7.238 1.277 1.00 0.00 C ATOM 560 O VAL A 41 59.539 8.286 0.753 1.00 0.00 O ATOM 561 CB VAL A 41 59.359 5.107 0.057 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.676 4.400 0.357 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.269 4.057 -0.195 1.00 0.00 C ATOM 0 H VAL A 41 57.454 7.204 0.313 1.00 0.00 H new ATOM 0 HA VAL A 41 59.034 5.450 2.159 1.00 0.00 H new ATOM 0 HB VAL A 41 59.485 5.730 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 41 60.948 3.765 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.458 5.141 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.565 3.788 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.564 3.419 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.136 3.448 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.331 4.557 -0.436 1.00 0.00 H new ATOM 573 N ARG A 42 61.011 7.107 1.887 1.00 0.00 N ATOM 574 CA ARG A 42 61.979 8.250 1.966 1.00 0.00 C ATOM 575 C ARG A 42 63.260 7.842 1.250 1.00 0.00 C ATOM 576 O ARG A 42 64.139 8.645 1.010 1.00 0.00 O ATOM 577 CB ARG A 42 62.304 8.565 3.427 1.00 0.00 C ATOM 578 CG ARG A 42 61.071 9.149 4.116 1.00 0.00 C ATOM 579 CD ARG A 42 61.409 9.479 5.572 1.00 0.00 C ATOM 580 NE ARG A 42 62.349 10.633 5.610 1.00 0.00 N ATOM 581 CZ ARG A 42 61.909 11.843 5.396 1.00 0.00 C ATOM 582 NH1 ARG A 42 60.646 12.044 5.136 1.00 0.00 N ATOM 583 NH2 ARG A 42 62.736 12.853 5.437 1.00 0.00 N ATOM 0 H ARG A 42 61.326 6.249 2.340 1.00 0.00 H new ATOM 0 HA ARG A 42 61.541 9.134 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.625 7.659 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 42 63.132 9.272 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 42 60.742 10.048 3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 42 60.247 8.437 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 42 60.500 9.718 6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 42 61.858 8.613 6.058 1.00 0.00 H new ATOM 0 HE ARG A 42 63.338 10.478 5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 42 60.001 11.255 5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 42 60.304 12.990 4.969 1.00 0.00 H new ATOM 0 HH21 ARG A 42 63.724 12.695 5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 42 62.394 13.799 5.270 1.00 0.00 H new ATOM 597 N GLY A 43 63.368 6.588 0.909 1.00 0.00 N ATOM 598 CA GLY A 43 64.593 6.094 0.205 1.00 0.00 C ATOM 599 C GLY A 43 64.937 4.704 0.740 1.00 0.00 C ATOM 600 O GLY A 43 64.091 4.031 1.291 1.00 0.00 O ATOM 0 H GLY A 43 62.658 5.877 1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.420 6.053 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.425 6.779 0.369 1.00 0.00 H new ATOM 604 N VAL A 44 66.165 4.264 0.591 1.00 0.00 N ATOM 605 CA VAL A 44 66.555 2.909 1.104 1.00 0.00 C ATOM 606 C VAL A 44 67.684 3.063 2.124 1.00 0.00 C ATOM 607 O VAL A 44 68.685 3.696 1.860 1.00 0.00 O ATOM 608 CB VAL A 44 67.037 2.050 -0.068 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.493 0.678 0.439 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.888 1.859 -1.062 1.00 0.00 C ATOM 0 H VAL A 44 66.915 4.785 0.136 1.00 0.00 H new ATOM 0 HA VAL A 44 65.699 2.431 1.580 1.00 0.00 H new ATOM 0 HB VAL A 44 67.874 2.550 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.834 0.074 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.310 0.806 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.660 0.177 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 44 66.228 1.248 -1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 44 65.055 1.362 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.562 2.831 -1.432 1.00 0.00 H new ATOM 620 N SER A 45 67.537 2.477 3.284 1.00 0.00 N ATOM 621 CA SER A 45 68.606 2.574 4.315 1.00 0.00 C ATOM 622 C SER A 45 69.627 1.473 4.057 1.00 0.00 C ATOM 623 O SER A 45 69.274 0.359 3.727 1.00 0.00 O ATOM 624 CB SER A 45 67.995 2.399 5.712 1.00 0.00 C ATOM 625 OG SER A 45 67.507 3.653 6.169 1.00 0.00 O ATOM 0 H SER A 45 66.719 1.934 3.560 1.00 0.00 H new ATOM 0 HA SER A 45 69.089 3.550 4.263 1.00 0.00 H new ATOM 0 HB2 SER A 45 67.185 1.670 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 45 68.744 2.013 6.404 1.00 0.00 H new ATOM 0 HG SER A 45 67.114 3.546 7.060 1.00 0.00 H new ATOM 631 N VAL A 46 70.889 1.778 4.206 1.00 0.00 N ATOM 632 CA VAL A 46 71.953 0.758 3.971 1.00 0.00 C ATOM 633 C VAL A 46 72.909 0.725 5.160 1.00 0.00 C ATOM 634 O VAL A 46 73.379 1.742 5.633 1.00 0.00 O ATOM 635 CB VAL A 46 72.738 1.106 2.701 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.563 2.376 2.921 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.678 -0.052 2.360 1.00 0.00 C ATOM 0 H VAL A 46 71.231 2.698 4.483 1.00 0.00 H new ATOM 0 HA VAL A 46 71.485 -0.219 3.852 1.00 0.00 H new ATOM 0 HB VAL A 46 72.038 1.274 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 46 74.116 2.613 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.898 3.204 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.264 2.217 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 46 74.240 0.189 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.371 -0.214 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 46 73.094 -0.957 2.193 1.00 0.00 H new ATOM 647 N SER A 47 73.209 -0.452 5.628 1.00 0.00 N ATOM 648 CA SER A 47 74.152 -0.615 6.771 1.00 0.00 C ATOM 649 C SER A 47 75.224 -1.594 6.327 1.00 0.00 C ATOM 650 O SER A 47 74.976 -2.448 5.502 1.00 0.00 O ATOM 651 CB SER A 47 73.406 -1.180 7.973 1.00 0.00 C ATOM 652 OG SER A 47 73.256 -2.582 7.812 1.00 0.00 O ATOM 0 H SER A 47 72.834 -1.326 5.260 1.00 0.00 H new ATOM 0 HA SER A 47 74.591 0.341 7.056 1.00 0.00 H new ATOM 0 HB2 SER A 47 73.953 -0.964 8.890 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.429 -0.706 8.066 1.00 0.00 H new ATOM 0 HG SER A 47 72.778 -2.951 8.584 1.00 0.00 H new ATOM 658 N GLY A 48 76.419 -1.478 6.833 1.00 0.00 N ATOM 659 CA GLY A 48 77.485 -2.422 6.380 1.00 0.00 C ATOM 660 C GLY A 48 78.496 -2.695 7.488 1.00 0.00 C ATOM 661 O GLY A 48 78.844 -1.829 8.266 1.00 0.00 O ATOM 0 H GLY A 48 76.704 -0.786 7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.031 -3.360 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 48 77.997 -2.005 5.513 1.00 0.00 H new ATOM 665 N VAL A 49 78.996 -3.904 7.526 1.00 0.00 N ATOM 666 CA VAL A 49 80.028 -4.287 8.538 1.00 0.00 C ATOM 667 C VAL A 49 81.288 -4.681 7.780 1.00 0.00 C ATOM 668 O VAL A 49 81.254 -5.518 6.900 1.00 0.00 O ATOM 669 CB VAL A 49 79.552 -5.483 9.363 1.00 0.00 C ATOM 670 CG1 VAL A 49 80.671 -5.912 10.318 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.321 -5.090 10.182 1.00 0.00 C ATOM 0 H VAL A 49 78.729 -4.654 6.888 1.00 0.00 H new ATOM 0 HA VAL A 49 80.213 -3.452 9.214 1.00 0.00 H new ATOM 0 HB VAL A 49 79.296 -6.304 8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.338 -6.765 10.909 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.553 -6.192 9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.919 -5.084 10.983 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.986 -5.946 10.768 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.577 -4.269 10.852 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.522 -4.775 9.510 1.00 0.00 H new ATOM 681 N PHE A 50 82.393 -4.075 8.105 1.00 0.00 N ATOM 682 CA PHE A 50 83.667 -4.388 7.400 1.00 0.00 C ATOM 683 C PHE A 50 84.544 -5.232 8.326 1.00 0.00 C ATOM 684 O PHE A 50 84.957 -4.795 9.381 1.00 0.00 O ATOM 685 CB PHE A 50 84.362 -3.063 7.052 1.00 0.00 C ATOM 686 CG PHE A 50 83.319 -2.067 6.578 1.00 0.00 C ATOM 687 CD1 PHE A 50 82.463 -1.457 7.505 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.196 -1.766 5.214 1.00 0.00 C ATOM 689 CE1 PHE A 50 81.489 -0.550 7.071 1.00 0.00 C ATOM 690 CE2 PHE A 50 82.223 -0.857 4.782 1.00 0.00 C ATOM 691 CZ PHE A 50 81.369 -0.250 5.709 1.00 0.00 C ATOM 0 H PHE A 50 82.470 -3.368 8.837 1.00 0.00 H new ATOM 0 HA PHE A 50 83.484 -4.948 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 50 84.886 -2.673 7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 50 85.110 -3.223 6.276 1.00 0.00 H new ATOM 0 HD1 PHE A 50 82.555 -1.687 8.556 1.00 0.00 H new ATOM 0 HD2 PHE A 50 83.852 -2.236 4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 50 80.830 -0.082 7.787 1.00 0.00 H new ATOM 0 HE2 PHE A 50 82.131 -0.624 3.731 1.00 0.00 H new ATOM 0 HZ PHE A 50 80.618 0.450 5.374 1.00 0.00 H new ATOM 701 N TYR A 51 84.823 -6.450 7.935 1.00 0.00 N ATOM 702 CA TYR A 51 85.665 -7.343 8.786 1.00 0.00 C ATOM 703 C TYR A 51 87.129 -7.190 8.377 1.00 0.00 C ATOM 704 O TYR A 51 87.479 -7.361 7.230 1.00 0.00 O ATOM 705 CB TYR A 51 85.234 -8.800 8.581 1.00 0.00 C ATOM 706 CG TYR A 51 83.901 -9.053 9.251 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.711 -8.725 8.593 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.857 -9.634 10.524 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.477 -8.978 9.206 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.624 -9.884 11.138 1.00 0.00 C ATOM 711 CZ TYR A 51 81.434 -9.557 10.480 1.00 0.00 C ATOM 712 OH TYR A 51 80.217 -9.809 11.084 1.00 0.00 O ATOM 0 H TYR A 51 84.502 -6.865 7.060 1.00 0.00 H new ATOM 0 HA TYR A 51 85.543 -7.071 9.834 1.00 0.00 H new ATOM 0 HB2 TYR A 51 85.160 -9.018 7.516 1.00 0.00 H new ATOM 0 HB3 TYR A 51 85.988 -9.471 8.992 1.00 0.00 H new ATOM 0 HD1 TYR A 51 82.744 -8.276 7.611 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.775 -9.889 11.033 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.559 -8.726 8.696 1.00 0.00 H new ATOM 0 HE2 TYR A 51 82.592 -10.330 12.121 1.00 0.00 H new ATOM 0 HH TYR A 51 80.366 -10.214 11.964 1.00 0.00 H new ATOM 722 N TYR A 52 87.983 -6.868 9.312 1.00 0.00 N ATOM 723 CA TYR A 52 89.433 -6.693 9.005 1.00 0.00 C ATOM 724 C TYR A 52 90.212 -7.854 9.622 1.00 0.00 C ATOM 725 O TYR A 52 89.993 -8.225 10.760 1.00 0.00 O ATOM 726 CB TYR A 52 89.917 -5.378 9.622 1.00 0.00 C ATOM 727 CG TYR A 52 89.097 -4.227 9.080 1.00 0.00 C ATOM 728 CD1 TYR A 52 89.377 -3.691 7.816 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.058 -3.689 9.850 1.00 0.00 C ATOM 730 CE1 TYR A 52 88.619 -2.620 7.324 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.299 -2.619 9.359 1.00 0.00 C ATOM 732 CZ TYR A 52 87.581 -2.084 8.094 1.00 0.00 C ATOM 733 OH TYR A 52 86.836 -1.026 7.611 1.00 0.00 O ATOM 0 H TYR A 52 87.734 -6.717 10.289 1.00 0.00 H new ATOM 0 HA TYR A 52 89.588 -6.674 7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.829 -5.420 10.708 1.00 0.00 H new ATOM 0 HB3 TYR A 52 90.972 -5.225 9.394 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.178 -4.104 7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 52 87.841 -4.100 10.825 1.00 0.00 H new ATOM 0 HE1 TYR A 52 88.836 -2.208 6.350 1.00 0.00 H new ATOM 0 HE2 TYR A 52 86.498 -2.207 9.954 1.00 0.00 H new ATOM 0 HH TYR A 52 86.155 -0.777 8.271 1.00 0.00 H new ATOM 743 N ASN A 53 91.120 -8.438 8.890 1.00 0.00 N ATOM 744 CA ASN A 53 91.900 -9.574 9.454 1.00 0.00 C ATOM 745 C ASN A 53 92.599 -9.105 10.731 1.00 0.00 C ATOM 746 O ASN A 53 93.198 -9.883 11.447 1.00 0.00 O ATOM 747 CB ASN A 53 92.928 -10.065 8.435 1.00 0.00 C ATOM 748 CG ASN A 53 92.200 -10.598 7.199 1.00 0.00 C ATOM 749 OD1 ASN A 53 91.227 -11.317 7.317 1.00 0.00 O ATOM 750 ND2 ASN A 53 92.637 -10.282 6.012 1.00 0.00 N ATOM 0 H ASN A 53 91.354 -8.180 7.932 1.00 0.00 H new ATOM 0 HA ASN A 53 91.230 -10.402 9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 53 93.597 -9.251 8.155 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.546 -10.849 8.873 1.00 0.00 H new ATOM 0 HD21 ASN A 53 92.162 -10.638 5.182 1.00 0.00 H new ATOM 0 HD22 ASN A 53 93.453 -9.679 5.913 1.00 0.00 H new ATOM 757 N ASP A 54 92.506 -7.837 11.027 1.00 0.00 N ATOM 758 CA ASP A 54 93.137 -7.306 12.266 1.00 0.00 C ATOM 759 C ASP A 54 92.291 -7.768 13.456 1.00 0.00 C ATOM 760 O ASP A 54 92.553 -7.433 14.594 1.00 0.00 O ATOM 761 CB ASP A 54 93.162 -5.774 12.200 1.00 0.00 C ATOM 762 CG ASP A 54 94.069 -5.216 13.304 1.00 0.00 C ATOM 763 OD1 ASP A 54 94.317 -5.930 14.261 1.00 0.00 O ATOM 764 OD2 ASP A 54 94.497 -4.082 13.172 1.00 0.00 O ATOM 0 H ASP A 54 92.017 -7.144 10.460 1.00 0.00 H new ATOM 0 HA ASP A 54 94.160 -7.669 12.371 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.522 -5.450 11.224 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.152 -5.380 12.314 1.00 0.00 H new ATOM 769 N GLY A 55 91.280 -8.556 13.192 1.00 0.00 N ATOM 770 CA GLY A 55 90.411 -9.068 14.290 1.00 0.00 C ATOM 771 C GLY A 55 89.454 -7.972 14.765 1.00 0.00 C ATOM 772 O GLY A 55 89.041 -7.961 15.908 1.00 0.00 O ATOM 0 H GLY A 55 91.019 -8.868 12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 55 89.843 -9.930 13.941 1.00 0.00 H new ATOM 0 HA3 GLY A 55 91.027 -9.408 15.122 1.00 0.00 H new ATOM 776 N THR A 56 89.111 -7.041 13.904 1.00 0.00 N ATOM 777 CA THR A 56 88.190 -5.927 14.313 1.00 0.00 C ATOM 778 C THR A 56 87.053 -5.768 13.312 1.00 0.00 C ATOM 779 O THR A 56 87.201 -6.039 12.147 1.00 0.00 O ATOM 780 CB THR A 56 88.982 -4.626 14.378 1.00 0.00 C ATOM 781 OG1 THR A 56 89.733 -4.469 13.182 1.00 0.00 O ATOM 782 CG2 THR A 56 89.917 -4.678 15.580 1.00 0.00 C ATOM 0 H THR A 56 89.428 -7.003 12.935 1.00 0.00 H new ATOM 0 HA THR A 56 87.765 -6.165 15.288 1.00 0.00 H new ATOM 0 HB THR A 56 88.304 -3.779 14.482 1.00 0.00 H new ATOM 0 HG1 THR A 56 90.241 -3.632 13.222 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.489 -3.752 15.636 1.00 0.00 H new ATOM 0 HG22 THR A 56 89.332 -4.799 16.491 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.600 -5.520 15.473 1.00 0.00 H new ATOM 790 N THR A 57 85.919 -5.307 13.770 1.00 0.00 N ATOM 791 CA THR A 57 84.748 -5.102 12.852 1.00 0.00 C ATOM 792 C THR A 57 84.155 -3.714 13.091 1.00 0.00 C ATOM 793 O THR A 57 83.756 -3.376 14.186 1.00 0.00 O ATOM 794 CB THR A 57 83.672 -6.159 13.134 1.00 0.00 C ATOM 795 OG1 THR A 57 83.215 -6.020 14.472 1.00 0.00 O ATOM 796 CG2 THR A 57 84.262 -7.558 12.932 1.00 0.00 C ATOM 0 H THR A 57 85.748 -5.061 14.745 1.00 0.00 H new ATOM 0 HA THR A 57 85.084 -5.192 11.819 1.00 0.00 H new ATOM 0 HB THR A 57 82.835 -6.020 12.449 1.00 0.00 H new ATOM 0 HG1 THR A 57 83.261 -5.078 14.737 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.497 -8.308 13.133 1.00 0.00 H new ATOM 0 HG22 THR A 57 84.611 -7.661 11.904 1.00 0.00 H new ATOM 0 HG23 THR A 57 85.099 -7.702 13.615 1.00 0.00 H new ATOM 804 N SER A 58 84.083 -2.915 12.061 1.00 0.00 N ATOM 805 CA SER A 58 83.503 -1.545 12.192 1.00 0.00 C ATOM 806 C SER A 58 82.105 -1.561 11.574 1.00 0.00 C ATOM 807 O SER A 58 81.828 -2.352 10.698 1.00 0.00 O ATOM 808 CB SER A 58 84.390 -0.550 11.439 1.00 0.00 C ATOM 809 OG SER A 58 83.941 0.774 11.700 1.00 0.00 O ATOM 0 H SER A 58 84.405 -3.155 11.123 1.00 0.00 H new ATOM 0 HA SER A 58 83.446 -1.249 13.240 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.428 -0.662 11.752 1.00 0.00 H new ATOM 0 HB3 SER A 58 84.356 -0.753 10.369 1.00 0.00 H new ATOM 0 HG SER A 58 83.868 1.267 10.856 1.00 0.00 H new ATOM 815 N ASN A 59 81.218 -0.703 12.011 1.00 0.00 N ATOM 816 CA ASN A 59 79.838 -0.680 11.430 1.00 0.00 C ATOM 817 C ASN A 59 79.465 0.764 11.091 1.00 0.00 C ATOM 818 O ASN A 59 79.387 1.605 11.966 1.00 0.00 O ATOM 819 CB ASN A 59 78.836 -1.215 12.463 1.00 0.00 C ATOM 820 CG ASN A 59 79.386 -2.475 13.132 1.00 0.00 C ATOM 821 OD1 ASN A 59 79.054 -2.764 14.264 1.00 0.00 O ATOM 822 ND2 ASN A 59 80.218 -3.242 12.485 1.00 0.00 N ATOM 0 H ASN A 59 81.389 -0.016 12.746 1.00 0.00 H new ATOM 0 HA ASN A 59 79.811 -1.300 10.534 1.00 0.00 H new ATOM 0 HB2 ASN A 59 78.637 -0.452 13.216 1.00 0.00 H new ATOM 0 HB3 ASN A 59 77.886 -1.438 11.977 1.00 0.00 H new ATOM 0 HD21 ASN A 59 80.588 -4.082 12.930 1.00 0.00 H new ATOM 0 HD22 ASN A 59 80.499 -3.002 11.534 1.00 0.00 H new ATOM 829 N PHE A 60 79.206 1.053 9.835 1.00 0.00 N ATOM 830 CA PHE A 60 78.801 2.440 9.437 1.00 0.00 C ATOM 831 C PHE A 60 77.393 2.378 8.857 1.00 0.00 C ATOM 832 O PHE A 60 77.135 1.648 7.920 1.00 0.00 O ATOM 833 CB PHE A 60 79.769 2.999 8.388 1.00 0.00 C ATOM 834 CG PHE A 60 81.068 3.386 9.059 1.00 0.00 C ATOM 835 CD1 PHE A 60 81.096 4.466 9.952 1.00 0.00 C ATOM 836 CD2 PHE A 60 82.243 2.672 8.789 1.00 0.00 C ATOM 837 CE1 PHE A 60 82.295 4.832 10.574 1.00 0.00 C ATOM 838 CE2 PHE A 60 83.442 3.039 9.412 1.00 0.00 C ATOM 839 CZ PHE A 60 83.469 4.119 10.304 1.00 0.00 C ATOM 0 H PHE A 60 79.258 0.384 9.067 1.00 0.00 H new ATOM 0 HA PHE A 60 78.825 3.095 10.308 1.00 0.00 H new ATOM 0 HB2 PHE A 60 79.954 2.254 7.614 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.328 3.866 7.896 1.00 0.00 H new ATOM 0 HD1 PHE A 60 80.191 5.017 10.160 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.224 1.840 8.101 1.00 0.00 H new ATOM 0 HE1 PHE A 60 82.315 5.664 11.262 1.00 0.00 H new ATOM 0 HE2 PHE A 60 84.348 2.489 9.205 1.00 0.00 H new ATOM 0 HZ PHE A 60 84.395 4.401 10.783 1.00 0.00 H new ATOM 849 N LYS A 61 76.481 3.137 9.404 1.00 0.00 N ATOM 850 CA LYS A 61 75.086 3.138 8.901 1.00 0.00 C ATOM 851 C LYS A 61 74.809 4.487 8.255 1.00 0.00 C ATOM 852 O LYS A 61 75.301 5.512 8.681 1.00 0.00 O ATOM 853 CB LYS A 61 74.110 2.928 10.060 1.00 0.00 C ATOM 854 CG LYS A 61 72.681 2.904 9.511 1.00 0.00 C ATOM 855 CD LYS A 61 71.703 2.533 10.625 1.00 0.00 C ATOM 856 CE LYS A 61 70.270 2.606 10.089 1.00 0.00 C ATOM 857 NZ LYS A 61 69.327 2.066 11.106 1.00 0.00 N ATOM 0 H LYS A 61 76.651 3.764 10.190 1.00 0.00 H new ATOM 0 HA LYS A 61 74.956 2.333 8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.332 1.993 10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.218 3.728 10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.424 3.880 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.607 2.184 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 61 71.915 1.528 10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 61 71.822 3.212 11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 61 70.012 3.638 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 61 70.188 2.036 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 68.355 2.117 10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 69.568 1.076 11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 69.398 2.628 11.978 1.00 0.00 H new ATOM 871 N GLY A 62 74.026 4.483 7.233 1.00 0.00 N ATOM 872 CA GLY A 62 73.692 5.757 6.533 1.00 0.00 C ATOM 873 C GLY A 62 72.462 5.532 5.658 1.00 0.00 C ATOM 874 O GLY A 62 71.981 4.426 5.541 1.00 0.00 O ATOM 0 H GLY A 62 73.592 3.648 6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 62 73.499 6.547 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 62 74.534 6.084 5.923 1.00 0.00 H new ATOM 878 N VAL A 63 71.952 6.571 5.039 1.00 0.00 N ATOM 879 CA VAL A 63 70.748 6.424 4.154 1.00 0.00 C ATOM 880 C VAL A 63 71.106 6.859 2.736 1.00 0.00 C ATOM 881 O VAL A 63 71.623 7.935 2.516 1.00 0.00 O ATOM 882 CB VAL A 63 69.603 7.290 4.684 1.00 0.00 C ATOM 883 CG1 VAL A 63 68.399 7.168 3.748 1.00 0.00 C ATOM 884 CG2 VAL A 63 69.207 6.805 6.080 1.00 0.00 C ATOM 0 H VAL A 63 72.319 7.520 5.108 1.00 0.00 H new ATOM 0 HA VAL A 63 70.431 5.381 4.147 1.00 0.00 H new ATOM 0 HB VAL A 63 69.925 8.330 4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.582 7.784 4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.678 7.505 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 63 68.077 6.128 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 63 68.391 7.420 6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.883 5.766 6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 63 70.064 6.884 6.749 1.00 0.00 H new ATOM 894 N VAL A 64 70.846 6.021 1.766 1.00 0.00 N ATOM 895 CA VAL A 64 71.185 6.371 0.356 1.00 0.00 C ATOM 896 C VAL A 64 69.966 6.967 -0.350 1.00 0.00 C ATOM 897 O VAL A 64 68.929 6.335 -0.487 1.00 0.00 O ATOM 898 CB VAL A 64 71.635 5.108 -0.381 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.828 5.415 -1.873 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.958 4.616 0.221 1.00 0.00 C ATOM 0 H VAL A 64 70.412 5.106 1.891 1.00 0.00 H new ATOM 0 HA VAL A 64 71.988 7.108 0.354 1.00 0.00 H new ATOM 0 HB VAL A 64 70.874 4.335 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.148 4.512 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.886 5.763 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.587 6.189 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.283 3.716 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.717 5.391 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.815 4.391 1.278 1.00 0.00 H new ATOM 910 N THR A 65 70.106 8.181 -0.809 1.00 0.00 N ATOM 911 CA THR A 65 69.005 8.877 -1.536 1.00 0.00 C ATOM 912 C THR A 65 69.628 9.595 -2.740 1.00 0.00 C ATOM 913 O THR A 65 70.803 9.911 -2.725 1.00 0.00 O ATOM 914 CB THR A 65 68.343 9.896 -0.595 1.00 0.00 C ATOM 915 OG1 THR A 65 69.344 10.541 0.183 1.00 0.00 O ATOM 916 CG2 THR A 65 67.357 9.184 0.335 1.00 0.00 C ATOM 0 H THR A 65 70.958 8.733 -0.708 1.00 0.00 H new ATOM 0 HA THR A 65 68.246 8.170 -1.871 1.00 0.00 H new ATOM 0 HB THR A 65 67.806 10.635 -1.189 1.00 0.00 H new ATOM 0 HG1 THR A 65 69.809 11.205 -0.368 1.00 0.00 H new ATOM 0 HG21 THR A 65 66.892 9.913 0.999 1.00 0.00 H new ATOM 0 HG22 THR A 65 66.587 8.691 -0.259 1.00 0.00 H new ATOM 0 HG23 THR A 65 67.889 8.440 0.928 1.00 0.00 H new ATOM 924 N PRO A 66 68.876 9.857 -3.780 1.00 0.00 N ATOM 925 CA PRO A 66 69.411 10.548 -4.989 1.00 0.00 C ATOM 926 C PRO A 66 70.183 11.824 -4.617 1.00 0.00 C ATOM 927 O PRO A 66 70.759 12.479 -5.463 1.00 0.00 O ATOM 928 CB PRO A 66 68.152 10.868 -5.832 1.00 0.00 C ATOM 929 CG PRO A 66 66.986 10.614 -4.921 1.00 0.00 C ATOM 930 CD PRO A 66 67.449 9.542 -3.942 1.00 0.00 C ATOM 0 HA PRO A 66 70.128 9.934 -5.533 1.00 0.00 H new ATOM 0 HB2 PRO A 66 68.163 11.902 -6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 66 68.102 10.236 -6.719 1.00 0.00 H new ATOM 0 HG2 PRO A 66 66.695 11.524 -4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 66 66.115 10.279 -5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.911 9.597 -2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 66 67.297 8.538 -4.338 1.00 0.00 H new ATOM 938 N SER A 67 70.188 12.186 -3.360 1.00 0.00 N ATOM 939 CA SER A 67 70.912 13.420 -2.941 1.00 0.00 C ATOM 940 C SER A 67 72.429 13.202 -3.016 1.00 0.00 C ATOM 941 O SER A 67 73.143 13.982 -3.617 1.00 0.00 O ATOM 942 CB SER A 67 70.529 13.770 -1.503 1.00 0.00 C ATOM 943 OG SER A 67 70.777 12.646 -0.667 1.00 0.00 O ATOM 0 H SER A 67 69.722 11.680 -2.607 1.00 0.00 H new ATOM 0 HA SER A 67 70.635 14.233 -3.612 1.00 0.00 H new ATOM 0 HB2 SER A 67 71.106 14.629 -1.159 1.00 0.00 H new ATOM 0 HB3 SER A 67 69.477 14.051 -1.452 1.00 0.00 H new ATOM 0 HG SER A 67 70.534 12.865 0.257 1.00 0.00 H new ATOM 949 N THR A 68 72.937 12.156 -2.409 1.00 0.00 N ATOM 950 CA THR A 68 74.414 11.916 -2.454 1.00 0.00 C ATOM 951 C THR A 68 74.717 10.412 -2.269 1.00 0.00 C ATOM 952 O THR A 68 74.014 9.726 -1.554 1.00 0.00 O ATOM 953 CB THR A 68 75.087 12.703 -1.325 1.00 0.00 C ATOM 954 OG1 THR A 68 76.447 12.302 -1.216 1.00 0.00 O ATOM 955 CG2 THR A 68 74.361 12.430 -0.003 1.00 0.00 C ATOM 0 H THR A 68 72.398 11.464 -1.889 1.00 0.00 H new ATOM 0 HA THR A 68 74.797 12.242 -3.421 1.00 0.00 H new ATOM 0 HB THR A 68 75.039 13.769 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 68 76.880 12.806 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 68 74.842 12.991 0.799 1.00 0.00 H new ATOM 0 HG22 THR A 68 73.320 12.740 -0.089 1.00 0.00 H new ATOM 0 HG23 THR A 68 74.405 11.365 0.223 1.00 0.00 H new ATOM 963 N PRO A 69 75.762 9.898 -2.892 1.00 0.00 N ATOM 964 CA PRO A 69 76.147 8.458 -2.757 1.00 0.00 C ATOM 965 C PRO A 69 76.938 8.180 -1.464 1.00 0.00 C ATOM 966 O PRO A 69 77.449 9.086 -0.832 1.00 0.00 O ATOM 967 CB PRO A 69 77.031 8.222 -3.985 1.00 0.00 C ATOM 968 CG PRO A 69 77.704 9.536 -4.215 1.00 0.00 C ATOM 969 CD PRO A 69 76.690 10.612 -3.799 1.00 0.00 C ATOM 0 HA PRO A 69 75.277 7.803 -2.702 1.00 0.00 H new ATOM 0 HB2 PRO A 69 77.757 7.429 -3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 69 76.439 7.922 -4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 69 78.618 9.614 -3.627 1.00 0.00 H new ATOM 0 HG3 PRO A 69 77.987 9.651 -5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 69 77.178 11.446 -3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 69 76.167 11.023 -4.663 1.00 0.00 H new ATOM 977 N VAL A 70 77.046 6.928 -1.079 1.00 0.00 N ATOM 978 CA VAL A 70 77.808 6.551 0.161 1.00 0.00 C ATOM 979 C VAL A 70 78.907 5.550 -0.213 1.00 0.00 C ATOM 980 O VAL A 70 78.661 4.581 -0.903 1.00 0.00 O ATOM 981 CB VAL A 70 76.860 5.899 1.173 1.00 0.00 C ATOM 982 CG1 VAL A 70 77.641 5.514 2.429 1.00 0.00 C ATOM 983 CG2 VAL A 70 75.757 6.888 1.555 1.00 0.00 C ATOM 0 H VAL A 70 76.633 6.140 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 70 78.249 7.445 0.602 1.00 0.00 H new ATOM 0 HB VAL A 70 76.416 5.009 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.967 5.050 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 70 78.430 4.810 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 70 78.084 6.407 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 70 75.084 6.422 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 70 76.204 7.778 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 70 75.196 7.170 0.664 1.00 0.00 H new ATOM 993 N ASN A 71 80.121 5.774 0.226 1.00 0.00 N ATOM 994 CA ASN A 71 81.229 4.827 -0.114 1.00 0.00 C ATOM 995 C ASN A 71 81.336 3.748 0.966 1.00 0.00 C ATOM 996 O ASN A 71 81.206 4.023 2.143 1.00 0.00 O ATOM 997 CB ASN A 71 82.549 5.599 -0.189 1.00 0.00 C ATOM 998 CG ASN A 71 82.511 6.558 -1.379 1.00 0.00 C ATOM 999 OD1 ASN A 71 83.255 6.398 -2.326 1.00 0.00 O ATOM 1000 ND2 ASN A 71 81.666 7.551 -1.373 1.00 0.00 N ATOM 0 H ASN A 71 80.393 6.569 0.804 1.00 0.00 H new ATOM 0 HA ASN A 71 81.020 4.357 -1.075 1.00 0.00 H new ATOM 0 HB2 ASN A 71 82.711 6.155 0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 71 83.383 4.905 -0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 71 81.629 8.194 -2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 71 81.042 7.685 -0.578 1.00 0.00 H new ATOM 1007 N THR A 72 81.580 2.523 0.583 1.00 0.00 N ATOM 1008 CA THR A 72 81.706 1.435 1.592 1.00 0.00 C ATOM 1009 C THR A 72 83.096 1.485 2.192 1.00 0.00 C ATOM 1010 O THR A 72 83.276 1.475 3.394 1.00 0.00 O ATOM 1011 CB THR A 72 81.521 0.075 0.911 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.780 -0.404 0.453 1.00 0.00 O ATOM 1013 CG2 THR A 72 80.575 0.213 -0.284 1.00 0.00 C ATOM 0 H THR A 72 81.697 2.230 -0.387 1.00 0.00 H new ATOM 0 HA THR A 72 80.948 1.567 2.364 1.00 0.00 H new ATOM 0 HB THR A 72 81.097 -0.626 1.631 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.661 -1.275 0.019 1.00 0.00 H new ATOM 0 HG21 THR A 72 80.449 -0.758 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 72 79.606 0.577 0.059 1.00 0.00 H new ATOM 0 HG23 THR A 72 80.995 0.919 -1.001 1.00 0.00 H new ATOM 1021 N ASN A 73 84.085 1.527 1.350 1.00 0.00 N ATOM 1022 CA ASN A 73 85.475 1.566 1.845 1.00 0.00 C ATOM 1023 C ASN A 73 85.796 2.988 2.271 1.00 0.00 C ATOM 1024 O ASN A 73 86.715 3.611 1.775 1.00 0.00 O ATOM 1025 CB ASN A 73 86.424 1.123 0.737 1.00 0.00 C ATOM 1026 CG ASN A 73 86.205 -0.365 0.462 1.00 0.00 C ATOM 1027 OD1 ASN A 73 85.671 -1.074 1.294 1.00 0.00 O ATOM 1028 ND2 ASN A 73 86.589 -0.874 -0.674 1.00 0.00 N ATOM 0 H ASN A 73 83.985 1.536 0.335 1.00 0.00 H new ATOM 0 HA ASN A 73 85.592 0.893 2.694 1.00 0.00 H new ATOM 0 HB2 ASN A 73 86.244 1.704 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 73 87.458 1.304 1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 73 86.442 -1.865 -0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 73 87.037 -0.281 -1.373 1.00 0.00 H new ATOM 1035 N GLN A 74 85.033 3.503 3.191 1.00 0.00 N ATOM 1036 CA GLN A 74 85.271 4.896 3.676 1.00 0.00 C ATOM 1037 C GLN A 74 86.769 5.071 3.948 1.00 0.00 C ATOM 1038 O GLN A 74 87.352 6.093 3.644 1.00 0.00 O ATOM 1039 CB GLN A 74 84.466 5.124 4.968 1.00 0.00 C ATOM 1040 CG GLN A 74 84.208 6.621 5.179 1.00 0.00 C ATOM 1041 CD GLN A 74 85.523 7.398 5.059 1.00 0.00 C ATOM 1042 OE1 GLN A 74 85.634 8.305 4.258 1.00 0.00 O ATOM 1043 NE2 GLN A 74 86.531 7.079 5.826 1.00 0.00 N ATOM 0 H GLN A 74 84.250 3.020 3.632 1.00 0.00 H new ATOM 0 HA GLN A 74 84.952 5.621 2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 74 83.518 4.589 4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 74 85.011 4.719 5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 74 83.493 6.983 4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 74 83.765 6.788 6.161 1.00 0.00 H new ATOM 0 HE21 GLN A 74 86.439 6.318 6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 74 87.410 7.591 5.752 1.00 0.00 H new ATOM 1052 N ASP A 75 87.392 4.062 4.499 1.00 0.00 N ATOM 1053 CA ASP A 75 88.860 4.121 4.780 1.00 0.00 C ATOM 1054 C ASP A 75 89.577 3.191 3.790 1.00 0.00 C ATOM 1055 O ASP A 75 89.989 2.100 4.128 1.00 0.00 O ATOM 1056 CB ASP A 75 89.118 3.645 6.210 1.00 0.00 C ATOM 1057 CG ASP A 75 88.583 4.683 7.203 1.00 0.00 C ATOM 1058 OD1 ASP A 75 88.413 5.825 6.806 1.00 0.00 O ATOM 1059 OD2 ASP A 75 88.356 4.318 8.345 1.00 0.00 O ATOM 0 H ASP A 75 86.941 3.188 4.770 1.00 0.00 H new ATOM 0 HA ASP A 75 89.229 5.141 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 75 88.632 2.683 6.377 1.00 0.00 H new ATOM 0 HB3 ASP A 75 90.186 3.494 6.367 1.00 0.00 H new ATOM 1064 N ILE A 76 89.704 3.617 2.562 1.00 0.00 N ATOM 1065 CA ILE A 76 90.368 2.769 1.524 1.00 0.00 C ATOM 1066 C ILE A 76 91.808 2.468 1.924 1.00 0.00 C ATOM 1067 O ILE A 76 92.301 1.376 1.728 1.00 0.00 O ATOM 1068 CB ILE A 76 90.343 3.515 0.181 1.00 0.00 C ATOM 1069 CG1 ILE A 76 90.592 2.535 -0.981 1.00 0.00 C ATOM 1070 CG2 ILE A 76 91.412 4.616 0.160 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.391 1.593 -1.175 1.00 0.00 C ATOM 0 H ILE A 76 89.374 4.523 2.229 1.00 0.00 H new ATOM 0 HA ILE A 76 89.833 1.824 1.433 1.00 0.00 H new ATOM 0 HB ILE A 76 89.360 3.970 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 76 90.773 3.093 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 76 91.489 1.949 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 76 91.381 5.135 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 76 91.219 5.326 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 76 92.397 4.170 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 76 89.593 0.912 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 76 89.228 1.019 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 76 88.500 2.180 -1.398 1.00 0.00 H new ATOM 1083 N ASN A 77 92.487 3.430 2.469 1.00 0.00 N ATOM 1084 CA ASN A 77 93.902 3.183 2.862 1.00 0.00 C ATOM 1085 C ASN A 77 93.921 2.047 3.878 1.00 0.00 C ATOM 1086 O ASN A 77 94.698 1.127 3.766 1.00 0.00 O ATOM 1087 CB ASN A 77 94.506 4.449 3.479 1.00 0.00 C ATOM 1088 CG ASN A 77 95.960 4.181 3.876 1.00 0.00 C ATOM 1089 OD1 ASN A 77 96.772 3.815 3.049 1.00 0.00 O ATOM 1090 ND2 ASN A 77 96.326 4.350 5.119 1.00 0.00 N ATOM 0 H ASN A 77 92.133 4.367 2.659 1.00 0.00 H new ATOM 0 HA ASN A 77 94.493 2.915 1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 77 94.459 5.272 2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 77 93.929 4.751 4.353 1.00 0.00 H new ATOM 0 HD21 ASN A 77 97.292 4.175 5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 77 95.645 4.657 5.814 1.00 0.00 H new ATOM 1097 N LYS A 78 93.062 2.088 4.855 1.00 0.00 N ATOM 1098 CA LYS A 78 93.017 0.981 5.853 1.00 0.00 C ATOM 1099 C LYS A 78 92.689 -0.326 5.130 1.00 0.00 C ATOM 1100 O LYS A 78 93.335 -1.339 5.315 1.00 0.00 O ATOM 1101 CB LYS A 78 91.900 1.270 6.853 1.00 0.00 C ATOM 1102 CG LYS A 78 91.827 0.162 7.912 1.00 0.00 C ATOM 1103 CD LYS A 78 90.516 0.295 8.680 1.00 0.00 C ATOM 1104 CE LYS A 78 90.531 -0.654 9.881 1.00 0.00 C ATOM 1105 NZ LYS A 78 91.610 -0.247 10.826 1.00 0.00 N ATOM 0 H LYS A 78 92.389 2.839 5.008 1.00 0.00 H new ATOM 0 HA LYS A 78 93.977 0.900 6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 78 92.076 2.231 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 78 90.946 1.345 6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 78 91.887 -0.817 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 78 92.673 0.238 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 78 90.382 1.323 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 78 89.675 0.061 8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 78 89.565 -0.634 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.694 -1.678 9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 91.230 -0.213 11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 92.387 -0.937 10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 91.967 0.693 10.561 1.00 0.00 H new ATOM 1119 N THR A 79 91.658 -0.306 4.330 1.00 0.00 N ATOM 1120 CA THR A 79 91.236 -1.532 3.606 1.00 0.00 C ATOM 1121 C THR A 79 92.348 -2.004 2.659 1.00 0.00 C ATOM 1122 O THR A 79 92.619 -3.179 2.549 1.00 0.00 O ATOM 1123 CB THR A 79 89.933 -1.218 2.855 1.00 0.00 C ATOM 1124 OG1 THR A 79 88.833 -1.503 3.709 1.00 0.00 O ATOM 1125 CG2 THR A 79 89.807 -2.048 1.570 1.00 0.00 C ATOM 0 H THR A 79 91.086 0.518 4.147 1.00 0.00 H new ATOM 0 HA THR A 79 91.055 -2.349 4.305 1.00 0.00 H new ATOM 0 HB THR A 79 89.942 -0.165 2.574 1.00 0.00 H new ATOM 0 HG1 THR A 79 87.995 -1.305 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 79 88.873 -1.799 1.066 1.00 0.00 H new ATOM 0 HG22 THR A 79 90.646 -1.827 0.910 1.00 0.00 H new ATOM 0 HG23 THR A 79 89.812 -3.109 1.820 1.00 0.00 H new ATOM 1133 N ASN A 80 92.999 -1.111 1.980 1.00 0.00 N ATOM 1134 CA ASN A 80 94.087 -1.543 1.059 1.00 0.00 C ATOM 1135 C ASN A 80 95.233 -2.169 1.863 1.00 0.00 C ATOM 1136 O ASN A 80 95.911 -3.064 1.399 1.00 0.00 O ATOM 1137 CB ASN A 80 94.611 -0.337 0.277 1.00 0.00 C ATOM 1138 CG ASN A 80 95.588 -0.815 -0.799 1.00 0.00 C ATOM 1139 OD1 ASN A 80 95.211 -1.537 -1.700 1.00 0.00 O ATOM 1140 ND2 ASN A 80 96.837 -0.444 -0.739 1.00 0.00 N ATOM 0 H ASN A 80 92.830 -0.106 2.019 1.00 0.00 H new ATOM 0 HA ASN A 80 93.691 -2.282 0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 80 93.782 0.201 -0.182 1.00 0.00 H new ATOM 0 HB3 ASN A 80 95.108 0.360 0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 80 97.498 -0.760 -1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 80 97.153 0.162 0.018 1.00 0.00 H new ATOM 1147 N LYS A 81 95.467 -1.695 3.055 1.00 0.00 N ATOM 1148 CA LYS A 81 96.580 -2.247 3.878 1.00 0.00 C ATOM 1149 C LYS A 81 96.288 -3.692 4.280 1.00 0.00 C ATOM 1150 O LYS A 81 97.135 -4.556 4.167 1.00 0.00 O ATOM 1151 CB LYS A 81 96.717 -1.420 5.166 1.00 0.00 C ATOM 1152 CG LYS A 81 97.981 -1.845 5.947 1.00 0.00 C ATOM 1153 CD LYS A 81 97.784 -1.584 7.446 1.00 0.00 C ATOM 1154 CE LYS A 81 99.130 -1.686 8.165 1.00 0.00 C ATOM 1155 NZ LYS A 81 98.945 -1.355 9.606 1.00 0.00 N ATOM 0 H LYS A 81 94.933 -0.946 3.496 1.00 0.00 H new ATOM 0 HA LYS A 81 97.495 -2.207 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 81 96.773 -0.359 4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 81 95.833 -1.557 5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 81 98.185 -2.902 5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 81 98.846 -1.291 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 81 97.352 -0.595 7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 81 97.082 -2.307 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 81 99.536 -2.692 8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 81 99.850 -1.003 7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 99.859 -1.423 10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 98.575 -0.387 9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 98.272 -2.023 10.032 1.00 0.00 H new ATOM 1169 N VAL A 82 95.115 -3.943 4.809 1.00 0.00 N ATOM 1170 CA VAL A 82 94.776 -5.318 5.299 1.00 0.00 C ATOM 1171 C VAL A 82 93.658 -5.966 4.466 1.00 0.00 C ATOM 1172 O VAL A 82 93.577 -7.176 4.378 1.00 0.00 O ATOM 1173 CB VAL A 82 94.348 -5.186 6.764 1.00 0.00 C ATOM 1174 CG1 VAL A 82 92.994 -4.479 6.856 1.00 0.00 C ATOM 1175 CG2 VAL A 82 94.250 -6.568 7.397 1.00 0.00 C ATOM 0 H VAL A 82 94.374 -3.252 4.923 1.00 0.00 H new ATOM 0 HA VAL A 82 95.646 -5.967 5.201 1.00 0.00 H new ATOM 0 HB VAL A 82 95.092 -4.595 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 82 92.700 -4.391 7.902 1.00 0.00 H new ATOM 0 HG12 VAL A 82 93.072 -3.485 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 82 92.244 -5.057 6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 82 93.945 -6.470 8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 82 93.513 -7.164 6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 82 95.221 -7.060 7.348 1.00 0.00 H new ATOM 1185 N GLY A 83 92.801 -5.197 3.847 1.00 0.00 N ATOM 1186 CA GLY A 83 91.714 -5.811 3.029 1.00 0.00 C ATOM 1187 C GLY A 83 90.564 -6.238 3.938 1.00 0.00 C ATOM 1188 O GLY A 83 90.736 -6.449 5.123 1.00 0.00 O ATOM 0 H GLY A 83 92.806 -4.177 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 83 91.357 -5.097 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.099 -6.673 2.484 1.00 0.00 H new ATOM 1192 N VAL A 84 89.392 -6.376 3.378 1.00 0.00 N ATOM 1193 CA VAL A 84 88.197 -6.799 4.180 1.00 0.00 C ATOM 1194 C VAL A 84 87.875 -8.268 3.861 1.00 0.00 C ATOM 1195 O VAL A 84 87.629 -8.629 2.727 1.00 0.00 O ATOM 1196 CB VAL A 84 87.007 -5.914 3.804 1.00 0.00 C ATOM 1197 CG1 VAL A 84 85.839 -6.194 4.752 1.00 0.00 C ATOM 1198 CG2 VAL A 84 87.412 -4.443 3.919 1.00 0.00 C ATOM 0 H VAL A 84 89.205 -6.213 2.389 1.00 0.00 H new ATOM 0 HA VAL A 84 88.403 -6.696 5.246 1.00 0.00 H new ATOM 0 HB VAL A 84 86.703 -6.132 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 84 84.992 -5.563 4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 84 85.550 -7.242 4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.142 -5.977 5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 84 86.565 -3.811 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 84 87.716 -4.228 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.244 -4.241 3.244 1.00 0.00 H new ATOM 1208 N GLN A 85 87.899 -9.122 4.853 1.00 0.00 N ATOM 1209 CA GLN A 85 87.626 -10.571 4.606 1.00 0.00 C ATOM 1210 C GLN A 85 86.153 -10.815 4.250 1.00 0.00 C ATOM 1211 O GLN A 85 85.848 -11.368 3.213 1.00 0.00 O ATOM 1212 CB GLN A 85 87.965 -11.371 5.867 1.00 0.00 C ATOM 1213 CG GLN A 85 87.868 -12.868 5.560 1.00 0.00 C ATOM 1214 CD GLN A 85 88.205 -13.672 6.815 1.00 0.00 C ATOM 1215 OE1 GLN A 85 87.722 -13.373 7.890 1.00 0.00 O ATOM 1216 NE2 GLN A 85 89.015 -14.690 6.724 1.00 0.00 N ATOM 0 H GLN A 85 88.096 -8.878 5.824 1.00 0.00 H new ATOM 0 HA GLN A 85 88.243 -10.890 3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 85 88.970 -11.123 6.209 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.280 -11.108 6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.863 -13.115 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 85 88.553 -13.129 4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 85 89.420 -14.940 5.822 1.00 0.00 H new ATOM 0 HE22 GLN A 85 89.244 -15.236 7.555 1.00 0.00 H new ATOM 1225 N LYS A 86 85.238 -10.441 5.115 1.00 0.00 N ATOM 1226 CA LYS A 86 83.781 -10.686 4.847 1.00 0.00 C ATOM 1227 C LYS A 86 83.043 -9.357 4.664 1.00 0.00 C ATOM 1228 O LYS A 86 83.296 -8.395 5.358 1.00 0.00 O ATOM 1229 CB LYS A 86 83.177 -11.438 6.040 1.00 0.00 C ATOM 1230 CG LYS A 86 83.979 -12.718 6.324 1.00 0.00 C ATOM 1231 CD LYS A 86 83.914 -13.667 5.118 1.00 0.00 C ATOM 1232 CE LYS A 86 84.322 -15.076 5.552 1.00 0.00 C ATOM 1233 NZ LYS A 86 84.196 -16.008 4.396 1.00 0.00 N ATOM 0 H LYS A 86 85.438 -9.974 6.000 1.00 0.00 H new ATOM 0 HA LYS A 86 83.678 -11.275 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.178 -10.797 6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 86 82.137 -11.691 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 86 85.017 -12.464 6.540 1.00 0.00 H new ATOM 0 HG3 LYS A 86 83.581 -13.216 7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 86 82.905 -13.680 4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 86 84.576 -13.313 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 86 85.348 -15.072 5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 86 83.690 -15.412 6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 84.473 -16.966 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 83.210 -16.019 4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 84.817 -15.690 3.624 1.00 0.00 H new ATOM 1247 N TYR A 87 82.127 -9.304 3.725 1.00 0.00 N ATOM 1248 CA TYR A 87 81.343 -8.049 3.472 1.00 0.00 C ATOM 1249 C TYR A 87 79.849 -8.344 3.676 1.00 0.00 C ATOM 1250 O TYR A 87 79.318 -9.274 3.101 1.00 0.00 O ATOM 1251 CB TYR A 87 81.594 -7.605 2.026 1.00 0.00 C ATOM 1252 CG TYR A 87 80.862 -6.317 1.742 1.00 0.00 C ATOM 1253 CD1 TYR A 87 81.471 -5.088 2.027 1.00 0.00 C ATOM 1254 CD2 TYR A 87 79.573 -6.347 1.197 1.00 0.00 C ATOM 1255 CE1 TYR A 87 80.794 -3.892 1.766 1.00 0.00 C ATOM 1256 CE2 TYR A 87 78.895 -5.151 0.935 1.00 0.00 C ATOM 1257 CZ TYR A 87 79.505 -3.923 1.219 1.00 0.00 C ATOM 1258 OH TYR A 87 78.835 -2.744 0.964 1.00 0.00 O ATOM 0 H TYR A 87 81.886 -10.086 3.116 1.00 0.00 H new ATOM 0 HA TYR A 87 81.649 -7.259 4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 87 82.663 -7.469 1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.261 -8.381 1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 87 82.465 -5.064 2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.101 -7.294 0.979 1.00 0.00 H new ATOM 0 HE1 TYR A 87 81.265 -2.945 1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 87 77.901 -5.175 0.514 1.00 0.00 H new ATOM 0 HH TYR A 87 77.999 -2.938 0.490 1.00 0.00 H new ATOM 1268 N ARG A 88 79.165 -7.562 4.486 1.00 0.00 N ATOM 1269 CA ARG A 88 77.697 -7.802 4.725 1.00 0.00 C ATOM 1270 C ARG A 88 76.918 -6.488 4.553 1.00 0.00 C ATOM 1271 O ARG A 88 77.239 -5.488 5.159 1.00 0.00 O ATOM 1272 CB ARG A 88 77.492 -8.321 6.152 1.00 0.00 C ATOM 1273 CG ARG A 88 78.075 -9.731 6.276 1.00 0.00 C ATOM 1274 CD ARG A 88 77.863 -10.250 7.701 1.00 0.00 C ATOM 1275 NE ARG A 88 78.521 -11.578 7.850 1.00 0.00 N ATOM 1276 CZ ARG A 88 78.706 -12.088 9.039 1.00 0.00 C ATOM 1277 NH1 ARG A 88 78.339 -11.422 10.100 1.00 0.00 N ATOM 1278 NH2 ARG A 88 79.261 -13.263 9.168 1.00 0.00 N ATOM 0 H ARG A 88 79.559 -6.769 4.992 1.00 0.00 H new ATOM 0 HA ARG A 88 77.334 -8.537 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 88 77.975 -7.653 6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 88 76.430 -8.333 6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 88 77.595 -10.398 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 88 79.138 -9.718 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 88 78.277 -9.545 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 88 76.797 -10.335 7.914 1.00 0.00 H new ATOM 0 HE ARG A 88 78.828 -12.090 7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 88 77.908 -10.503 10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 88 78.484 -11.821 11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 88 79.551 -13.784 8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 88 79.405 -13.660 10.097 1.00 0.00 H new ATOM 1292 N ALA A 89 75.893 -6.494 3.728 1.00 0.00 N ATOM 1293 CA ALA A 89 75.071 -5.254 3.501 1.00 0.00 C ATOM 1294 C ALA A 89 73.585 -5.538 3.787 1.00 0.00 C ATOM 1295 O ALA A 89 73.081 -6.602 3.485 1.00 0.00 O ATOM 1296 CB ALA A 89 75.232 -4.800 2.047 1.00 0.00 C ATOM 0 H ALA A 89 75.588 -7.310 3.198 1.00 0.00 H new ATOM 0 HA ALA A 89 75.416 -4.470 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.638 -3.902 1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.282 -4.584 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 89 74.891 -5.591 1.379 1.00 0.00 H new ATOM 1302 N LEU A 90 72.886 -4.582 4.360 1.00 0.00 N ATOM 1303 CA LEU A 90 71.422 -4.762 4.672 1.00 0.00 C ATOM 1304 C LEU A 90 70.622 -3.610 4.046 1.00 0.00 C ATOM 1305 O LEU A 90 70.991 -2.462 4.162 1.00 0.00 O ATOM 1306 CB LEU A 90 71.230 -4.763 6.207 1.00 0.00 C ATOM 1307 CG LEU A 90 71.114 -6.209 6.730 1.00 0.00 C ATOM 1308 CD1 LEU A 90 71.500 -6.260 8.210 1.00 0.00 C ATOM 1309 CD2 LEU A 90 69.669 -6.704 6.575 1.00 0.00 C ATOM 0 H LEU A 90 73.269 -3.675 4.628 1.00 0.00 H new ATOM 0 HA LEU A 90 71.067 -5.707 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.071 -4.262 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 90 70.333 -4.201 6.469 1.00 0.00 H new ATOM 0 HG LEU A 90 71.785 -6.846 6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 90 71.416 -7.284 8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 90 72.527 -5.916 8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.832 -5.616 8.783 1.00 0.00 H new ATOM 0 HD21 LEU A 90 69.593 -7.726 6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 90 69.000 -6.060 7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 90 69.386 -6.678 5.523 1.00 0.00 H new ATOM 1321 N THR A 91 69.529 -3.914 3.380 1.00 0.00 N ATOM 1322 CA THR A 91 68.699 -2.834 2.737 1.00 0.00 C ATOM 1323 C THR A 91 67.227 -2.955 3.159 1.00 0.00 C ATOM 1324 O THR A 91 66.601 -3.985 3.008 1.00 0.00 O ATOM 1325 CB THR A 91 68.810 -2.949 1.215 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.408 -4.250 0.807 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.256 -2.704 0.785 1.00 0.00 C ATOM 0 H THR A 91 69.174 -4.862 3.253 1.00 0.00 H new ATOM 0 HA THR A 91 69.072 -1.863 3.063 1.00 0.00 H new ATOM 0 HB THR A 91 68.164 -2.205 0.749 1.00 0.00 H new ATOM 0 HG1 THR A 91 67.752 -4.604 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.332 -2.787 -0.299 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.564 -1.705 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 91 70.905 -3.445 1.252 1.00 0.00 H new ATOM 1335 N GLU A 92 66.684 -1.890 3.700 1.00 0.00 N ATOM 1336 CA GLU A 92 65.256 -1.890 4.162 1.00 0.00 C ATOM 1337 C GLU A 92 64.545 -0.622 3.658 1.00 0.00 C ATOM 1338 O GLU A 92 65.144 0.424 3.546 1.00 0.00 O ATOM 1339 CB GLU A 92 65.243 -1.919 5.693 1.00 0.00 C ATOM 1340 CG GLU A 92 63.808 -2.023 6.207 1.00 0.00 C ATOM 1341 CD GLU A 92 63.832 -2.267 7.719 1.00 0.00 C ATOM 1342 OE1 GLU A 92 64.911 -2.491 8.245 1.00 0.00 O ATOM 1343 OE2 GLU A 92 62.774 -2.231 8.325 1.00 0.00 O ATOM 0 H GLU A 92 67.176 -1.008 3.844 1.00 0.00 H new ATOM 0 HA GLU A 92 64.735 -2.762 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 92 65.828 -2.765 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 92 65.713 -1.017 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 92 63.261 -1.107 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 92 63.286 -2.837 5.703 1.00 0.00 H new ATOM 1350 N TRP A 93 63.268 -0.700 3.366 1.00 0.00 N ATOM 1351 CA TRP A 93 62.539 0.517 2.887 1.00 0.00 C ATOM 1352 C TRP A 93 62.407 1.515 4.039 1.00 0.00 C ATOM 1353 O TRP A 93 62.134 1.145 5.164 1.00 0.00 O ATOM 1354 CB TRP A 93 61.130 0.141 2.412 1.00 0.00 C ATOM 1355 CG TRP A 93 61.208 -0.689 1.173 1.00 0.00 C ATOM 1356 CD1 TRP A 93 60.842 -1.989 1.085 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.663 -0.299 -0.154 1.00 0.00 C ATOM 1358 NE1 TRP A 93 61.043 -2.422 -0.213 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.549 -1.416 -1.014 1.00 0.00 C ATOM 1360 CE3 TRP A 93 62.159 0.903 -0.689 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 61.912 -1.343 -2.356 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 62.524 0.981 -2.043 1.00 0.00 C ATOM 1363 CH2 TRP A 93 62.401 -0.142 -2.874 1.00 0.00 C ATOM 0 H TRP A 93 62.703 -1.546 3.438 1.00 0.00 H new ATOM 0 HA TRP A 93 63.099 0.956 2.061 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.609 -0.410 3.195 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.551 1.044 2.218 1.00 0.00 H new ATOM 0 HD1 TRP A 93 60.456 -2.590 1.895 1.00 0.00 H new ATOM 0 HE1 TRP A 93 60.842 -3.367 -0.539 1.00 0.00 H new ATOM 0 HE3 TRP A 93 62.260 1.771 -0.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 61.816 -2.210 -2.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 62.901 1.909 -2.446 1.00 0.00 H new ATOM 0 HH2 TRP A 93 62.684 -0.078 -3.914 1.00 0.00 H new ATOM 1374 N VAL A 94 62.578 2.782 3.756 1.00 0.00 N ATOM 1375 CA VAL A 94 62.449 3.833 4.814 1.00 0.00 C ATOM 1376 C VAL A 94 61.204 4.669 4.521 1.00 0.00 C ATOM 1377 O VAL A 94 61.098 5.287 3.475 1.00 0.00 O ATOM 1378 CB VAL A 94 63.680 4.741 4.783 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.596 5.772 5.917 1.00 0.00 C ATOM 1380 CG2 VAL A 94 64.942 3.896 4.963 1.00 0.00 C ATOM 0 H VAL A 94 62.804 3.138 2.827 1.00 0.00 H new ATOM 0 HA VAL A 94 62.368 3.365 5.795 1.00 0.00 H new ATOM 0 HB VAL A 94 63.717 5.259 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.475 6.415 5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.699 6.378 5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.554 5.256 6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 94 65.819 4.543 4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 94 64.898 3.376 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 94 65.009 3.166 4.156 1.00 0.00 H new ATOM 1390 N GLY A 95 60.268 4.694 5.434 1.00 0.00 N ATOM 1391 CA GLY A 95 59.028 5.488 5.214 1.00 0.00 C ATOM 1392 C GLY A 95 58.138 5.417 6.457 1.00 0.00 C ATOM 1393 O GLY A 95 58.492 4.823 7.455 1.00 0.00 O ATOM 0 H GLY A 95 60.311 4.197 6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.283 6.525 4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 95 58.489 5.105 4.348 1.00 0.00 H new ATOM 1397 N SER A 96 56.980 6.019 6.400 1.00 0.00 N ATOM 1398 CA SER A 96 56.063 5.988 7.574 1.00 0.00 C ATOM 1399 C SER A 96 55.511 4.571 7.743 1.00 0.00 C ATOM 1400 O SER A 96 55.090 3.941 6.794 1.00 0.00 O ATOM 1401 CB SER A 96 54.907 6.961 7.340 1.00 0.00 C ATOM 1402 OG SER A 96 55.402 8.295 7.360 1.00 0.00 O ATOM 0 H SER A 96 56.630 6.531 5.590 1.00 0.00 H new ATOM 0 HA SER A 96 56.606 6.279 8.473 1.00 0.00 H new ATOM 0 HB2 SER A 96 54.430 6.753 6.382 1.00 0.00 H new ATOM 0 HB3 SER A 96 54.147 6.832 8.110 1.00 0.00 H new ATOM 0 HG SER A 96 54.663 8.920 7.208 1.00 0.00 H new ATOM 1408 N ARG A 97 55.517 4.061 8.943 1.00 0.00 N ATOM 1409 CA ARG A 97 55.000 2.680 9.169 1.00 0.00 C ATOM 1410 C ARG A 97 53.475 2.666 9.029 1.00 0.00 C ATOM 1411 O ARG A 97 52.788 3.561 9.481 1.00 0.00 O ATOM 1412 CB ARG A 97 55.390 2.215 10.575 1.00 0.00 C ATOM 1413 CG ARG A 97 56.886 1.874 10.619 1.00 0.00 C ATOM 1414 CD ARG A 97 57.723 3.146 10.436 1.00 0.00 C ATOM 1415 NE ARG A 97 59.106 2.908 10.942 1.00 0.00 N ATOM 1416 CZ ARG A 97 59.390 3.099 12.203 1.00 0.00 C ATOM 1417 NH1 ARG A 97 58.456 3.468 13.038 1.00 0.00 N ATOM 1418 NH2 ARG A 97 60.610 2.914 12.632 1.00 0.00 N ATOM 0 H ARG A 97 55.857 4.539 9.777 1.00 0.00 H new ATOM 0 HA ARG A 97 55.433 2.008 8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 97 55.165 2.996 11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 97 54.801 1.341 10.855 1.00 0.00 H new ATOM 0 HG2 ARG A 97 57.131 1.402 11.570 1.00 0.00 H new ATOM 0 HG3 ARG A 97 57.126 1.156 9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 97 57.753 3.426 9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 97 57.265 3.976 10.974 1.00 0.00 H new ATOM 0 HE ARG A 97 59.834 2.594 10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 97 57.502 3.608 12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 97 58.681 3.616 14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 97 61.340 2.621 11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 97 60.833 3.063 13.616 1.00 0.00 H new ATOM 1432 N SER A 98 52.942 1.648 8.408 1.00 0.00 N ATOM 1433 CA SER A 98 51.466 1.565 8.239 1.00 0.00 C ATOM 1434 C SER A 98 50.833 1.061 9.539 1.00 0.00 C ATOM 1435 O SER A 98 50.583 1.880 10.410 1.00 0.00 O ATOM 1436 CB SER A 98 51.137 0.597 7.099 1.00 0.00 C ATOM 1437 OG SER A 98 51.555 -0.716 7.456 1.00 0.00 O ATOM 0 H SER A 98 53.468 0.870 8.010 1.00 0.00 H new ATOM 0 HA SER A 98 51.070 2.552 8.001 1.00 0.00 H new ATOM 0 HB2 SER A 98 50.066 0.607 6.897 1.00 0.00 H new ATOM 0 HB3 SER A 98 51.637 0.913 6.183 1.00 0.00 H new ATOM 0 HG SER A 98 51.343 -1.336 6.727 1.00 0.00 H new TER 1443 SER A 98