USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 651 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 83 ASN : amide:sc= -0.38 K(o=-0.88,f=-0.081) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.243 K(o=-0.88,f=-0.025) USER MOD Set 1.3: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 87 HIS : no HD1:sc= -0.255 K(o=-0.88,f=-0.025) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 27:sc= 0.011 USER MOD Single : A 48 ASN : amide:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 74 THR OG1 : rot -87:sc= -0.285! USER MOD Single : A 75 TYR OH : rot 120:sc= -0.0592 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -81:sc= 0.887 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 75:sc= 0.744 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc=-4.99e-05 X(o=-5e-05,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.68) USER MOD Single : A 109 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.33) USER MOD Single : A 110 ASN : amide:sc= -0.386 K(o=-0.39,f=-4.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 36 -18.598 -21.494 8.338 1.00 0.00 N ATOM 2 CA GLY A 36 -19.469 -21.016 9.448 1.00 0.00 C ATOM 3 C GLY A 36 -19.609 -19.507 9.459 1.00 0.00 C ATOM 4 O GLY A 36 -20.548 -18.963 8.878 1.00 0.00 O ATOM 0 HA2 GLY A 36 -20.456 -21.470 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.055 -21.347 10.400 1.00 0.00 H new ATOM 10 N GLU A 37 -18.667 -18.831 10.115 1.00 0.00 N ATOM 11 CA GLU A 37 -18.685 -17.372 10.193 1.00 0.00 C ATOM 12 C GLU A 37 -17.959 -16.744 9.000 1.00 0.00 C ATOM 13 O GLU A 37 -18.374 -15.699 8.495 1.00 0.00 O ATOM 14 CB GLU A 37 -18.062 -16.890 11.511 1.00 0.00 C ATOM 15 CG GLU A 37 -16.683 -17.468 11.804 1.00 0.00 C ATOM 16 CD GLU A 37 -15.660 -16.396 12.128 1.00 0.00 C ATOM 17 OE1 GLU A 37 -15.197 -15.713 11.190 1.00 0.00 O ATOM 18 OE2 GLU A 37 -15.323 -16.238 13.320 1.00 0.00 O ATOM 0 H GLU A 37 -17.884 -19.270 10.599 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.726 -17.052 10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -17.989 -15.803 11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -18.732 -17.148 12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.754 -18.162 12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.343 -18.042 10.942 1.00 0.00 H new ATOM 25 N ASN A 38 -16.881 -17.389 8.551 1.00 0.00 N ATOM 26 CA ASN A 38 -16.101 -16.896 7.417 1.00 0.00 C ATOM 27 C ASN A 38 -15.730 -18.037 6.471 1.00 0.00 C ATOM 28 O ASN A 38 -15.342 -19.121 6.914 1.00 0.00 O ATOM 29 CB ASN A 38 -14.834 -16.192 7.911 1.00 0.00 C ATOM 30 CG ASN A 38 -14.954 -14.680 7.858 1.00 0.00 C ATOM 31 OD1 ASN A 38 -15.716 -14.081 8.616 1.00 0.00 O ATOM 32 ND2 ASN A 38 -14.202 -14.054 6.959 1.00 0.00 N ATOM 0 H ASN A 38 -16.528 -18.256 8.957 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.715 -16.182 6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -14.626 -16.501 8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -13.986 -16.508 7.304 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -14.243 -13.038 6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -13.583 -14.589 6.350 1.00 0.00 H new ATOM 39 N SER A 39 -15.849 -17.785 5.166 1.00 0.00 N ATOM 40 CA SER A 39 -15.525 -18.788 4.154 1.00 0.00 C ATOM 41 C SER A 39 -14.921 -18.137 2.908 1.00 0.00 C ATOM 42 O SER A 39 -15.132 -16.949 2.657 1.00 0.00 O ATOM 43 CB SER A 39 -16.776 -19.584 3.776 1.00 0.00 C ATOM 44 OG SER A 39 -16.921 -20.726 4.602 1.00 0.00 O ATOM 0 H SER A 39 -16.168 -16.894 4.787 1.00 0.00 H new ATOM 0 HA SER A 39 -14.785 -19.467 4.577 1.00 0.00 H new ATOM 0 HB2 SER A 39 -17.657 -18.949 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 39 -16.714 -19.892 2.732 1.00 0.00 H new ATOM 0 HG SER A 39 -16.490 -20.561 5.467 1.00 0.00 H new ATOM 50 N ALA A 40 -14.169 -18.930 2.136 1.00 0.00 N ATOM 51 CA ALA A 40 -13.521 -18.450 0.911 1.00 0.00 C ATOM 52 C ALA A 40 -12.345 -17.522 1.227 1.00 0.00 C ATOM 53 O ALA A 40 -12.373 -16.785 2.213 1.00 0.00 O ATOM 54 CB ALA A 40 -14.528 -17.746 0.009 1.00 0.00 C ATOM 0 H ALA A 40 -13.994 -19.914 2.341 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.129 -19.319 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.026 -17.398 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.322 -18.442 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.957 -16.894 0.537 1.00 0.00 H new ATOM 60 N PRO A 41 -11.287 -17.547 0.390 1.00 0.00 N ATOM 61 CA PRO A 41 -10.101 -16.707 0.588 1.00 0.00 C ATOM 62 C PRO A 41 -10.354 -15.241 0.248 1.00 0.00 C ATOM 63 O PRO A 41 -10.893 -14.924 -0.814 1.00 0.00 O ATOM 64 CB PRO A 41 -9.077 -17.306 -0.376 1.00 0.00 C ATOM 65 CG PRO A 41 -9.893 -17.919 -1.460 1.00 0.00 C ATOM 66 CD PRO A 41 -11.166 -18.397 -0.811 1.00 0.00 C ATOM 0 HA PRO A 41 -9.780 -16.703 1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.408 -16.541 -0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.454 -18.050 0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.105 -17.193 -2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.360 -18.747 -1.927 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.023 -18.278 -1.474 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.110 -19.454 -0.550 1.00 0.00 H new ATOM 74 N VAL A 42 -9.952 -14.354 1.154 1.00 0.00 N ATOM 75 CA VAL A 42 -10.122 -12.921 0.955 1.00 0.00 C ATOM 76 C VAL A 42 -8.802 -12.185 1.193 1.00 0.00 C ATOM 77 O VAL A 42 -8.280 -12.170 2.310 1.00 0.00 O ATOM 78 CB VAL A 42 -11.226 -12.348 1.877 1.00 0.00 C ATOM 79 CG1 VAL A 42 -10.866 -12.531 3.345 1.00 0.00 C ATOM 80 CG2 VAL A 42 -11.484 -10.882 1.556 1.00 0.00 C ATOM 0 H VAL A 42 -9.505 -14.605 2.036 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.432 -12.767 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.145 -12.904 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.660 -12.119 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.749 -13.593 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.931 -12.012 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.263 -10.497 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.568 -10.310 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -11.806 -10.788 0.519 1.00 0.00 H new ATOM 90 N GLY A 43 -8.256 -11.595 0.129 1.00 0.00 N ATOM 91 CA GLY A 43 -6.991 -10.883 0.236 1.00 0.00 C ATOM 92 C GLY A 43 -5.799 -11.751 -0.135 1.00 0.00 C ATOM 93 O GLY A 43 -4.830 -11.261 -0.713 1.00 0.00 O ATOM 0 H GLY A 43 -8.667 -11.598 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.015 -10.008 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.868 -10.520 1.256 1.00 0.00 H new ATOM 97 N ALA A 44 -5.873 -13.045 0.191 1.00 0.00 N ATOM 98 CA ALA A 44 -4.793 -13.985 -0.117 1.00 0.00 C ATOM 99 C ALA A 44 -4.606 -14.152 -1.627 1.00 0.00 C ATOM 100 O ALA A 44 -3.482 -14.324 -2.101 1.00 0.00 O ATOM 101 CB ALA A 44 -5.063 -15.337 0.529 1.00 0.00 C ATOM 0 H ALA A 44 -6.671 -13.465 0.669 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.871 -13.572 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.251 -16.023 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.130 -15.217 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.002 -15.740 0.150 1.00 0.00 H new ATOM 107 N ALA A 45 -5.712 -14.097 -2.377 1.00 0.00 N ATOM 108 CA ALA A 45 -5.663 -14.241 -3.833 1.00 0.00 C ATOM 109 C ALA A 45 -4.743 -13.194 -4.468 1.00 0.00 C ATOM 110 O ALA A 45 -4.150 -13.438 -5.520 1.00 0.00 O ATOM 111 CB ALA A 45 -7.064 -14.151 -4.429 1.00 0.00 C ATOM 0 H ALA A 45 -6.649 -13.954 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.252 -15.226 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.006 -14.260 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.686 -14.945 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.502 -13.183 -4.185 1.00 0.00 H new ATOM 117 N ILE A 46 -4.623 -12.034 -3.818 1.00 0.00 N ATOM 118 CA ILE A 46 -3.768 -10.957 -4.317 1.00 0.00 C ATOM 119 C ILE A 46 -2.504 -10.798 -3.466 1.00 0.00 C ATOM 120 O ILE A 46 -1.478 -10.324 -3.956 1.00 0.00 O ATOM 121 CB ILE A 46 -4.513 -9.601 -4.388 1.00 0.00 C ATOM 122 CG1 ILE A 46 -5.503 -9.432 -3.223 1.00 0.00 C ATOM 123 CG2 ILE A 46 -5.228 -9.469 -5.725 1.00 0.00 C ATOM 124 CD1 ILE A 46 -6.820 -10.162 -3.410 1.00 0.00 C ATOM 0 H ILE A 46 -5.107 -11.818 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.482 -11.246 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.772 -8.806 -4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.031 -9.787 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.706 -8.370 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.749 -8.513 -5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.499 -9.520 -6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.948 -10.280 -5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.458 -9.989 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.317 -9.791 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.632 -11.231 -3.515 1.00 0.00 H new ATOM 136 N ALA A 47 -2.575 -11.207 -2.197 1.00 0.00 N ATOM 137 CA ALA A 47 -1.428 -11.118 -1.293 1.00 0.00 C ATOM 138 C ALA A 47 -0.282 -12.021 -1.755 1.00 0.00 C ATOM 139 O ALA A 47 0.882 -11.762 -1.448 1.00 0.00 O ATOM 140 CB ALA A 47 -1.841 -11.477 0.127 1.00 0.00 C ATOM 0 H ALA A 47 -3.414 -11.603 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.072 -10.088 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.976 -11.406 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.614 -10.787 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.229 -12.495 0.147 1.00 0.00 H new ATOM 146 N ASN A 48 -0.616 -13.076 -2.504 1.00 0.00 N ATOM 147 CA ASN A 48 0.388 -14.007 -3.016 1.00 0.00 C ATOM 148 C ASN A 48 1.091 -13.443 -4.258 1.00 0.00 C ATOM 149 O ASN A 48 2.052 -14.034 -4.755 1.00 0.00 O ATOM 150 CB ASN A 48 -0.253 -15.359 -3.347 1.00 0.00 C ATOM 151 CG ASN A 48 0.079 -16.426 -2.320 1.00 0.00 C ATOM 152 OD1 ASN A 48 -0.811 -16.993 -1.690 1.00 0.00 O ATOM 153 ND2 ASN A 48 1.368 -16.706 -2.147 1.00 0.00 N ATOM 0 H ASN A 48 -1.574 -13.305 -2.768 1.00 0.00 H new ATOM 0 HA ASN A 48 1.136 -14.148 -2.236 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.335 -15.240 -3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.086 -15.687 -4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.649 -17.415 -1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.075 -16.211 -2.691 1.00 0.00 H new ATOM 160 N PHE A 49 0.614 -12.297 -4.754 1.00 0.00 N ATOM 161 CA PHE A 49 1.202 -11.659 -5.927 1.00 0.00 C ATOM 162 C PHE A 49 2.210 -10.573 -5.524 1.00 0.00 C ATOM 163 O PHE A 49 2.409 -9.596 -6.250 1.00 0.00 O ATOM 164 CB PHE A 49 0.097 -11.060 -6.802 1.00 0.00 C ATOM 165 CG PHE A 49 0.096 -11.581 -8.213 1.00 0.00 C ATOM 166 CD1 PHE A 49 -0.395 -12.845 -8.499 1.00 0.00 C ATOM 167 CD2 PHE A 49 0.586 -10.805 -9.251 1.00 0.00 C ATOM 168 CE1 PHE A 49 -0.396 -13.325 -9.795 1.00 0.00 C ATOM 169 CE2 PHE A 49 0.588 -11.281 -10.548 1.00 0.00 C ATOM 170 CZ PHE A 49 0.096 -12.542 -10.821 1.00 0.00 C ATOM 0 H PHE A 49 -0.180 -11.794 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 49 1.739 -12.418 -6.495 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.870 -11.270 -6.345 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.210 -9.976 -6.824 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.781 -13.461 -7.701 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.971 -9.817 -9.044 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.781 -14.312 -10.005 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.974 -10.667 -11.348 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.096 -12.915 -11.834 1.00 0.00 H new ATOM 180 N LEU A 50 2.850 -10.757 -4.367 1.00 0.00 N ATOM 181 CA LEU A 50 3.841 -9.807 -3.870 1.00 0.00 C ATOM 182 C LEU A 50 5.095 -10.547 -3.410 1.00 0.00 C ATOM 183 O LEU A 50 5.005 -11.652 -2.871 1.00 0.00 O ATOM 184 CB LEU A 50 3.261 -8.982 -2.714 1.00 0.00 C ATOM 185 CG LEU A 50 2.053 -8.111 -3.074 1.00 0.00 C ATOM 186 CD1 LEU A 50 0.805 -8.605 -2.358 1.00 0.00 C ATOM 187 CD2 LEU A 50 2.322 -6.653 -2.731 1.00 0.00 C ATOM 0 H LEU A 50 2.697 -11.560 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 50 4.108 -9.129 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.972 -9.662 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.047 -8.339 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 50 1.886 -8.186 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.042 -7.974 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.599 -9.634 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.963 -8.562 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.452 -6.051 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.517 -6.561 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.189 -6.302 -3.290 1.00 0.00 H new ATOM 199 N GLU A 51 6.262 -9.940 -3.631 1.00 0.00 N ATOM 200 CA GLU A 51 7.532 -10.554 -3.242 1.00 0.00 C ATOM 201 C GLU A 51 7.590 -10.802 -1.735 1.00 0.00 C ATOM 202 O GLU A 51 7.032 -10.034 -0.950 1.00 0.00 O ATOM 203 CB GLU A 51 8.708 -9.672 -3.671 1.00 0.00 C ATOM 204 CG GLU A 51 8.912 -9.618 -5.177 1.00 0.00 C ATOM 205 CD GLU A 51 9.503 -10.899 -5.735 1.00 0.00 C ATOM 206 OE1 GLU A 51 8.771 -11.909 -5.810 1.00 0.00 O ATOM 207 OE2 GLU A 51 10.698 -10.892 -6.095 1.00 0.00 O ATOM 0 H GLU A 51 6.354 -9.027 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 51 7.604 -11.516 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.547 -8.660 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.619 -10.043 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.956 -9.423 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.569 -8.783 -5.421 1.00 0.00 H new ATOM 214 N PRO A 52 8.274 -11.886 -1.312 1.00 0.00 N ATOM 215 CA PRO A 52 8.406 -12.237 0.108 1.00 0.00 C ATOM 216 C PRO A 52 9.105 -11.144 0.915 1.00 0.00 C ATOM 217 O PRO A 52 8.653 -10.784 2.002 1.00 0.00 O ATOM 218 CB PRO A 52 9.250 -13.519 0.097 1.00 0.00 C ATOM 219 CG PRO A 52 9.915 -13.538 -1.237 1.00 0.00 C ATOM 220 CD PRO A 52 8.970 -12.851 -2.181 1.00 0.00 C ATOM 0 HA PRO A 52 7.432 -12.363 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.984 -13.514 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.627 -14.402 0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.875 -13.022 -1.202 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.114 -14.560 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 52 9.501 -12.353 -2.992 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.275 -13.555 -2.640 1.00 0.00 H new ATOM 228 N GLN A 53 10.204 -10.615 0.373 1.00 0.00 N ATOM 229 CA GLN A 53 10.955 -9.557 1.046 1.00 0.00 C ATOM 230 C GLN A 53 10.096 -8.304 1.205 1.00 0.00 C ATOM 231 O GLN A 53 10.083 -7.681 2.267 1.00 0.00 O ATOM 232 CB GLN A 53 12.231 -9.222 0.268 1.00 0.00 C ATOM 233 CG GLN A 53 13.414 -10.109 0.626 1.00 0.00 C ATOM 234 CD GLN A 53 14.204 -9.574 1.806 1.00 0.00 C ATOM 235 OE1 GLN A 53 15.093 -8.740 1.643 1.00 0.00 O ATOM 236 NE2 GLN A 53 13.882 -10.052 3.003 1.00 0.00 N ATOM 0 H GLN A 53 10.591 -10.901 -0.526 1.00 0.00 H new ATOM 0 HA GLN A 53 11.233 -9.918 2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.030 -9.312 -0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.498 -8.182 0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.055 -11.112 0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.072 -10.198 -0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.137 -10.743 3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.379 -9.728 3.832 1.00 0.00 H new ATOM 245 N ALA A 54 9.373 -7.947 0.142 1.00 0.00 N ATOM 246 CA ALA A 54 8.503 -6.775 0.163 1.00 0.00 C ATOM 247 C ALA A 54 7.344 -6.970 1.139 1.00 0.00 C ATOM 248 O ALA A 54 7.005 -6.063 1.900 1.00 0.00 O ATOM 249 CB ALA A 54 7.977 -6.482 -1.234 1.00 0.00 C ATOM 0 H ALA A 54 9.374 -8.454 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 54 9.091 -5.922 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.330 -5.606 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.814 -6.291 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.410 -7.339 -1.596 1.00 0.00 H new ATOM 255 N LEU A 55 6.744 -8.161 1.112 1.00 0.00 N ATOM 256 CA LEU A 55 5.626 -8.480 1.999 1.00 0.00 C ATOM 257 C LEU A 55 6.065 -8.460 3.463 1.00 0.00 C ATOM 258 O LEU A 55 5.298 -8.061 4.340 1.00 0.00 O ATOM 259 CB LEU A 55 5.033 -9.850 1.649 1.00 0.00 C ATOM 260 CG LEU A 55 3.985 -9.842 0.530 1.00 0.00 C ATOM 261 CD1 LEU A 55 3.522 -11.259 0.223 1.00 0.00 C ATOM 262 CD2 LEU A 55 2.800 -8.962 0.909 1.00 0.00 C ATOM 0 H LEU A 55 7.014 -8.920 0.486 1.00 0.00 H new ATOM 0 HA LEU A 55 4.860 -7.717 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.846 -10.516 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.580 -10.272 2.546 1.00 0.00 H new ATOM 0 HG LEU A 55 4.445 -9.428 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.778 -11.234 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.374 -11.859 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.081 -11.700 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.068 -8.970 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.340 -9.344 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.144 -7.941 1.077 1.00 0.00 H new ATOM 274 N GLU A 56 7.301 -8.895 3.722 1.00 0.00 N ATOM 275 CA GLU A 56 7.833 -8.925 5.082 1.00 0.00 C ATOM 276 C GLU A 56 7.828 -7.530 5.710 1.00 0.00 C ATOM 277 O GLU A 56 7.377 -7.356 6.843 1.00 0.00 O ATOM 278 CB GLU A 56 9.254 -9.501 5.089 1.00 0.00 C ATOM 279 CG GLU A 56 9.644 -10.143 6.414 1.00 0.00 C ATOM 280 CD GLU A 56 9.111 -11.558 6.572 1.00 0.00 C ATOM 281 OE1 GLU A 56 8.029 -11.858 6.022 1.00 0.00 O ATOM 282 OE2 GLU A 56 9.779 -12.368 7.249 1.00 0.00 O ATOM 0 H GLU A 56 7.948 -9.230 3.008 1.00 0.00 H new ATOM 0 HA GLU A 56 7.186 -9.569 5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.340 -10.243 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.961 -8.704 4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.731 -10.159 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.271 -9.527 7.233 1.00 0.00 H new ATOM 289 N ARG A 57 8.322 -6.537 4.967 1.00 0.00 N ATOM 290 CA ARG A 57 8.360 -5.162 5.457 1.00 0.00 C ATOM 291 C ARG A 57 6.965 -4.539 5.431 1.00 0.00 C ATOM 292 O ARG A 57 6.626 -3.730 6.297 1.00 0.00 O ATOM 293 CB ARG A 57 9.335 -4.324 4.623 1.00 0.00 C ATOM 294 CG ARG A 57 9.260 -2.829 4.902 1.00 0.00 C ATOM 295 CD ARG A 57 8.366 -2.120 3.896 1.00 0.00 C ATOM 296 NE ARG A 57 9.089 -1.781 2.672 1.00 0.00 N ATOM 297 CZ ARG A 57 9.048 -2.505 1.549 1.00 0.00 C ATOM 298 NH1 ARG A 57 8.277 -3.588 1.465 1.00 0.00 N ATOM 299 NH2 ARG A 57 9.779 -2.140 0.504 1.00 0.00 N ATOM 0 H ARG A 57 8.699 -6.661 4.028 1.00 0.00 H new ATOM 0 HA ARG A 57 8.709 -5.177 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.351 -4.669 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.134 -4.497 3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.878 -2.664 5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.261 -2.400 4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.517 -2.758 3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.964 -1.211 4.344 1.00 0.00 H new ATOM 0 HE ARG A 57 9.662 -0.937 2.675 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.709 -3.873 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.254 -4.132 0.603 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.369 -1.310 0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.751 -2.689 -0.355 1.00 0.00 H new ATOM 313 N LEU A 58 6.158 -4.923 4.436 1.00 0.00 N ATOM 314 CA LEU A 58 4.796 -4.405 4.306 1.00 0.00 C ATOM 315 C LEU A 58 3.985 -4.684 5.573 1.00 0.00 C ATOM 316 O LEU A 58 3.165 -3.866 5.987 1.00 0.00 O ATOM 317 CB LEU A 58 4.098 -5.020 3.088 1.00 0.00 C ATOM 318 CG LEU A 58 2.665 -4.534 2.840 1.00 0.00 C ATOM 319 CD1 LEU A 58 2.632 -3.024 2.653 1.00 0.00 C ATOM 320 CD2 LEU A 58 2.066 -5.237 1.629 1.00 0.00 C ATOM 0 H LEU A 58 6.426 -5.589 3.712 1.00 0.00 H new ATOM 0 HA LEU A 58 4.859 -3.326 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.695 -4.807 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.081 -6.103 3.208 1.00 0.00 H new ATOM 0 HG LEU A 58 2.064 -4.781 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.606 -2.701 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.018 -2.538 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.249 -2.750 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.049 -4.880 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.670 -5.022 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.050 -6.313 1.804 1.00 0.00 H new ATOM 332 N SER A 59 4.229 -5.841 6.192 1.00 0.00 N ATOM 333 CA SER A 59 3.532 -6.212 7.419 1.00 0.00 C ATOM 334 C SER A 59 3.910 -5.261 8.555 1.00 0.00 C ATOM 335 O SER A 59 3.060 -4.866 9.353 1.00 0.00 O ATOM 336 CB SER A 59 3.864 -7.656 7.811 1.00 0.00 C ATOM 337 OG SER A 59 2.969 -8.571 7.200 1.00 0.00 O ATOM 0 H SER A 59 4.902 -6.533 5.863 1.00 0.00 H new ATOM 0 HA SER A 59 2.460 -6.137 7.239 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.886 -7.890 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.814 -7.762 8.895 1.00 0.00 H new ATOM 0 HG SER A 59 3.204 -9.485 7.465 1.00 0.00 H new ATOM 343 N ARG A 60 5.193 -4.895 8.614 1.00 0.00 N ATOM 344 CA ARG A 60 5.693 -3.988 9.646 1.00 0.00 C ATOM 345 C ARG A 60 5.037 -2.611 9.542 1.00 0.00 C ATOM 346 O ARG A 60 4.613 -2.045 10.551 1.00 0.00 O ATOM 347 CB ARG A 60 7.217 -3.852 9.544 1.00 0.00 C ATOM 348 CG ARG A 60 7.833 -3.010 10.653 1.00 0.00 C ATOM 349 CD ARG A 60 9.298 -3.360 10.876 1.00 0.00 C ATOM 350 NE ARG A 60 10.186 -2.242 10.559 1.00 0.00 N ATOM 351 CZ ARG A 60 10.588 -1.933 9.323 1.00 0.00 C ATOM 352 NH1 ARG A 60 10.176 -2.647 8.279 1.00 0.00 N ATOM 353 NH2 ARG A 60 11.405 -0.903 9.131 1.00 0.00 N ATOM 0 H ARG A 60 5.905 -5.215 7.957 1.00 0.00 H new ATOM 0 HA ARG A 60 5.436 -4.414 10.616 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.664 -4.846 9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.469 -3.409 8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.745 -1.954 10.400 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.277 -3.163 11.578 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.445 -3.656 11.915 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.563 -4.219 10.259 1.00 0.00 H new ATOM 0 HE ARG A 60 10.519 -1.662 11.329 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.548 -3.438 8.418 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.488 -2.403 7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.724 -0.350 9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.713 -0.665 8.188 1.00 0.00 H new ATOM 367 N VAL A 61 4.952 -2.074 8.322 1.00 0.00 N ATOM 368 CA VAL A 61 4.339 -0.763 8.111 1.00 0.00 C ATOM 369 C VAL A 61 2.852 -0.786 8.475 1.00 0.00 C ATOM 370 O VAL A 61 2.344 0.162 9.071 1.00 0.00 O ATOM 371 CB VAL A 61 4.526 -0.240 6.663 1.00 0.00 C ATOM 372 CG1 VAL A 61 3.948 -1.201 5.636 1.00 0.00 C ATOM 373 CG2 VAL A 61 3.913 1.146 6.509 1.00 0.00 C ATOM 0 H VAL A 61 5.297 -2.523 7.474 1.00 0.00 H new ATOM 0 HA VAL A 61 4.858 -0.072 8.775 1.00 0.00 H new ATOM 0 HB VAL A 61 5.598 -0.170 6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.099 -0.798 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.449 -2.166 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.881 -1.329 5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.055 1.495 5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.847 1.099 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.398 1.837 7.199 1.00 0.00 H new ATOM 383 N ALA A 62 2.165 -1.876 8.120 1.00 0.00 N ATOM 384 CA ALA A 62 0.736 -2.024 8.419 1.00 0.00 C ATOM 385 C ALA A 62 0.439 -1.799 9.906 1.00 0.00 C ATOM 386 O ALA A 62 -0.635 -1.308 10.258 1.00 0.00 O ATOM 387 CB ALA A 62 0.242 -3.400 7.991 1.00 0.00 C ATOM 0 H ALA A 62 2.574 -2.669 7.626 1.00 0.00 H new ATOM 0 HA ALA A 62 0.204 -1.259 7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.820 -3.493 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.394 -3.524 6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.798 -4.169 8.528 1.00 0.00 H new ATOM 393 N LEU A 63 1.393 -2.153 10.775 1.00 0.00 N ATOM 394 CA LEU A 63 1.219 -1.977 12.219 1.00 0.00 C ATOM 395 C LEU A 63 1.252 -0.497 12.600 1.00 0.00 C ATOM 396 O LEU A 63 0.622 -0.084 13.574 1.00 0.00 O ATOM 397 CB LEU A 63 2.311 -2.725 12.995 1.00 0.00 C ATOM 398 CG LEU A 63 2.031 -4.209 13.251 1.00 0.00 C ATOM 399 CD1 LEU A 63 2.666 -5.070 12.169 1.00 0.00 C ATOM 400 CD2 LEU A 63 2.537 -4.621 14.628 1.00 0.00 C ATOM 0 H LEU A 63 2.288 -2.561 10.504 1.00 0.00 H new ATOM 0 HA LEU A 63 0.245 -2.389 12.483 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.248 -2.638 12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.457 -2.229 13.954 1.00 0.00 H new ATOM 0 HG LEU A 63 0.952 -4.362 13.222 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.455 -6.120 12.370 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.254 -4.796 11.198 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.744 -4.911 12.164 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.329 -5.678 14.791 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.612 -4.450 14.687 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.033 -4.030 15.393 1.00 0.00 H new ATOM 412 N VAL A 64 1.996 0.293 11.828 1.00 0.00 N ATOM 413 CA VAL A 64 2.120 1.726 12.083 1.00 0.00 C ATOM 414 C VAL A 64 1.104 2.522 11.263 1.00 0.00 C ATOM 415 O VAL A 64 0.316 3.290 11.816 1.00 0.00 O ATOM 416 CB VAL A 64 3.542 2.252 11.772 1.00 0.00 C ATOM 417 CG1 VAL A 64 4.019 3.169 12.884 1.00 0.00 C ATOM 418 CG2 VAL A 64 4.531 1.110 11.562 1.00 0.00 C ATOM 0 H VAL A 64 2.523 -0.036 11.019 1.00 0.00 H new ATOM 0 HA VAL A 64 1.922 1.867 13.146 1.00 0.00 H new ATOM 0 HB VAL A 64 3.491 2.818 10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.020 3.532 12.652 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.338 4.016 12.975 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.041 2.619 13.825 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.518 1.519 11.346 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.580 0.501 12.464 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.202 0.493 10.725 1.00 0.00 H new ATOM 428 N ARG A 65 1.128 2.331 9.943 1.00 0.00 N ATOM 429 CA ARG A 65 0.209 3.028 9.047 1.00 0.00 C ATOM 430 C ARG A 65 -0.481 2.042 8.109 1.00 0.00 C ATOM 431 O ARG A 65 -0.015 1.796 6.994 1.00 0.00 O ATOM 432 CB ARG A 65 0.948 4.092 8.230 1.00 0.00 C ATOM 433 CG ARG A 65 1.723 5.091 9.073 1.00 0.00 C ATOM 434 CD ARG A 65 0.800 5.916 9.956 1.00 0.00 C ATOM 435 NE ARG A 65 1.298 7.278 10.151 1.00 0.00 N ATOM 436 CZ ARG A 65 0.895 8.088 11.134 1.00 0.00 C ATOM 437 NH1 ARG A 65 -0.012 7.682 12.018 1.00 0.00 N ATOM 438 NH2 ARG A 65 1.404 9.312 11.234 1.00 0.00 N ATOM 0 H ARG A 65 1.775 1.699 9.472 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.547 3.519 9.660 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.638 3.596 7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.226 4.632 7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.444 4.561 9.695 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.292 5.754 8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.192 5.954 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.693 5.427 10.924 1.00 0.00 H new ATOM 0 HE ARG A 65 1.996 7.631 9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.407 6.744 11.949 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.313 8.309 12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.101 9.631 10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.098 9.932 11.984 1.00 0.00 H new ATOM 452 N ARG A 66 -1.598 1.483 8.569 1.00 0.00 N ATOM 453 CA ARG A 66 -2.363 0.524 7.773 1.00 0.00 C ATOM 454 C ARG A 66 -2.853 1.148 6.465 1.00 0.00 C ATOM 455 O ARG A 66 -2.986 0.456 5.457 1.00 0.00 O ATOM 456 CB ARG A 66 -3.554 -0.015 8.576 1.00 0.00 C ATOM 457 CG ARG A 66 -4.609 1.034 8.898 1.00 0.00 C ATOM 458 CD ARG A 66 -5.209 0.813 10.277 1.00 0.00 C ATOM 459 NE ARG A 66 -6.670 0.841 10.251 1.00 0.00 N ATOM 460 CZ ARG A 66 -7.434 1.055 11.324 1.00 0.00 C ATOM 461 NH1 ARG A 66 -6.882 1.252 12.520 1.00 0.00 N ATOM 462 NH2 ARG A 66 -8.756 1.070 11.202 1.00 0.00 N ATOM 0 H ARG A 66 -1.994 1.677 9.489 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.697 -0.303 7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.021 -0.825 8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.186 -0.444 9.508 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.163 2.027 8.849 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.398 1.001 8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.872 -0.147 10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.844 1.582 10.958 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.135 0.687 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.867 1.240 12.621 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.474 1.415 13.334 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.186 0.918 10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.342 1.233 12.021 1.00 0.00 H new ATOM 476 N ASP A 67 -3.129 2.457 6.491 1.00 0.00 N ATOM 477 CA ASP A 67 -3.619 3.171 5.312 1.00 0.00 C ATOM 478 C ASP A 67 -2.688 2.993 4.113 1.00 0.00 C ATOM 479 O ASP A 67 -3.150 2.781 2.991 1.00 0.00 O ATOM 480 CB ASP A 67 -3.780 4.663 5.623 1.00 0.00 C ATOM 481 CG ASP A 67 -5.145 5.006 6.197 1.00 0.00 C ATOM 482 OD1 ASP A 67 -6.122 4.286 5.899 1.00 0.00 O ATOM 483 OD2 ASP A 67 -5.236 6.002 6.945 1.00 0.00 O ATOM 0 H ASP A 67 -3.020 3.042 7.319 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.588 2.745 5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.008 4.966 6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.621 5.238 4.711 1.00 0.00 H new ATOM 488 N ARG A 68 -1.381 3.080 4.354 1.00 0.00 N ATOM 489 CA ARG A 68 -0.400 2.928 3.284 1.00 0.00 C ATOM 490 C ARG A 68 -0.440 1.509 2.718 1.00 0.00 C ATOM 491 O ARG A 68 -0.518 1.320 1.504 1.00 0.00 O ATOM 492 CB ARG A 68 1.016 3.256 3.784 1.00 0.00 C ATOM 493 CG ARG A 68 1.077 4.323 4.872 1.00 0.00 C ATOM 494 CD ARG A 68 0.244 5.548 4.520 1.00 0.00 C ATOM 495 NE ARG A 68 0.714 6.748 5.212 1.00 0.00 N ATOM 496 CZ ARG A 68 -0.066 7.786 5.531 1.00 0.00 C ATOM 497 NH1 ARG A 68 -1.362 7.779 5.227 1.00 0.00 N ATOM 498 NH2 ARG A 68 0.454 8.836 6.157 1.00 0.00 N ATOM 0 H ARG A 68 -0.980 3.254 5.275 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.657 3.631 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.473 2.342 4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.618 3.585 2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.722 3.902 5.813 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.113 4.622 5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.279 5.713 3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.798 5.364 4.780 1.00 0.00 H new ATOM 0 HE ARG A 68 1.700 6.796 5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.769 6.977 4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.948 8.576 5.475 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.446 8.849 6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.139 9.629 6.401 1.00 0.00 H new ATOM 512 N ALA A 69 -0.402 0.515 3.608 1.00 0.00 N ATOM 513 CA ALA A 69 -0.445 -0.889 3.197 1.00 0.00 C ATOM 514 C ALA A 69 -1.792 -1.244 2.565 1.00 0.00 C ATOM 515 O ALA A 69 -1.855 -2.050 1.636 1.00 0.00 O ATOM 516 CB ALA A 69 -0.162 -1.804 4.382 1.00 0.00 C ATOM 0 H ALA A 69 -0.342 0.656 4.616 1.00 0.00 H new ATOM 0 HA ALA A 69 0.330 -1.037 2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.199 -2.843 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.827 -1.584 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.912 -1.640 5.156 1.00 0.00 H new ATOM 522 N GLN A 70 -2.864 -0.637 3.076 1.00 0.00 N ATOM 523 CA GLN A 70 -4.212 -0.885 2.566 1.00 0.00 C ATOM 524 C GLN A 70 -4.324 -0.482 1.100 1.00 0.00 C ATOM 525 O GLN A 70 -4.915 -1.200 0.297 1.00 0.00 O ATOM 526 CB GLN A 70 -5.248 -0.117 3.390 1.00 0.00 C ATOM 527 CG GLN A 70 -5.683 -0.841 4.654 1.00 0.00 C ATOM 528 CD GLN A 70 -6.942 -0.254 5.267 1.00 0.00 C ATOM 529 OE1 GLN A 70 -7.859 -0.982 5.645 1.00 0.00 O ATOM 530 NE2 GLN A 70 -6.993 1.071 5.372 1.00 0.00 N ATOM 0 H GLN A 70 -2.824 0.032 3.845 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.408 -1.954 2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.835 0.854 3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.125 0.072 2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.853 -1.893 4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.876 -0.801 5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.211 1.639 5.046 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.814 1.519 5.778 1.00 0.00 H new ATOM 539 N ALA A 71 -3.751 0.669 0.755 1.00 0.00 N ATOM 540 CA ALA A 71 -3.792 1.152 -0.620 1.00 0.00 C ATOM 541 C ALA A 71 -2.926 0.289 -1.539 1.00 0.00 C ATOM 542 O ALA A 71 -3.231 0.142 -2.724 1.00 0.00 O ATOM 543 CB ALA A 71 -3.361 2.607 -0.689 1.00 0.00 C ATOM 0 H ALA A 71 -3.256 1.280 1.405 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.822 1.079 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.398 2.949 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.032 3.214 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.343 2.703 -0.312 1.00 0.00 H new ATOM 549 N VAL A 72 -1.850 -0.286 -0.993 1.00 0.00 N ATOM 550 CA VAL A 72 -0.961 -1.138 -1.782 1.00 0.00 C ATOM 551 C VAL A 72 -1.686 -2.408 -2.230 1.00 0.00 C ATOM 552 O VAL A 72 -1.615 -2.791 -3.399 1.00 0.00 O ATOM 553 CB VAL A 72 0.314 -1.535 -1.002 1.00 0.00 C ATOM 554 CG1 VAL A 72 1.261 -2.324 -1.897 1.00 0.00 C ATOM 555 CG2 VAL A 72 1.013 -0.306 -0.436 1.00 0.00 C ATOM 0 H VAL A 72 -1.577 -0.177 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.663 -0.553 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 72 0.017 -2.168 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.153 -2.596 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.763 -3.229 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.546 -1.713 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.906 -0.614 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.296 0.360 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.338 0.217 0.242 1.00 0.00 H new ATOM 565 N GLU A 73 -2.387 -3.054 -1.293 1.00 0.00 N ATOM 566 CA GLU A 73 -3.128 -4.279 -1.599 1.00 0.00 C ATOM 567 C GLU A 73 -4.258 -4.003 -2.596 1.00 0.00 C ATOM 568 O GLU A 73 -4.546 -4.833 -3.460 1.00 0.00 O ATOM 569 CB GLU A 73 -3.689 -4.916 -0.319 1.00 0.00 C ATOM 570 CG GLU A 73 -4.587 -3.997 0.498 1.00 0.00 C ATOM 571 CD GLU A 73 -5.645 -4.754 1.279 1.00 0.00 C ATOM 572 OE1 GLU A 73 -5.276 -5.506 2.206 1.00 0.00 O ATOM 573 OE2 GLU A 73 -6.843 -4.594 0.963 1.00 0.00 O ATOM 0 H GLU A 73 -2.456 -2.750 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.431 -4.982 -2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.253 -5.809 -0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.857 -5.241 0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.975 -3.419 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.073 -3.285 -0.168 1.00 0.00 H new ATOM 580 N THR A 74 -4.884 -2.831 -2.479 1.00 0.00 N ATOM 581 CA THR A 74 -5.971 -2.447 -3.380 1.00 0.00 C ATOM 582 C THR A 74 -5.426 -2.102 -4.766 1.00 0.00 C ATOM 583 O THR A 74 -6.085 -2.338 -5.779 1.00 0.00 O ATOM 584 CB THR A 74 -6.758 -1.259 -2.815 1.00 0.00 C ATOM 585 OG1 THR A 74 -5.922 -0.411 -2.051 1.00 0.00 O ATOM 586 CG2 THR A 74 -7.919 -1.675 -1.934 1.00 0.00 C ATOM 0 H THR A 74 -4.657 -2.133 -1.771 1.00 0.00 H new ATOM 0 HA THR A 74 -6.646 -3.298 -3.470 1.00 0.00 H new ATOM 0 HB THR A 74 -7.150 -0.737 -3.688 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.887 -0.733 -1.126 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.434 -0.787 -1.567 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.614 -2.284 -2.512 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.545 -2.253 -1.089 1.00 0.00 H new ATOM 594 N TYR A 75 -4.216 -1.548 -4.801 1.00 0.00 N ATOM 595 CA TYR A 75 -3.570 -1.180 -6.050 1.00 0.00 C ATOM 596 C TYR A 75 -3.240 -2.427 -6.875 1.00 0.00 C ATOM 597 O TYR A 75 -3.452 -2.454 -8.088 1.00 0.00 O ATOM 598 CB TYR A 75 -2.303 -0.373 -5.744 1.00 0.00 C ATOM 599 CG TYR A 75 -1.316 -0.307 -6.883 1.00 0.00 C ATOM 600 CD1 TYR A 75 -0.411 -1.335 -7.097 1.00 0.00 C ATOM 601 CD2 TYR A 75 -1.290 0.782 -7.741 1.00 0.00 C ATOM 602 CE1 TYR A 75 0.494 -1.281 -8.133 1.00 0.00 C ATOM 603 CE2 TYR A 75 -0.387 0.845 -8.782 1.00 0.00 C ATOM 604 CZ TYR A 75 0.503 -0.189 -8.975 1.00 0.00 C ATOM 605 OH TYR A 75 1.406 -0.131 -10.012 1.00 0.00 O ATOM 0 H TYR A 75 -3.663 -1.344 -3.969 1.00 0.00 H new ATOM 0 HA TYR A 75 -4.249 -0.565 -6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.591 0.642 -5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.809 -0.810 -4.876 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.416 -2.192 -6.440 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.987 1.593 -7.592 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.193 -2.090 -8.286 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.378 1.700 -9.442 1.00 0.00 H new ATOM 0 HH TYR A 75 0.924 -0.073 -10.863 1.00 0.00 H new ATOM 615 N LEU A 76 -2.715 -3.456 -6.205 1.00 0.00 N ATOM 616 CA LEU A 76 -2.348 -4.708 -6.870 1.00 0.00 C ATOM 617 C LEU A 76 -3.570 -5.406 -7.465 1.00 0.00 C ATOM 618 O LEU A 76 -3.537 -5.852 -8.612 1.00 0.00 O ATOM 619 CB LEU A 76 -1.651 -5.649 -5.884 1.00 0.00 C ATOM 620 CG LEU A 76 -1.162 -6.975 -6.478 1.00 0.00 C ATOM 621 CD1 LEU A 76 -0.295 -6.732 -7.707 1.00 0.00 C ATOM 622 CD2 LEU A 76 -0.400 -7.777 -5.433 1.00 0.00 C ATOM 0 H LEU A 76 -2.534 -3.446 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.666 -4.460 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.798 -5.127 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.339 -5.867 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.033 -7.552 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.040 -7.687 -8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.875 -6.202 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.571 -6.132 -7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.060 -8.715 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.461 -7.203 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.055 -7.988 -4.587 1.00 0.00 H new ATOM 634 N LYS A 77 -4.645 -5.497 -6.680 1.00 0.00 N ATOM 635 CA LYS A 77 -5.872 -6.145 -7.142 1.00 0.00 C ATOM 636 C LYS A 77 -6.433 -5.440 -8.375 1.00 0.00 C ATOM 637 O LYS A 77 -7.000 -6.084 -9.256 1.00 0.00 O ATOM 638 CB LYS A 77 -6.923 -6.191 -6.026 1.00 0.00 C ATOM 639 CG LYS A 77 -7.294 -4.828 -5.465 1.00 0.00 C ATOM 640 CD LYS A 77 -8.525 -4.903 -4.576 1.00 0.00 C ATOM 641 CE LYS A 77 -9.369 -3.643 -4.686 1.00 0.00 C ATOM 642 NZ LYS A 77 -10.801 -3.904 -4.371 1.00 0.00 N ATOM 0 H LYS A 77 -4.691 -5.133 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.622 -7.169 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.823 -6.671 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.549 -6.816 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.456 -4.429 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.479 -4.135 -6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.125 -5.769 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.219 -5.048 -3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.980 -2.885 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.287 -3.238 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.342 -3.020 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.180 -4.608 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.882 -4.266 -3.399 1.00 0.00 H new ATOM 656 N LYS A 78 -6.264 -4.118 -8.439 1.00 0.00 N ATOM 657 CA LYS A 78 -6.748 -3.340 -9.575 1.00 0.00 C ATOM 658 C LYS A 78 -6.026 -3.753 -10.860 1.00 0.00 C ATOM 659 O LYS A 78 -6.660 -3.968 -11.890 1.00 0.00 O ATOM 660 CB LYS A 78 -6.554 -1.840 -9.322 1.00 0.00 C ATOM 661 CG LYS A 78 -7.726 -1.181 -8.610 1.00 0.00 C ATOM 662 CD LYS A 78 -7.255 -0.175 -7.570 1.00 0.00 C ATOM 663 CE LYS A 78 -8.198 -0.121 -6.376 1.00 0.00 C ATOM 664 NZ LYS A 78 -8.984 1.145 -6.334 1.00 0.00 N ATOM 0 H LYS A 78 -5.797 -3.567 -7.719 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.813 -3.541 -9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.652 -1.695 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.392 -1.338 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.361 -0.680 -9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.336 -1.945 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.254 -0.442 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.185 0.813 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.881 -0.969 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.622 -0.219 -5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.612 1.137 -5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.335 1.955 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.555 1.228 -7.199 1.00 0.00 H new ATOM 678 N LEU A 79 -4.698 -3.872 -10.785 1.00 0.00 N ATOM 679 CA LEU A 79 -3.894 -4.268 -11.944 1.00 0.00 C ATOM 680 C LEU A 79 -4.226 -5.692 -12.383 1.00 0.00 C ATOM 681 O LEU A 79 -4.424 -5.950 -13.570 1.00 0.00 O ATOM 682 CB LEU A 79 -2.398 -4.168 -11.625 1.00 0.00 C ATOM 683 CG LEU A 79 -1.915 -2.802 -11.130 1.00 0.00 C ATOM 684 CD1 LEU A 79 -0.436 -2.861 -10.779 1.00 0.00 C ATOM 685 CD2 LEU A 79 -2.174 -1.729 -12.179 1.00 0.00 C ATOM 0 H LEU A 79 -4.158 -3.700 -9.937 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.134 -3.584 -12.758 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.156 -4.915 -10.869 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.836 -4.429 -12.522 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.475 -2.542 -10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.106 -1.883 -10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.278 -3.600 -9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.137 -3.142 -11.663 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.824 -0.766 -11.808 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.641 -1.980 -13.096 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.243 -1.672 -12.385 1.00 0.00 H new ATOM 697 N ILE A 80 -4.285 -6.613 -11.423 1.00 0.00 N ATOM 698 CA ILE A 80 -4.592 -8.009 -11.725 1.00 0.00 C ATOM 699 C ILE A 80 -6.028 -8.160 -12.229 1.00 0.00 C ATOM 700 O ILE A 80 -6.289 -8.927 -13.157 1.00 0.00 O ATOM 701 CB ILE A 80 -4.377 -8.927 -10.497 1.00 0.00 C ATOM 702 CG1 ILE A 80 -2.968 -8.736 -9.922 1.00 0.00 C ATOM 703 CG2 ILE A 80 -4.600 -10.386 -10.878 1.00 0.00 C ATOM 704 CD1 ILE A 80 -2.791 -9.324 -8.538 1.00 0.00 C ATOM 0 H ILE A 80 -4.125 -6.419 -10.434 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.901 -8.318 -12.510 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.103 -8.652 -9.731 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.245 -9.194 -10.597 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.741 -7.670 -9.886 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.445 -11.018 -10.004 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.619 -10.515 -11.243 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.896 -10.670 -11.660 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.770 -9.151 -8.197 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.490 -8.849 -7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.985 -10.396 -8.571 1.00 0.00 H new ATOM 716 N ALA A 81 -6.955 -7.419 -11.617 1.00 0.00 N ATOM 717 CA ALA A 81 -8.362 -7.470 -12.009 1.00 0.00 C ATOM 718 C ALA A 81 -8.586 -6.847 -13.387 1.00 0.00 C ATOM 719 O ALA A 81 -9.411 -7.332 -14.162 1.00 0.00 O ATOM 720 CB ALA A 81 -9.234 -6.784 -10.966 1.00 0.00 C ATOM 0 H ALA A 81 -6.755 -6.778 -10.849 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.648 -8.520 -12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.278 -6.832 -11.276 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.117 -7.287 -10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.932 -5.741 -10.869 1.00 0.00 H new ATOM 726 N THR A 82 -7.851 -5.775 -13.694 1.00 0.00 N ATOM 727 CA THR A 82 -7.986 -5.109 -14.990 1.00 0.00 C ATOM 728 C THR A 82 -7.400 -5.970 -16.105 1.00 0.00 C ATOM 729 O THR A 82 -8.102 -6.341 -17.046 1.00 0.00 O ATOM 730 CB THR A 82 -7.306 -3.732 -14.984 1.00 0.00 C ATOM 731 OG1 THR A 82 -5.967 -3.827 -14.528 1.00 0.00 O ATOM 732 CG2 THR A 82 -8.017 -2.713 -14.120 1.00 0.00 C ATOM 0 H THR A 82 -7.163 -5.354 -13.069 1.00 0.00 H new ATOM 0 HA THR A 82 -9.051 -4.967 -15.174 1.00 0.00 H new ATOM 0 HB THR A 82 -7.343 -3.394 -16.020 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.956 -3.859 -13.549 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.483 -1.764 -14.162 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.035 -2.573 -14.485 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.047 -3.067 -13.090 1.00 0.00 H new ATOM 740 N ASN A 83 -6.108 -6.282 -15.992 1.00 0.00 N ATOM 741 CA ASN A 83 -5.420 -7.101 -16.995 1.00 0.00 C ATOM 742 C ASN A 83 -3.944 -7.317 -16.647 1.00 0.00 C ATOM 743 O ASN A 83 -3.370 -8.351 -16.994 1.00 0.00 O ATOM 744 CB ASN A 83 -5.531 -6.466 -18.390 1.00 0.00 C ATOM 745 CG ASN A 83 -5.449 -4.947 -18.364 1.00 0.00 C ATOM 746 OD1 ASN A 83 -6.457 -4.259 -18.518 1.00 0.00 O ATOM 747 ND2 ASN A 83 -4.247 -4.415 -18.168 1.00 0.00 N ATOM 0 H ASN A 83 -5.516 -5.981 -15.218 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.914 -8.073 -16.999 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.735 -6.856 -19.024 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.476 -6.765 -18.844 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.136 -3.401 -18.141 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.435 -5.020 -18.044 1.00 0.00 H new ATOM 754 N ASN A 84 -3.327 -6.337 -15.978 1.00 0.00 N ATOM 755 CA ASN A 84 -1.917 -6.428 -15.602 1.00 0.00 C ATOM 756 C ASN A 84 -1.653 -7.631 -14.705 1.00 0.00 C ATOM 757 O ASN A 84 -1.863 -7.582 -13.491 1.00 0.00 O ATOM 758 CB ASN A 84 -1.465 -5.149 -14.900 1.00 0.00 C ATOM 759 CG ASN A 84 -0.969 -4.106 -15.879 1.00 0.00 C ATOM 760 OD1 ASN A 84 0.233 -3.963 -16.095 1.00 0.00 O ATOM 761 ND2 ASN A 84 -1.897 -3.374 -16.482 1.00 0.00 N ATOM 0 H ASN A 84 -3.784 -5.473 -15.687 1.00 0.00 H new ATOM 0 HA ASN A 84 -1.343 -6.556 -16.520 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -2.295 -4.739 -14.324 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.672 -5.386 -14.191 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -1.624 -2.658 -17.155 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.883 -3.527 -16.272 1.00 0.00 H new ATOM 768 N VAL A 85 -1.184 -8.704 -15.323 1.00 0.00 N ATOM 769 CA VAL A 85 -0.873 -9.938 -14.609 1.00 0.00 C ATOM 770 C VAL A 85 0.404 -10.575 -15.167 1.00 0.00 C ATOM 771 O VAL A 85 0.488 -11.794 -15.332 1.00 0.00 O ATOM 772 CB VAL A 85 -2.039 -10.952 -14.690 1.00 0.00 C ATOM 773 CG1 VAL A 85 -1.801 -12.122 -13.747 1.00 0.00 C ATOM 774 CG2 VAL A 85 -3.369 -10.278 -14.373 1.00 0.00 C ATOM 0 H VAL A 85 -1.008 -8.747 -16.327 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.719 -9.677 -13.562 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.082 -11.333 -15.710 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.633 -12.823 -13.820 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.875 -12.628 -14.021 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.725 -11.755 -12.724 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.173 -11.011 -14.437 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.335 -9.863 -13.366 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.551 -9.477 -15.090 1.00 0.00 H new ATOM 784 N THR A 86 1.398 -9.735 -15.458 1.00 0.00 N ATOM 785 CA THR A 86 2.672 -10.205 -15.997 1.00 0.00 C ATOM 786 C THR A 86 3.848 -9.736 -15.132 1.00 0.00 C ATOM 787 O THR A 86 4.971 -9.598 -15.619 1.00 0.00 O ATOM 788 CB THR A 86 2.846 -9.718 -17.442 1.00 0.00 C ATOM 789 OG1 THR A 86 2.800 -8.302 -17.508 1.00 0.00 O ATOM 790 CG2 THR A 86 1.792 -10.256 -18.388 1.00 0.00 C ATOM 0 H THR A 86 1.344 -8.725 -15.329 1.00 0.00 H new ATOM 0 HA THR A 86 2.662 -11.295 -15.987 1.00 0.00 H new ATOM 0 HB THR A 86 3.820 -10.095 -17.755 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.915 -8.014 -18.438 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.974 -9.873 -19.392 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.837 -11.345 -18.402 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.805 -9.938 -18.052 1.00 0.00 H new ATOM 798 N HIS A 87 3.580 -9.499 -13.844 1.00 0.00 N ATOM 799 CA HIS A 87 4.609 -9.052 -12.905 1.00 0.00 C ATOM 800 C HIS A 87 4.060 -9.004 -11.477 1.00 0.00 C ATOM 801 O HIS A 87 2.861 -9.186 -11.257 1.00 0.00 O ATOM 802 CB HIS A 87 5.141 -7.668 -13.302 1.00 0.00 C ATOM 803 CG HIS A 87 4.095 -6.594 -13.294 1.00 0.00 C ATOM 804 ND1 HIS A 87 3.412 -6.201 -14.426 1.00 0.00 N ATOM 805 CD2 HIS A 87 3.612 -5.833 -12.281 1.00 0.00 C ATOM 806 CE1 HIS A 87 2.556 -5.246 -14.111 1.00 0.00 C ATOM 807 NE2 HIS A 87 2.657 -5.005 -12.817 1.00 0.00 N ATOM 0 H HIS A 87 2.655 -9.610 -13.429 1.00 0.00 H new ATOM 0 HA HIS A 87 5.428 -9.770 -12.942 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.942 -7.387 -12.619 1.00 0.00 H new ATOM 0 HB3 HIS A 87 5.579 -7.729 -14.298 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.921 -5.871 -11.247 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.887 -4.747 -14.796 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.113 -4.315 -12.299 1.00 0.00 H new ATOM 816 N LYS A 88 4.944 -8.750 -10.513 1.00 0.00 N ATOM 817 CA LYS A 88 4.550 -8.665 -9.108 1.00 0.00 C ATOM 818 C LYS A 88 5.161 -7.427 -8.456 1.00 0.00 C ATOM 819 O LYS A 88 6.214 -6.948 -8.884 1.00 0.00 O ATOM 820 CB LYS A 88 4.983 -9.925 -8.352 1.00 0.00 C ATOM 821 CG LYS A 88 4.003 -11.083 -8.480 1.00 0.00 C ATOM 822 CD LYS A 88 4.540 -12.177 -9.390 1.00 0.00 C ATOM 823 CE LYS A 88 4.113 -13.560 -8.917 1.00 0.00 C ATOM 824 NZ LYS A 88 5.085 -14.152 -7.952 1.00 0.00 N ATOM 0 H LYS A 88 5.939 -8.599 -10.680 1.00 0.00 H new ATOM 0 HA LYS A 88 3.464 -8.585 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.958 -10.243 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.107 -9.680 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.799 -11.498 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.055 -10.716 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.183 -12.013 -10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.628 -12.123 -9.422 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.132 -13.494 -8.447 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.010 -14.221 -9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.753 -15.093 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.016 -14.240 -8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.164 -13.536 -7.118 1.00 0.00 H new ATOM 838 N ILE A 89 4.500 -6.911 -7.420 1.00 0.00 N ATOM 839 CA ILE A 89 4.991 -5.728 -6.718 1.00 0.00 C ATOM 840 C ILE A 89 6.248 -6.058 -5.916 1.00 0.00 C ATOM 841 O ILE A 89 6.169 -6.487 -4.762 1.00 0.00 O ATOM 842 CB ILE A 89 3.925 -5.130 -5.772 1.00 0.00 C ATOM 843 CG1 ILE A 89 2.611 -4.894 -6.521 1.00 0.00 C ATOM 844 CG2 ILE A 89 4.430 -3.828 -5.162 1.00 0.00 C ATOM 845 CD1 ILE A 89 1.503 -4.356 -5.642 1.00 0.00 C ATOM 0 H ILE A 89 3.629 -7.292 -7.051 1.00 0.00 H new ATOM 0 HA ILE A 89 5.226 -4.986 -7.481 1.00 0.00 H new ATOM 0 HB ILE A 89 3.739 -5.842 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.788 -4.194 -7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.285 -5.832 -6.970 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.669 -3.418 -4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.341 -4.021 -4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.642 -3.112 -5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.602 -4.213 -6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.298 -5.065 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.810 -3.402 -5.213 1.00 0.00 H new ATOM 857 N THR A 90 7.406 -5.853 -6.538 1.00 0.00 N ATOM 858 CA THR A 90 8.687 -6.124 -5.892 1.00 0.00 C ATOM 859 C THR A 90 8.998 -5.059 -4.844 1.00 0.00 C ATOM 860 O THR A 90 8.223 -4.123 -4.653 1.00 0.00 O ATOM 861 CB THR A 90 9.804 -6.176 -6.938 1.00 0.00 C ATOM 862 OG1 THR A 90 9.899 -4.944 -7.634 1.00 0.00 O ATOM 863 CG2 THR A 90 9.609 -7.269 -7.967 1.00 0.00 C ATOM 0 H THR A 90 7.483 -5.499 -7.491 1.00 0.00 H new ATOM 0 HA THR A 90 8.623 -7.091 -5.393 1.00 0.00 H new ATOM 0 HB THR A 90 10.715 -6.384 -6.377 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.619 -4.997 -8.296 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.435 -7.251 -8.678 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.581 -8.238 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.670 -7.107 -8.497 1.00 0.00 H new ATOM 871 N GLU A 91 10.139 -5.203 -4.172 1.00 0.00 N ATOM 872 CA GLU A 91 10.549 -4.244 -3.148 1.00 0.00 C ATOM 873 C GLU A 91 10.573 -2.823 -3.714 1.00 0.00 C ATOM 874 O GLU A 91 10.163 -1.875 -3.045 1.00 0.00 O ATOM 875 CB GLU A 91 11.928 -4.612 -2.592 1.00 0.00 C ATOM 876 CG GLU A 91 12.260 -3.925 -1.275 1.00 0.00 C ATOM 877 CD GLU A 91 12.884 -2.552 -1.463 1.00 0.00 C ATOM 878 OE1 GLU A 91 13.764 -2.411 -2.337 1.00 0.00 O ATOM 879 OE2 GLU A 91 12.490 -1.619 -0.733 1.00 0.00 O ATOM 0 H GLU A 91 10.794 -5.972 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 91 9.821 -4.281 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.977 -5.692 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.688 -4.352 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.350 -3.827 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.944 -4.554 -0.706 1.00 0.00 H new ATOM 886 N ALA A 92 11.046 -2.686 -4.952 1.00 0.00 N ATOM 887 CA ALA A 92 11.114 -1.382 -5.613 1.00 0.00 C ATOM 888 C ALA A 92 9.719 -0.854 -5.960 1.00 0.00 C ATOM 889 O ALA A 92 9.454 0.343 -5.841 1.00 0.00 O ATOM 890 CB ALA A 92 11.968 -1.469 -6.871 1.00 0.00 C ATOM 0 H ALA A 92 11.388 -3.462 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 92 11.574 -0.682 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.009 -0.491 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.977 -1.785 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.530 -2.193 -7.558 1.00 0.00 H new ATOM 896 N GLU A 93 8.837 -1.752 -6.401 1.00 0.00 N ATOM 897 CA GLU A 93 7.475 -1.375 -6.779 1.00 0.00 C ATOM 898 C GLU A 93 6.622 -1.032 -5.558 1.00 0.00 C ATOM 899 O GLU A 93 5.856 -0.068 -5.582 1.00 0.00 O ATOM 900 CB GLU A 93 6.810 -2.501 -7.578 1.00 0.00 C ATOM 901 CG GLU A 93 7.451 -2.749 -8.935 1.00 0.00 C ATOM 902 CD GLU A 93 6.655 -3.716 -9.797 1.00 0.00 C ATOM 903 OE1 GLU A 93 5.427 -3.530 -9.928 1.00 0.00 O ATOM 904 OE2 GLU A 93 7.264 -4.657 -10.347 1.00 0.00 O ATOM 0 H GLU A 93 9.042 -2.746 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 93 7.546 -0.483 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.849 -3.421 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.757 -2.259 -7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.553 -1.800 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.457 -3.143 -8.790 1.00 0.00 H new ATOM 911 N ILE A 94 6.749 -1.828 -4.495 1.00 0.00 N ATOM 912 CA ILE A 94 5.973 -1.604 -3.274 1.00 0.00 C ATOM 913 C ILE A 94 6.313 -0.259 -2.628 1.00 0.00 C ATOM 914 O ILE A 94 5.424 0.429 -2.121 1.00 0.00 O ATOM 915 CB ILE A 94 6.175 -2.748 -2.250 1.00 0.00 C ATOM 916 CG1 ILE A 94 5.292 -2.532 -1.017 1.00 0.00 C ATOM 917 CG2 ILE A 94 7.636 -2.867 -1.843 1.00 0.00 C ATOM 918 CD1 ILE A 94 5.114 -3.776 -0.172 1.00 0.00 C ATOM 0 H ILE A 94 7.378 -2.630 -4.454 1.00 0.00 H new ATOM 0 HA ILE A 94 4.924 -1.589 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 94 5.880 -3.682 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.728 -1.745 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.312 -2.179 -1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.748 -3.678 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.243 -3.077 -2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.965 -1.932 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.478 -3.547 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.649 -4.559 -0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 94 6.087 -4.118 0.181 1.00 0.00 H new ATOM 930 N VAL A 95 7.591 0.125 -2.660 1.00 0.00 N ATOM 931 CA VAL A 95 8.014 1.402 -2.085 1.00 0.00 C ATOM 932 C VAL A 95 7.414 2.565 -2.870 1.00 0.00 C ATOM 933 O VAL A 95 6.922 3.528 -2.284 1.00 0.00 O ATOM 934 CB VAL A 95 9.552 1.554 -2.058 1.00 0.00 C ATOM 935 CG1 VAL A 95 9.950 2.853 -1.370 1.00 0.00 C ATOM 936 CG2 VAL A 95 10.203 0.368 -1.366 1.00 0.00 C ATOM 0 H VAL A 95 8.344 -0.425 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 95 7.653 1.416 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 95 9.906 1.584 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.036 2.942 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.521 3.697 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.578 2.851 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.285 0.499 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.840 0.301 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.951 -0.548 -1.900 1.00 0.00 H new ATOM 946 N SER A 96 7.450 2.461 -4.200 1.00 0.00 N ATOM 947 CA SER A 96 6.900 3.500 -5.068 1.00 0.00 C ATOM 948 C SER A 96 5.418 3.721 -4.770 1.00 0.00 C ATOM 949 O SER A 96 4.960 4.861 -4.675 1.00 0.00 O ATOM 950 CB SER A 96 7.087 3.125 -6.540 1.00 0.00 C ATOM 951 OG SER A 96 8.451 2.876 -6.836 1.00 0.00 O ATOM 0 H SER A 96 7.854 1.668 -4.698 1.00 0.00 H new ATOM 0 HA SER A 96 7.439 4.427 -4.871 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.495 2.240 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.716 3.931 -7.173 1.00 0.00 H new ATOM 0 HG SER A 96 8.712 2.007 -6.467 1.00 0.00 H new ATOM 957 N ILE A 97 4.674 2.623 -4.613 1.00 0.00 N ATOM 958 CA ILE A 97 3.246 2.705 -4.315 1.00 0.00 C ATOM 959 C ILE A 97 3.022 3.281 -2.919 1.00 0.00 C ATOM 960 O ILE A 97 2.205 4.183 -2.738 1.00 0.00 O ATOM 961 CB ILE A 97 2.551 1.326 -4.415 1.00 0.00 C ATOM 962 CG1 ILE A 97 2.869 0.655 -5.756 1.00 0.00 C ATOM 963 CG2 ILE A 97 1.044 1.478 -4.244 1.00 0.00 C ATOM 964 CD1 ILE A 97 2.839 -0.857 -5.697 1.00 0.00 C ATOM 0 H ILE A 97 5.036 1.672 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 97 2.805 3.364 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 97 2.932 0.692 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.152 0.996 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.855 0.978 -6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.569 0.500 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.831 1.913 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.653 2.130 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.073 -1.264 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.576 -1.208 -4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.846 -1.190 -5.393 1.00 0.00 H new ATOM 976 N LEU A 98 3.760 2.762 -1.936 1.00 0.00 N ATOM 977 CA LEU A 98 3.645 3.235 -0.556 1.00 0.00 C ATOM 978 C LEU A 98 3.993 4.723 -0.458 1.00 0.00 C ATOM 979 O LEU A 98 3.301 5.486 0.218 1.00 0.00 O ATOM 980 CB LEU A 98 4.562 2.424 0.368 1.00 0.00 C ATOM 981 CG LEU A 98 4.004 1.072 0.826 1.00 0.00 C ATOM 982 CD1 LEU A 98 5.137 0.113 1.160 1.00 0.00 C ATOM 983 CD2 LEU A 98 3.085 1.251 2.027 1.00 0.00 C ATOM 0 H LEU A 98 4.442 2.016 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 98 2.611 3.098 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.508 2.252 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.783 3.024 1.250 1.00 0.00 H new ATOM 0 HG LEU A 98 3.422 0.646 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.722 -0.842 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.756 -0.041 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.746 0.534 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.699 0.280 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.643 1.699 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.254 1.902 1.755 1.00 0.00 H new ATOM 995 N ASN A 99 5.068 5.127 -1.139 1.00 0.00 N ATOM 996 CA ASN A 99 5.510 6.523 -1.132 1.00 0.00 C ATOM 997 C ASN A 99 4.498 7.428 -1.833 1.00 0.00 C ATOM 998 O ASN A 99 4.254 8.553 -1.394 1.00 0.00 O ATOM 999 CB ASN A 99 6.879 6.657 -1.806 1.00 0.00 C ATOM 1000 CG ASN A 99 8.010 6.771 -0.802 1.00 0.00 C ATOM 1001 OD1 ASN A 99 8.548 7.855 -0.576 1.00 0.00 O ATOM 1002 ND2 ASN A 99 8.377 5.650 -0.192 1.00 0.00 N ATOM 0 H ASN A 99 5.649 4.506 -1.703 1.00 0.00 H new ATOM 0 HA ASN A 99 5.591 6.838 -0.092 1.00 0.00 H new ATOM 0 HB2 ASN A 99 7.052 5.792 -2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.879 7.536 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.132 5.666 0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.904 4.773 -0.409 1.00 0.00 H new ATOM 1009 N GLY A 100 3.901 6.925 -2.914 1.00 0.00 N ATOM 1010 CA GLY A 100 2.912 7.697 -3.646 1.00 0.00 C ATOM 1011 C GLY A 100 1.598 7.772 -2.900 1.00 0.00 C ATOM 1012 O GLY A 100 0.927 8.805 -2.907 1.00 0.00 O ATOM 0 H GLY A 100 4.086 5.997 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.291 8.704 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 100 2.750 7.246 -4.625 1.00 0.00 H new ATOM 1016 N ILE A 101 1.246 6.671 -2.240 1.00 0.00 N ATOM 1017 CA ILE A 101 0.020 6.590 -1.459 1.00 0.00 C ATOM 1018 C ILE A 101 -0.008 7.679 -0.384 1.00 0.00 C ATOM 1019 O ILE A 101 -1.046 8.296 -0.139 1.00 0.00 O ATOM 1020 CB ILE A 101 -0.113 5.194 -0.804 1.00 0.00 C ATOM 1021 CG1 ILE A 101 -0.637 4.182 -1.825 1.00 0.00 C ATOM 1022 CG2 ILE A 101 -1.017 5.239 0.418 1.00 0.00 C ATOM 1023 CD1 ILE A 101 -0.349 2.742 -1.457 1.00 0.00 C ATOM 0 H ILE A 101 1.801 5.815 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.823 6.744 -2.132 1.00 0.00 H new ATOM 0 HB ILE A 101 0.876 4.880 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.714 4.312 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.192 4.396 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.089 4.243 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.601 5.928 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.010 5.579 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.750 2.083 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.728 2.595 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.818 2.510 -0.501 1.00 0.00 H new ATOM 1035 N ALA A 102 1.145 7.915 0.244 1.00 0.00 N ATOM 1036 CA ALA A 102 1.261 8.935 1.283 1.00 0.00 C ATOM 1037 C ALA A 102 1.156 10.340 0.691 1.00 0.00 C ATOM 1038 O ALA A 102 0.612 11.245 1.326 1.00 0.00 O ATOM 1039 CB ALA A 102 2.571 8.777 2.042 1.00 0.00 C ATOM 0 H ALA A 102 2.011 7.412 0.050 1.00 0.00 H new ATOM 0 HA ALA A 102 0.434 8.799 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.640 9.545 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.605 7.792 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.407 8.880 1.350 1.00 0.00 H new ATOM 1045 N LYS A 103 1.674 10.518 -0.529 1.00 0.00 N ATOM 1046 CA LYS A 103 1.629 11.819 -1.202 1.00 0.00 C ATOM 1047 C LYS A 103 0.189 12.317 -1.339 1.00 0.00 C ATOM 1048 O LYS A 103 -0.072 13.514 -1.229 1.00 0.00 O ATOM 1049 CB LYS A 103 2.282 11.742 -2.587 1.00 0.00 C ATOM 1050 CG LYS A 103 3.787 11.519 -2.548 1.00 0.00 C ATOM 1051 CD LYS A 103 4.490 12.233 -3.693 1.00 0.00 C ATOM 1052 CE LYS A 103 4.214 11.559 -5.030 1.00 0.00 C ATOM 1053 NZ LYS A 103 5.383 10.771 -5.516 1.00 0.00 N ATOM 0 H LYS A 103 2.127 9.780 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 103 2.187 12.525 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.819 10.933 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.075 12.666 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 103 4.184 11.876 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.998 10.451 -2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 103 4.159 13.271 -3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 103 5.564 12.248 -3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.350 10.901 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.956 12.316 -5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.149 10.330 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.201 11.402 -5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.615 10.031 -4.823 1.00 0.00 H new ATOM 1067 N GLN A 104 -0.741 11.389 -1.578 1.00 0.00 N ATOM 1068 CA GLN A 104 -2.156 11.735 -1.727 1.00 0.00 C ATOM 1069 C GLN A 104 -2.710 12.370 -0.446 1.00 0.00 C ATOM 1070 O GLN A 104 -3.595 13.225 -0.504 1.00 0.00 O ATOM 1071 CB GLN A 104 -2.980 10.491 -2.086 1.00 0.00 C ATOM 1072 CG GLN A 104 -2.465 9.733 -3.303 1.00 0.00 C ATOM 1073 CD GLN A 104 -3.034 10.260 -4.606 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -2.325 10.873 -5.403 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -4.323 10.023 -4.831 1.00 0.00 N ATOM 0 H GLN A 104 -0.540 10.394 -1.672 1.00 0.00 H new ATOM 0 HA GLN A 104 -2.234 12.462 -2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.992 9.817 -1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.012 10.792 -2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.377 9.799 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -2.717 8.677 -3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.875 9.510 -4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.760 10.354 -5.691 1.00 0.00 H new ATOM 1084 N GLN A 105 -2.186 11.944 0.707 1.00 0.00 N ATOM 1085 CA GLN A 105 -2.630 12.469 1.997 1.00 0.00 C ATOM 1086 C GLN A 105 -2.203 13.925 2.179 1.00 0.00 C ATOM 1087 O GLN A 105 -1.013 14.222 2.299 1.00 0.00 O ATOM 1088 CB GLN A 105 -2.072 11.612 3.140 1.00 0.00 C ATOM 1089 CG GLN A 105 -3.146 10.953 3.990 1.00 0.00 C ATOM 1090 CD GLN A 105 -3.821 11.930 4.934 1.00 0.00 C ATOM 1091 OE1 GLN A 105 -4.540 12.831 4.501 1.00 0.00 O ATOM 1092 NE2 GLN A 105 -3.593 11.760 6.232 1.00 0.00 N ATOM 0 H GLN A 105 -1.454 11.237 0.771 1.00 0.00 H new ATOM 0 HA GLN A 105 -3.719 12.429 2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.427 10.839 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.448 12.236 3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.896 10.505 3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.701 10.143 4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.991 11.000 6.549 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.021 12.389 6.912 1.00 0.00 H new ATOM 1101 N ASN A 106 -3.185 14.829 2.199 1.00 0.00 N ATOM 1102 CA ASN A 106 -2.915 16.256 2.368 1.00 0.00 C ATOM 1103 C ASN A 106 -4.183 17.015 2.752 1.00 0.00 C ATOM 1104 O ASN A 106 -5.161 17.029 2.002 1.00 0.00 O ATOM 1105 CB ASN A 106 -2.328 16.846 1.083 1.00 0.00 C ATOM 1106 CG ASN A 106 -1.036 17.605 1.329 1.00 0.00 C ATOM 1107 OD1 ASN A 106 -0.047 17.035 1.791 1.00 0.00 O ATOM 1108 ND2 ASN A 106 -1.037 18.898 1.022 1.00 0.00 N ATOM 0 H ASN A 106 -4.173 14.597 2.100 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.190 16.363 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.144 16.043 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.058 17.515 0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.196 19.457 1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.878 19.331 0.641 1.00 0.00 H new ATOM 1115 N SER A 107 -4.159 17.648 3.925 1.00 0.00 N ATOM 1116 CA SER A 107 -5.306 18.411 4.410 1.00 0.00 C ATOM 1117 C SER A 107 -4.855 19.705 5.085 1.00 0.00 C ATOM 1118 O SER A 107 -4.000 19.684 5.972 1.00 0.00 O ATOM 1119 CB SER A 107 -6.132 17.572 5.391 1.00 0.00 C ATOM 1120 OG SER A 107 -6.011 16.185 5.118 1.00 0.00 O ATOM 0 H SER A 107 -3.357 17.647 4.556 1.00 0.00 H new ATOM 0 HA SER A 107 -5.926 18.666 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.803 17.773 6.410 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.180 17.866 5.330 1.00 0.00 H new ATOM 0 HG SER A 107 -6.548 15.677 5.761 1.00 0.00 H new ATOM 1126 N GLN A 108 -5.437 20.828 4.654 1.00 0.00 N ATOM 1127 CA GLN A 108 -5.106 22.145 5.202 1.00 0.00 C ATOM 1128 C GLN A 108 -3.695 22.573 4.790 1.00 0.00 C ATOM 1129 O GLN A 108 -3.535 23.453 3.944 1.00 0.00 O ATOM 1130 CB GLN A 108 -5.245 22.152 6.732 1.00 0.00 C ATOM 1131 CG GLN A 108 -5.301 23.548 7.342 1.00 0.00 C ATOM 1132 CD GLN A 108 -6.473 24.370 6.836 1.00 0.00 C ATOM 1133 OE1 GLN A 108 -7.541 23.834 6.541 1.00 0.00 O ATOM 1134 NE2 GLN A 108 -6.280 25.682 6.736 1.00 0.00 N ATOM 0 H GLN A 108 -6.146 20.850 3.921 1.00 0.00 H new ATOM 0 HA GLN A 108 -5.814 22.864 4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.150 21.610 7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -4.404 21.610 7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -5.366 23.462 8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -4.372 24.074 7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.379 26.086 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.033 26.284 6.404 1.00 0.00 H new ATOM 1143 N ASN A 109 -2.677 21.944 5.388 1.00 0.00 N ATOM 1144 CA ASN A 109 -1.279 22.256 5.080 1.00 0.00 C ATOM 1145 C ASN A 109 -0.961 23.743 5.303 1.00 0.00 C ATOM 1146 O ASN A 109 0.011 24.265 4.755 1.00 0.00 O ATOM 1147 CB ASN A 109 -0.964 21.855 3.633 1.00 0.00 C ATOM 1148 CG ASN A 109 0.525 21.845 3.331 1.00 0.00 C ATOM 1149 OD1 ASN A 109 0.977 22.476 2.376 1.00 0.00 O ATOM 1150 ND2 ASN A 109 1.298 21.128 4.142 1.00 0.00 N ATOM 0 H ASN A 109 -2.797 21.214 6.090 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.650 21.684 5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -1.375 20.865 3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -1.462 22.546 2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 109 2.305 21.087 3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.884 20.619 4.923 1.00 0.00 H new ATOM 1157 N ASN A 110 -1.780 24.417 6.116 1.00 0.00 N ATOM 1158 CA ASN A 110 -1.582 25.836 6.412 1.00 0.00 C ATOM 1159 C ASN A 110 -1.689 26.100 7.916 1.00 0.00 C ATOM 1160 O ASN A 110 -2.075 27.191 8.337 1.00 0.00 O ATOM 1161 CB ASN A 110 -2.618 26.686 5.660 1.00 0.00 C ATOM 1162 CG ASN A 110 -2.340 26.777 4.169 1.00 0.00 C ATOM 1163 OD1 ASN A 110 -2.042 25.777 3.519 1.00 0.00 O ATOM 1164 ND2 ASN A 110 -2.441 27.982 3.618 1.00 0.00 N ATOM 0 H ASN A 110 -2.587 24.001 6.581 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.581 26.114 6.081 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -3.610 26.261 5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.633 27.690 6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -2.269 28.102 2.620 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.691 28.786 4.193 1.00 0.00 H new ATOM 1171 N SER A 111 -1.350 25.092 8.723 1.00 0.00 N ATOM 1172 CA SER A 111 -1.417 25.218 10.177 1.00 0.00 C ATOM 1173 C SER A 111 -0.062 25.618 10.752 1.00 0.00 C ATOM 1174 O SER A 111 0.981 25.148 10.294 1.00 0.00 O ATOM 1175 CB SER A 111 -1.897 23.905 10.804 1.00 0.00 C ATOM 1176 OG SER A 111 -0.955 22.863 10.609 1.00 0.00 O ATOM 0 H SER A 111 -1.027 24.182 8.393 1.00 0.00 H new ATOM 0 HA SER A 111 -2.133 26.003 10.418 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.066 24.050 11.871 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.853 23.619 10.366 1.00 0.00 H new ATOM 0 HG SER A 111 -1.289 22.039 11.021 1.00 0.00 H new ATOM 1182 N LYS A 112 -0.088 26.505 11.752 1.00 0.00 N ATOM 1183 CA LYS A 112 1.134 26.995 12.391 1.00 0.00 C ATOM 1184 C LYS A 112 1.953 27.868 11.432 1.00 0.00 C ATOM 1185 O LYS A 112 3.110 28.189 11.708 1.00 0.00 O ATOM 1186 CB LYS A 112 1.982 25.821 12.900 1.00 0.00 C ATOM 1187 CG LYS A 112 2.533 26.029 14.304 1.00 0.00 C ATOM 1188 CD LYS A 112 1.428 26.036 15.354 1.00 0.00 C ATOM 1189 CE LYS A 112 1.235 24.661 15.977 1.00 0.00 C ATOM 1190 NZ LYS A 112 -0.010 24.585 16.795 1.00 0.00 N ATOM 0 H LYS A 112 -0.947 26.899 12.137 1.00 0.00 H new ATOM 0 HA LYS A 112 0.842 27.612 13.241 1.00 0.00 H new ATOM 0 HB2 LYS A 112 1.377 24.914 12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.813 25.659 12.213 1.00 0.00 H new ATOM 0 HG2 LYS A 112 3.247 25.239 14.534 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.078 26.972 14.344 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.671 26.758 16.134 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.494 26.363 14.897 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.197 23.909 15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.095 24.423 16.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.102 23.632 17.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.036 25.285 17.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.834 24.786 16.193 1.00 0.00 H new ATOM 1204 N ILE A 113 1.342 28.256 10.307 1.00 0.00 N ATOM 1205 CA ILE A 113 2.009 29.095 9.316 1.00 0.00 C ATOM 1206 C ILE A 113 1.311 30.450 9.182 1.00 0.00 C ATOM 1207 O ILE A 113 1.967 31.475 8.990 1.00 0.00 O ATOM 1208 CB ILE A 113 2.059 28.409 7.931 1.00 0.00 C ATOM 1209 CG1 ILE A 113 2.615 26.986 8.051 1.00 0.00 C ATOM 1210 CG2 ILE A 113 2.901 29.226 6.959 1.00 0.00 C ATOM 1211 CD1 ILE A 113 4.027 26.924 8.597 1.00 0.00 C ATOM 0 H ILE A 113 0.385 28.000 10.064 1.00 0.00 H new ATOM 0 HA ILE A 113 3.029 29.249 9.668 1.00 0.00 H new ATOM 0 HB ILE A 113 1.042 28.350 7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 113 1.959 26.403 8.698 1.00 0.00 H new ATOM 0 HG13 ILE A 113 2.594 26.514 7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 113 2.924 28.727 5.990 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.465 30.219 6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.916 29.317 7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.350 25.885 8.652 1.00 0.00 H new ATOM 0 HD12 ILE A 113 4.696 27.478 7.939 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.051 27.365 9.593 1.00 0.00 H new ATOM 1223 N ILE A 114 -0.022 30.448 9.285 1.00 0.00 N ATOM 1224 CA ILE A 114 -0.808 31.679 9.174 1.00 0.00 C ATOM 1225 C ILE A 114 -0.326 32.730 10.176 1.00 0.00 C ATOM 1226 O ILE A 114 0.108 33.813 9.783 1.00 0.00 O ATOM 1227 CB ILE A 114 -2.321 31.431 9.399 1.00 0.00 C ATOM 1228 CG1 ILE A 114 -2.794 30.163 8.676 1.00 0.00 C ATOM 1229 CG2 ILE A 114 -3.130 32.634 8.935 1.00 0.00 C ATOM 1230 CD1 ILE A 114 -2.336 30.065 7.235 1.00 0.00 C ATOM 0 H ILE A 114 -0.578 29.608 9.445 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.663 32.043 8.157 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.480 31.287 10.468 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.433 29.291 9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.883 30.127 8.703 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.191 32.445 9.100 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.827 33.516 9.500 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.952 32.804 7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.712 29.141 6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.719 30.916 6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.247 30.067 7.199 1.00 0.00 H new ATOM 1242 N PHE A 115 -0.406 32.397 11.470 1.00 0.00 N ATOM 1243 CA PHE A 115 0.020 33.300 12.544 1.00 0.00 C ATOM 1244 C PHE A 115 -0.924 34.501 12.670 1.00 0.00 C ATOM 1245 O PHE A 115 -1.627 34.637 13.673 1.00 0.00 O ATOM 1246 CB PHE A 115 1.464 33.770 12.315 1.00 0.00 C ATOM 1247 CG PHE A 115 2.210 34.082 13.586 1.00 0.00 C ATOM 1248 CD1 PHE A 115 2.395 33.109 14.559 1.00 0.00 C ATOM 1249 CD2 PHE A 115 2.727 35.348 13.805 1.00 0.00 C ATOM 1250 CE1 PHE A 115 3.079 33.397 15.725 1.00 0.00 C ATOM 1251 CE2 PHE A 115 3.412 35.641 14.970 1.00 0.00 C ATOM 1252 CZ PHE A 115 3.589 34.665 15.930 1.00 0.00 C ATOM 0 H PHE A 115 -0.765 31.501 11.800 1.00 0.00 H new ATOM 0 HA PHE A 115 -0.020 32.745 13.481 1.00 0.00 H new ATOM 0 HB2 PHE A 115 2.005 32.998 11.767 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.451 34.659 11.684 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.000 32.116 14.403 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.594 36.116 13.057 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.215 32.632 16.475 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.808 36.633 15.129 1.00 0.00 H new ATOM 0 HZ PHE A 115 4.125 34.892 16.840 1.00 0.00 H new ATOM 1262 N GLU A 116 -0.942 35.362 11.650 1.00 0.00 N ATOM 1263 CA GLU A 116 -1.805 36.541 11.650 1.00 0.00 C ATOM 1264 C GLU A 116 -2.721 36.537 10.426 1.00 0.00 C ATOM 1265 O GLU A 116 -2.219 36.772 9.306 1.00 0.00 O ATOM 1266 CB GLU A 116 -0.964 37.822 11.675 1.00 0.00 C ATOM 1267 CG GLU A 116 -0.659 38.326 13.077 1.00 0.00 C ATOM 1268 CD GLU A 116 -1.896 38.809 13.814 1.00 0.00 C ATOM 1269 OE1 GLU A 116 -2.607 39.684 13.275 1.00 0.00 O ATOM 1270 OE2 GLU A 116 -2.153 38.312 14.930 1.00 0.00 O ATOM 1271 OXT GLU A 116 -3.933 36.290 10.598 1.00 0.00 O ATOM 0 H GLU A 116 -0.367 35.263 10.813 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.423 36.511 12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.025 37.640 11.152 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.490 38.602 11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.189 37.527 13.651 1.00 0.00 H new ATOM 0 HG3 GLU A 116 0.062 39.141 13.016 1.00 0.00 H new TER 1278 GLU A 116