USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 806 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 98 THR OG1 : rot 180:sc= 0.517 USER MOD Set 1.2: A 127 SER OG : rot 179:sc= 0.464 USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 1.07 USER MOD Set 2.2: A 113 SER OG : rot 76:sc= 2.34 USER MOD Set 2.3: A 115 SER OG : rot 97:sc= -0.104 USER MOD Set 3.1: A 45 GLN : amide:sc= 0 X(o=-0.53,f=-0.97) USER MOD Set 3.2: A 91 SER OG : rot 180:sc= -0.36 USER MOD Set 3.3: A 131 THR OG1 : rot 170:sc= -0.175 USER MOD Set 4.1: A 79 LYS NZ :NH3+ -170:sc= 0.967 (180deg=0) USER MOD Set 4.2: A 82 GLN : amide:sc= 0.833 K(o=1.8,f=-3.1) USER MOD Set 5.1: A 38 THR OG1 : rot 159:sc= 1.27 USER MOD Set 5.2: A 40 SER OG : rot -70:sc= 0.193 USER MOD Set 5.3: A 47 GLN : amide:sc= -0.249 X(o=1.2,f=0.85) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 42 SER OG : rot 177:sc= 1.36 USER MOD Single : A 43 LYS NZ :NH3+ 132:sc= -0.123 (180deg=-0.662) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0507) USER MOD Single : A 57 HIS : no HE2:sc= -0.748 K(o=-0.75,f=-5!) USER MOD Single : A 58 MET CE :methyl 165:sc= -0.134 (180deg=-0.584) USER MOD Single : A 61 SER OG : rot 77:sc= 0.887 USER MOD Single : A 62 GLN :FLIP amide:sc= -1.24 F(o=-6.3!,f=-1.2) USER MOD Single : A 63 SER OG : rot 87:sc= 1.46 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.317 USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= 1.23 (180deg=0.102) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0549 F(o=-1.5!,f=-0.055) USER MOD Single : A 75 SER OG : rot 37:sc= 1.27 USER MOD Single : A 76 GLN : amide:sc= 0.532 K(o=0.53,f=-0.66) USER MOD Single : A 78 SER OG : rot -89:sc= 0.765 USER MOD Single : A 85 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.076) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.613 F(o=-4.6!,f=-0.61) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -114:sc= 0.258 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1) USER MOD Single : A 116 ASN :FLIP amide:sc=-0.00898 F(o=-2.1!,f=-0.009) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -0.038 X(o=-0.038,f=-0.011) USER MOD Single : A 120 SER OG : rot 179:sc= 1.41 USER MOD Single : A 122 ASN : amide:sc= -0.527 K(o=-0.53,f=-11!) USER MOD Single : A 124 MET CE :methyl 163:sc= -0.163 (180deg=-0.639) USER MOD Single : A 126 HIS : no HD1:sc= -0.17 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -9.722 -2.366 13.800 1.00 0.00 N ATOM 2 CA ARG A 25 -9.575 -2.037 12.365 1.00 0.00 C ATOM 3 C ARG A 25 -8.401 -1.089 12.148 1.00 0.00 C ATOM 4 O ARG A 25 -8.224 -0.123 12.893 1.00 0.00 O ATOM 5 CB ARG A 25 -10.869 -1.430 11.802 1.00 0.00 C ATOM 6 CG ARG A 25 -11.488 -0.335 12.652 1.00 0.00 C ATOM 7 CD ARG A 25 -12.588 0.395 11.893 1.00 0.00 C ATOM 8 NE ARG A 25 -13.443 -0.523 11.135 1.00 0.00 N ATOM 9 CZ ARG A 25 -14.592 -0.171 10.560 1.00 0.00 C ATOM 10 NH1 ARG A 25 -15.078 1.050 10.721 1.00 0.00 N ATOM 11 NH2 ARG A 25 -15.266 -1.047 9.835 1.00 0.00 N ATOM 0 HA ARG A 25 -9.375 -2.964 11.827 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.662 -1.026 10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.601 -2.228 11.675 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.898 -0.767 13.565 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.718 0.375 12.953 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.199 0.960 12.597 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.139 1.117 11.211 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.139 -1.492 11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.572 1.730 11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.958 1.311 10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.907 -1.994 9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.146 -0.776 9.395 1.00 0.00 H new ATOM 23 N LEU A 26 -7.594 -1.378 11.134 1.00 0.00 N ATOM 24 CA LEU A 26 -6.400 -0.592 10.856 1.00 0.00 C ATOM 25 C LEU A 26 -6.524 0.156 9.539 1.00 0.00 C ATOM 26 O LEU A 26 -6.106 -0.337 8.498 1.00 0.00 O ATOM 27 CB LEU A 26 -5.161 -1.490 10.812 1.00 0.00 C ATOM 28 CG LEU A 26 -4.766 -2.137 12.138 1.00 0.00 C ATOM 29 CD1 LEU A 26 -3.513 -2.970 11.958 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.553 -1.080 13.212 1.00 0.00 C ATOM 0 H LEU A 26 -7.746 -2.154 10.489 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.295 0.134 11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.333 -2.279 10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.319 -0.899 10.452 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.578 -2.789 12.460 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.240 -3.427 12.909 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.698 -3.751 11.220 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.698 -2.332 11.615 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.272 -1.563 14.148 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.759 -0.401 12.902 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.475 -0.517 13.357 1.00 0.00 H new ATOM 42 N SER A 27 -7.099 1.337 9.581 1.00 0.00 N ATOM 43 CA SER A 27 -7.159 2.189 8.408 1.00 0.00 C ATOM 44 C SER A 27 -5.990 3.162 8.465 1.00 0.00 C ATOM 45 O SER A 27 -5.493 3.467 9.550 1.00 0.00 O ATOM 46 CB SER A 27 -8.486 2.944 8.386 1.00 0.00 C ATOM 47 OG SER A 27 -9.570 2.058 8.631 1.00 0.00 O ATOM 0 H SER A 27 -7.533 1.732 10.415 1.00 0.00 H new ATOM 0 HA SER A 27 -7.094 1.591 7.499 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.475 3.731 9.140 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.618 3.430 7.419 1.00 0.00 H new ATOM 0 HG SER A 27 -10.412 2.559 8.615 1.00 0.00 H new ATOM 53 N TRP A 28 -5.534 3.647 7.316 1.00 0.00 N ATOM 54 CA TRP A 28 -4.374 4.534 7.297 1.00 0.00 C ATOM 55 C TRP A 28 -4.703 5.939 7.812 1.00 0.00 C ATOM 56 O TRP A 28 -3.916 6.867 7.653 1.00 0.00 O ATOM 57 CB TRP A 28 -3.718 4.588 5.910 1.00 0.00 C ATOM 58 CG TRP A 28 -4.624 4.920 4.760 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.743 5.704 4.770 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.452 4.488 3.404 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.281 5.770 3.509 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.505 5.037 2.655 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.509 3.688 2.753 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.642 4.813 1.286 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.647 3.465 1.396 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.706 4.027 0.675 1.00 0.00 C ATOM 0 H TRP A 28 -5.939 3.447 6.401 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.649 4.104 7.988 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.917 5.326 5.939 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.254 3.622 5.713 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.145 6.199 5.642 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.124 6.283 3.251 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.687 3.252 3.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.459 5.245 0.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.925 2.846 0.884 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.785 3.836 -0.385 1.00 0.00 H new ATOM 77 N TYR A 29 -5.866 6.081 8.433 1.00 0.00 N ATOM 78 CA TYR A 29 -6.217 7.306 9.134 1.00 0.00 C ATOM 79 C TYR A 29 -6.053 7.114 10.639 1.00 0.00 C ATOM 80 O TYR A 29 -6.059 8.080 11.402 1.00 0.00 O ATOM 81 CB TYR A 29 -7.659 7.717 8.823 1.00 0.00 C ATOM 82 CG TYR A 29 -7.886 8.123 7.385 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.401 9.331 6.904 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.582 7.300 6.507 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.603 9.708 5.593 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.787 7.672 5.194 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.293 8.876 4.741 1.00 0.00 C ATOM 88 OH TYR A 29 -8.494 9.251 3.433 1.00 0.00 O ATOM 0 H TYR A 29 -6.585 5.358 8.465 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.548 8.096 8.794 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.323 6.887 9.064 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.937 8.547 9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.856 9.987 7.567 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.968 6.355 6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.221 10.653 5.236 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.332 7.023 4.525 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.997 8.552 2.966 1.00 0.00 H new ATOM 98 N ASP A 30 -5.892 5.861 11.054 1.00 0.00 N ATOM 99 CA ASP A 30 -5.819 5.522 12.471 1.00 0.00 C ATOM 100 C ASP A 30 -4.442 5.829 13.042 1.00 0.00 C ATOM 101 O ASP A 30 -3.427 5.728 12.351 1.00 0.00 O ATOM 102 CB ASP A 30 -6.145 4.042 12.693 1.00 0.00 C ATOM 103 CG ASP A 30 -7.608 3.718 12.467 1.00 0.00 C ATOM 104 OD1 ASP A 30 -8.448 4.138 13.289 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.931 3.033 11.480 1.00 0.00 O ATOM 0 H ASP A 30 -5.809 5.061 10.426 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.557 6.134 12.990 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.536 3.437 12.021 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.870 3.764 13.710 1.00 0.00 H new ATOM 110 N PRO A 31 -4.402 6.202 14.330 1.00 0.00 N ATOM 111 CA PRO A 31 -3.164 6.555 15.033 1.00 0.00 C ATOM 112 C PRO A 31 -2.276 5.346 15.311 1.00 0.00 C ATOM 113 O PRO A 31 -1.130 5.490 15.740 1.00 0.00 O ATOM 114 CB PRO A 31 -3.666 7.159 16.346 1.00 0.00 C ATOM 115 CG PRO A 31 -4.991 6.524 16.568 1.00 0.00 C ATOM 116 CD PRO A 31 -5.584 6.322 15.203 1.00 0.00 C ATOM 0 HA PRO A 31 -2.542 7.227 14.442 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.982 6.946 17.167 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.753 8.243 16.276 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.886 5.574 17.093 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.630 7.158 17.182 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.205 5.427 15.163 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.215 7.161 14.911 1.00 0.00 H new ATOM 124 N ASP A 32 -2.811 4.158 15.061 1.00 0.00 N ATOM 125 CA ASP A 32 -2.088 2.915 15.310 1.00 0.00 C ATOM 126 C ASP A 32 -1.549 2.321 14.017 1.00 0.00 C ATOM 127 O ASP A 32 -1.017 1.212 14.012 1.00 0.00 O ATOM 128 CB ASP A 32 -2.995 1.889 15.996 1.00 0.00 C ATOM 129 CG ASP A 32 -3.363 2.279 17.411 1.00 0.00 C ATOM 130 OD1 ASP A 32 -4.374 2.989 17.593 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.640 1.879 18.348 1.00 0.00 O ATOM 0 H ASP A 32 -3.750 4.028 14.683 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.250 3.153 15.965 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.906 1.768 15.410 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.494 0.921 16.010 1.00 0.00 H new ATOM 136 N PHE A 33 -1.684 3.052 12.921 1.00 0.00 N ATOM 137 CA PHE A 33 -1.269 2.542 11.623 1.00 0.00 C ATOM 138 C PHE A 33 0.245 2.677 11.436 1.00 0.00 C ATOM 139 O PHE A 33 0.836 3.707 11.764 1.00 0.00 O ATOM 140 CB PHE A 33 -2.017 3.269 10.500 1.00 0.00 C ATOM 141 CG PHE A 33 -1.678 2.761 9.129 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.079 1.496 8.730 1.00 0.00 C ATOM 143 CD2 PHE A 33 -0.962 3.545 8.239 1.00 0.00 C ATOM 144 CE1 PHE A 33 -1.772 1.023 7.471 1.00 0.00 C ATOM 145 CE2 PHE A 33 -0.652 3.078 6.979 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.057 1.815 6.593 1.00 0.00 C ATOM 0 H PHE A 33 -2.075 3.994 12.904 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.519 1.482 11.580 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.090 3.165 10.662 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.788 4.333 10.551 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.638 0.873 9.412 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.643 4.533 8.535 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.090 0.035 7.172 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.093 3.699 6.295 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.815 1.447 5.607 1.00 0.00 H new ATOM 156 N GLN A 34 0.861 1.617 10.919 1.00 0.00 N ATOM 157 CA GLN A 34 2.295 1.595 10.651 1.00 0.00 C ATOM 158 C GLN A 34 2.561 1.009 9.270 1.00 0.00 C ATOM 159 O GLN A 34 2.024 -0.047 8.924 1.00 0.00 O ATOM 160 CB GLN A 34 3.031 0.767 11.708 1.00 0.00 C ATOM 161 CG GLN A 34 3.046 1.408 13.084 1.00 0.00 C ATOM 162 CD GLN A 34 3.813 0.590 14.106 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.812 -0.723 13.945 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 4.402 1.138 15.037 1.00 0.00 N flip ATOM 0 H GLN A 34 0.381 0.751 10.675 1.00 0.00 H new ATOM 0 HA GLN A 34 2.664 2.620 10.687 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.562 -0.214 11.779 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.058 0.606 11.381 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.491 2.401 13.012 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.021 1.542 13.428 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.380 2.154 15.127 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.913 0.577 15.718 1.00 0.00 H new ATOM 173 N ALA A 35 3.387 1.692 8.488 1.00 0.00 N ATOM 174 CA ALA A 35 3.684 1.259 7.131 1.00 0.00 C ATOM 175 C ALA A 35 5.020 1.814 6.656 1.00 0.00 C ATOM 176 O ALA A 35 5.534 2.787 7.212 1.00 0.00 O ATOM 177 CB ALA A 35 2.573 1.694 6.187 1.00 0.00 C ATOM 0 H ALA A 35 3.863 2.548 8.771 1.00 0.00 H new ATOM 0 HA ALA A 35 3.749 0.171 7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.806 1.365 5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.630 1.249 6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.486 2.780 6.204 1.00 0.00 H new ATOM 183 N ARG A 36 5.578 1.183 5.634 1.00 0.00 N ATOM 184 CA ARG A 36 6.818 1.631 5.027 1.00 0.00 C ATOM 185 C ARG A 36 6.755 1.419 3.523 1.00 0.00 C ATOM 186 O ARG A 36 5.872 0.720 3.023 1.00 0.00 O ATOM 187 CB ARG A 36 8.019 0.867 5.592 1.00 0.00 C ATOM 188 CG ARG A 36 7.988 -0.624 5.305 1.00 0.00 C ATOM 189 CD ARG A 36 9.374 -1.240 5.395 1.00 0.00 C ATOM 190 NE ARG A 36 10.038 -0.928 6.661 1.00 0.00 N ATOM 191 CZ ARG A 36 11.166 -1.503 7.062 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.725 -2.448 6.318 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.735 -1.143 8.200 1.00 0.00 N ATOM 0 H ARG A 36 5.183 0.347 5.204 1.00 0.00 H new ATOM 0 HA ARG A 36 6.943 2.690 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.934 1.289 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.060 1.019 6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.323 -1.118 6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.577 -0.795 4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.297 -2.322 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.985 -0.878 4.568 1.00 0.00 H new ATOM 0 HE ARG A 36 9.611 -0.230 7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.289 -2.731 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.591 -2.892 6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.308 -0.419 8.777 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.601 -1.590 8.501 1.00 0.00 H new ATOM 206 N LEU A 37 7.686 2.026 2.813 1.00 0.00 N ATOM 207 CA LEU A 37 7.797 1.836 1.379 1.00 0.00 C ATOM 208 C LEU A 37 9.089 1.097 1.062 1.00 0.00 C ATOM 209 O LEU A 37 10.118 1.332 1.700 1.00 0.00 O ATOM 210 CB LEU A 37 7.756 3.189 0.670 1.00 0.00 C ATOM 211 CG LEU A 37 6.476 3.996 0.906 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.566 5.354 0.239 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.267 3.240 0.388 1.00 0.00 C ATOM 0 H LEU A 37 8.381 2.659 3.209 1.00 0.00 H new ATOM 0 HA LEU A 37 6.958 1.239 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.609 3.782 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.875 3.026 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 37 6.363 4.144 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.646 5.910 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.411 5.906 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.706 5.224 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.367 3.829 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.380 3.062 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.184 2.286 0.908 1.00 0.00 H new ATOM 225 N THR A 38 9.015 0.184 0.103 1.00 0.00 N ATOM 226 CA THR A 38 10.168 -0.623 -0.286 1.00 0.00 C ATOM 227 C THR A 38 11.241 0.227 -0.960 1.00 0.00 C ATOM 228 O THR A 38 10.998 1.371 -1.344 1.00 0.00 O ATOM 229 CB THR A 38 9.755 -1.764 -1.236 1.00 0.00 C ATOM 230 OG1 THR A 38 9.173 -1.226 -2.426 1.00 0.00 O ATOM 231 CG2 THR A 38 8.764 -2.696 -0.565 1.00 0.00 C ATOM 0 H THR A 38 8.165 -0.018 -0.423 1.00 0.00 H new ATOM 0 HA THR A 38 10.578 -1.050 0.629 1.00 0.00 H new ATOM 0 HB THR A 38 10.650 -2.331 -1.492 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.226 -1.890 -3.145 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.488 -3.493 -1.256 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.218 -3.130 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.872 -2.136 -0.282 1.00 0.00 H new ATOM 239 N ARG A 39 12.420 -0.359 -1.138 1.00 0.00 N ATOM 240 CA ARG A 39 13.585 0.378 -1.609 1.00 0.00 C ATOM 241 C ARG A 39 13.596 0.465 -3.134 1.00 0.00 C ATOM 242 O ARG A 39 14.585 0.113 -3.777 1.00 0.00 O ATOM 243 CB ARG A 39 14.890 -0.279 -1.117 1.00 0.00 C ATOM 244 CG ARG A 39 14.890 -0.681 0.357 1.00 0.00 C ATOM 245 CD ARG A 39 14.186 -2.014 0.589 1.00 0.00 C ATOM 246 NE ARG A 39 14.939 -3.145 0.042 1.00 0.00 N ATOM 247 CZ ARG A 39 14.531 -3.887 -0.985 1.00 0.00 C ATOM 248 NH1 ARG A 39 13.430 -3.561 -1.648 1.00 0.00 N ATOM 249 NH2 ARG A 39 15.245 -4.935 -1.370 1.00 0.00 N ATOM 0 H ARG A 39 12.594 -1.349 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 39 13.523 1.386 -1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.084 -1.166 -1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.715 0.411 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.918 -0.748 0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.398 0.095 0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.038 -2.163 1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.197 -1.984 0.132 1.00 0.00 H new ATOM 0 HE ARG A 39 15.832 -3.379 0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.893 -2.739 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.120 -4.132 -2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.107 -5.173 -0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.932 -5.504 -2.157 1.00 0.00 H new ATOM 262 N SER A 40 12.495 0.939 -3.704 1.00 0.00 N ATOM 263 CA SER A 40 12.373 1.060 -5.152 1.00 0.00 C ATOM 264 C SER A 40 13.202 2.230 -5.668 1.00 0.00 C ATOM 265 O SER A 40 14.235 2.038 -6.313 1.00 0.00 O ATOM 266 CB SER A 40 10.911 1.256 -5.546 1.00 0.00 C ATOM 267 OG SER A 40 10.095 0.249 -4.981 1.00 0.00 O ATOM 0 H SER A 40 11.672 1.246 -3.185 1.00 0.00 H new ATOM 0 HA SER A 40 12.746 0.140 -5.601 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.569 2.236 -5.213 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.818 1.238 -6.632 1.00 0.00 H new ATOM 0 HG SER A 40 10.283 -0.608 -5.418 1.00 0.00 H new ATOM 273 N ASN A 41 12.750 3.441 -5.374 1.00 0.00 N ATOM 274 CA ASN A 41 13.440 4.640 -5.826 1.00 0.00 C ATOM 275 C ASN A 41 14.055 5.356 -4.638 1.00 0.00 C ATOM 276 O ASN A 41 15.257 5.620 -4.606 1.00 0.00 O ATOM 277 CB ASN A 41 12.473 5.573 -6.559 1.00 0.00 C ATOM 278 CG ASN A 41 11.730 4.880 -7.687 1.00 0.00 C ATOM 279 OD1 ASN A 41 10.671 4.297 -7.472 1.00 0.00 O ATOM 280 ND2 ASN A 41 12.275 4.933 -8.891 1.00 0.00 N ATOM 0 H ASN A 41 11.909 3.619 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 41 14.230 4.350 -6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.752 5.974 -5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.028 6.420 -6.962 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.814 4.480 -9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.156 5.427 -9.031 1.00 0.00 H new ATOM 287 N SER A 42 13.221 5.644 -3.652 1.00 0.00 N ATOM 288 CA SER A 42 13.659 6.300 -2.440 1.00 0.00 C ATOM 289 C SER A 42 12.762 5.860 -1.284 1.00 0.00 C ATOM 290 O SER A 42 11.953 4.948 -1.454 1.00 0.00 O ATOM 291 CB SER A 42 13.631 7.818 -2.629 1.00 0.00 C ATOM 292 OG SER A 42 14.233 8.493 -1.536 1.00 0.00 O ATOM 0 H SER A 42 12.224 5.428 -3.673 1.00 0.00 H new ATOM 0 HA SER A 42 14.686 6.017 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.152 8.080 -3.550 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.599 8.152 -2.740 1.00 0.00 H new ATOM 0 HG SER A 42 14.238 9.457 -1.710 1.00 0.00 H new ATOM 298 N LYS A 43 12.885 6.491 -0.127 1.00 0.00 N ATOM 299 CA LYS A 43 12.132 6.052 1.046 1.00 0.00 C ATOM 300 C LYS A 43 10.670 6.493 0.965 1.00 0.00 C ATOM 301 O LYS A 43 9.790 5.857 1.545 1.00 0.00 O ATOM 302 CB LYS A 43 12.776 6.554 2.350 1.00 0.00 C ATOM 303 CG LYS A 43 12.580 8.036 2.647 1.00 0.00 C ATOM 304 CD LYS A 43 13.378 8.926 1.709 1.00 0.00 C ATOM 305 CE LYS A 43 13.310 10.378 2.147 1.00 0.00 C ATOM 306 NZ LYS A 43 13.855 10.560 3.519 1.00 0.00 N ATOM 0 H LYS A 43 13.489 7.298 0.029 1.00 0.00 H new ATOM 0 HA LYS A 43 12.158 4.962 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.370 5.977 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.845 6.347 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.522 8.283 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.876 8.240 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.417 8.598 1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.991 8.830 0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.871 10.997 1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.275 10.720 2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.519 11.360 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.075 10.752 4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.352 9.695 3.812 1.00 0.00 H new ATOM 319 N CYS A 44 10.404 7.570 0.235 1.00 0.00 N ATOM 320 CA CYS A 44 9.041 8.064 0.098 1.00 0.00 C ATOM 321 C CYS A 44 8.445 7.645 -1.243 1.00 0.00 C ATOM 322 O CYS A 44 7.444 8.210 -1.692 1.00 0.00 O ATOM 323 CB CYS A 44 8.991 9.591 0.236 1.00 0.00 C ATOM 324 SG CYS A 44 9.724 10.238 1.778 1.00 0.00 S ATOM 0 H CYS A 44 11.107 8.113 -0.266 1.00 0.00 H new ATOM 0 HA CYS A 44 8.449 7.623 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.510 10.037 -0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.952 9.914 0.180 1.00 0.00 H new ATOM 329 N GLN A 45 9.045 6.645 -1.878 1.00 0.00 N ATOM 330 CA GLN A 45 8.553 6.167 -3.163 1.00 0.00 C ATOM 331 C GLN A 45 8.887 4.693 -3.372 1.00 0.00 C ATOM 332 O GLN A 45 10.043 4.331 -3.605 1.00 0.00 O ATOM 333 CB GLN A 45 9.135 7.007 -4.300 1.00 0.00 C ATOM 334 CG GLN A 45 8.713 6.543 -5.686 1.00 0.00 C ATOM 335 CD GLN A 45 9.202 7.465 -6.784 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.253 8.090 -6.664 1.00 0.00 O ATOM 337 NE2 GLN A 45 8.431 7.573 -7.852 1.00 0.00 N ATOM 0 H GLN A 45 9.867 6.153 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 45 7.468 6.269 -3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.829 8.045 -4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.223 6.985 -4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.099 5.539 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.626 6.479 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.566 7.036 -7.913 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.701 8.193 -8.616 1.00 0.00 H new ATOM 346 N GLY A 46 7.865 3.852 -3.301 1.00 0.00 N ATOM 347 CA GLY A 46 8.052 2.428 -3.490 1.00 0.00 C ATOM 348 C GLY A 46 6.794 1.649 -3.170 1.00 0.00 C ATOM 349 O GLY A 46 5.707 2.227 -3.113 1.00 0.00 O ATOM 0 H GLY A 46 6.903 4.134 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.348 2.234 -4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.866 2.081 -2.854 1.00 0.00 H new ATOM 353 N GLN A 47 6.931 0.342 -2.965 1.00 0.00 N ATOM 354 CA GLN A 47 5.783 -0.511 -2.675 1.00 0.00 C ATOM 355 C GLN A 47 5.348 -0.322 -1.233 1.00 0.00 C ATOM 356 O GLN A 47 6.176 -0.103 -0.352 1.00 0.00 O ATOM 357 CB GLN A 47 6.096 -1.996 -2.924 1.00 0.00 C ATOM 358 CG GLN A 47 6.307 -2.379 -4.387 1.00 0.00 C ATOM 359 CD GLN A 47 7.600 -1.844 -4.965 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.648 -2.479 -4.857 1.00 0.00 O ATOM 361 NE2 GLN A 47 7.531 -0.688 -5.603 1.00 0.00 N ATOM 0 H GLN A 47 7.825 -0.149 -2.994 1.00 0.00 H new ATOM 0 HA GLN A 47 4.978 -0.218 -3.349 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.992 -2.261 -2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.279 -2.595 -2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.299 -3.465 -4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.471 -2.005 -4.978 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.641 -0.194 -5.669 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.368 -0.290 -6.029 1.00 0.00 H new ATOM 370 N LEU A 48 4.051 -0.408 -0.996 1.00 0.00 N ATOM 371 CA LEU A 48 3.510 -0.193 0.337 1.00 0.00 C ATOM 372 C LEU A 48 3.544 -1.479 1.155 1.00 0.00 C ATOM 373 O LEU A 48 2.893 -2.466 0.806 1.00 0.00 O ATOM 374 CB LEU A 48 2.072 0.332 0.255 1.00 0.00 C ATOM 375 CG LEU A 48 1.448 0.754 1.588 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.198 1.935 2.190 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.021 1.094 1.398 1.00 0.00 C ATOM 0 H LEU A 48 3.353 -0.625 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 48 4.133 0.551 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.054 1.186 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.446 -0.441 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 48 1.525 -0.083 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.735 2.216 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.237 1.656 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.159 2.780 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.452 1.392 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.116 1.914 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.551 0.220 1.018 1.00 0.00 H new ATOM 389 N GLU A 49 4.323 -1.464 2.226 1.00 0.00 N ATOM 390 CA GLU A 49 4.342 -2.560 3.185 1.00 0.00 C ATOM 391 C GLU A 49 3.743 -2.094 4.499 1.00 0.00 C ATOM 392 O GLU A 49 4.197 -1.110 5.081 1.00 0.00 O ATOM 393 CB GLU A 49 5.764 -3.073 3.428 1.00 0.00 C ATOM 394 CG GLU A 49 6.410 -3.709 2.213 1.00 0.00 C ATOM 395 CD GLU A 49 7.814 -4.211 2.494 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.715 -3.380 2.733 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.024 -5.444 2.481 1.00 0.00 O ATOM 0 H GLU A 49 4.956 -0.698 2.455 1.00 0.00 H new ATOM 0 HA GLU A 49 3.753 -3.379 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.386 -2.243 3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.742 -3.802 4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.793 -4.540 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.444 -2.982 1.402 1.00 0.00 H new ATOM 404 N VAL A 50 2.723 -2.791 4.958 1.00 0.00 N ATOM 405 CA VAL A 50 2.069 -2.437 6.206 1.00 0.00 C ATOM 406 C VAL A 50 2.418 -3.447 7.287 1.00 0.00 C ATOM 407 O VAL A 50 2.740 -4.599 6.989 1.00 0.00 O ATOM 408 CB VAL A 50 0.533 -2.344 6.051 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.163 -1.258 5.055 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.059 -3.680 5.620 1.00 0.00 C ATOM 0 H VAL A 50 2.328 -3.605 4.488 1.00 0.00 H new ATOM 0 HA VAL A 50 2.433 -1.451 6.494 1.00 0.00 H new ATOM 0 HB VAL A 50 0.114 -2.086 7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.922 -1.207 4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.542 -0.298 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.603 -1.489 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.140 -3.583 5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.370 -3.976 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.169 -4.438 6.369 1.00 0.00 H new ATOM 420 N TYR A 51 2.374 -3.010 8.535 1.00 0.00 N ATOM 421 CA TYR A 51 2.714 -3.880 9.647 1.00 0.00 C ATOM 422 C TYR A 51 1.462 -4.546 10.201 1.00 0.00 C ATOM 423 O TYR A 51 0.593 -3.883 10.771 1.00 0.00 O ATOM 424 CB TYR A 51 3.429 -3.101 10.755 1.00 0.00 C ATOM 425 CG TYR A 51 4.009 -3.992 11.834 1.00 0.00 C ATOM 426 CD1 TYR A 51 5.271 -4.559 11.689 1.00 0.00 C ATOM 427 CD2 TYR A 51 3.291 -4.278 12.990 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.798 -5.382 12.667 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.815 -5.098 13.971 1.00 0.00 C ATOM 430 CZ TYR A 51 5.067 -5.648 13.804 1.00 0.00 C ATOM 431 OH TYR A 51 5.589 -6.471 14.778 1.00 0.00 O ATOM 0 H TYR A 51 2.107 -2.062 8.802 1.00 0.00 H new ATOM 0 HA TYR A 51 3.391 -4.650 9.278 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.230 -2.508 10.314 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.727 -2.402 11.209 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.848 -4.353 10.799 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.307 -3.852 13.123 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.779 -5.815 12.540 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.246 -5.307 14.865 1.00 0.00 H new ATOM 0 HH TYR A 51 4.947 -6.555 15.514 1.00 0.00 H new ATOM 441 N LEU A 52 1.379 -5.852 10.023 1.00 0.00 N ATOM 442 CA LEU A 52 0.252 -6.628 10.514 1.00 0.00 C ATOM 443 C LEU A 52 0.699 -7.547 11.649 1.00 0.00 C ATOM 444 O LEU A 52 1.826 -7.434 12.137 1.00 0.00 O ATOM 445 CB LEU A 52 -0.350 -7.463 9.378 1.00 0.00 C ATOM 446 CG LEU A 52 -0.855 -6.673 8.170 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.285 -7.625 7.068 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.016 -5.771 8.562 1.00 0.00 C ATOM 0 H LEU A 52 2.086 -6.403 9.537 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.506 -5.941 10.891 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.403 -8.173 9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.179 -8.046 9.780 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.041 -6.047 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.643 -7.053 6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.436 -8.238 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.085 -8.268 7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.359 -5.219 7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.833 -6.378 8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.689 -5.069 9.329 1.00 0.00 H new ATOM 460 N LYS A 53 -0.186 -8.451 12.055 1.00 0.00 N ATOM 461 CA LYS A 53 0.113 -9.440 13.086 1.00 0.00 C ATOM 462 C LYS A 53 1.410 -10.191 12.781 1.00 0.00 C ATOM 463 O LYS A 53 2.279 -10.325 13.646 1.00 0.00 O ATOM 464 CB LYS A 53 -1.063 -10.421 13.194 1.00 0.00 C ATOM 465 CG LYS A 53 -0.772 -11.685 13.988 1.00 0.00 C ATOM 466 CD LYS A 53 -1.975 -12.617 13.982 1.00 0.00 C ATOM 467 CE LYS A 53 -1.629 -13.986 14.538 1.00 0.00 C ATOM 468 NZ LYS A 53 -1.147 -13.909 15.940 1.00 0.00 N ATOM 0 H LYS A 53 -1.132 -8.519 11.679 1.00 0.00 H new ATOM 0 HA LYS A 53 0.253 -8.925 14.037 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.906 -9.906 13.655 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.374 -10.705 12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.092 -12.196 13.563 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.514 -11.424 15.014 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.779 -12.177 14.573 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.349 -12.722 12.963 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.508 -14.629 14.491 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.862 -14.447 13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.034 -14.870 16.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.231 -13.417 15.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.837 -13.386 16.516 1.00 0.00 H new ATOM 481 N ASP A 54 1.544 -10.651 11.544 1.00 0.00 N ATOM 482 CA ASP A 54 2.696 -11.455 11.146 1.00 0.00 C ATOM 483 C ASP A 54 3.898 -10.600 10.746 1.00 0.00 C ATOM 484 O ASP A 54 4.935 -11.135 10.354 1.00 0.00 O ATOM 485 CB ASP A 54 2.331 -12.400 9.996 1.00 0.00 C ATOM 486 CG ASP A 54 1.751 -11.685 8.789 1.00 0.00 C ATOM 487 OD1 ASP A 54 2.374 -10.725 8.294 1.00 0.00 O ATOM 488 OD2 ASP A 54 0.676 -12.103 8.315 1.00 0.00 O ATOM 0 H ASP A 54 0.870 -10.482 10.797 1.00 0.00 H new ATOM 0 HA ASP A 54 2.981 -12.039 12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.222 -12.949 9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.610 -13.135 10.354 1.00 0.00 H new ATOM 493 N GLY A 55 3.762 -9.286 10.840 1.00 0.00 N ATOM 494 CA GLY A 55 4.867 -8.404 10.519 1.00 0.00 C ATOM 495 C GLY A 55 4.616 -7.589 9.266 1.00 0.00 C ATOM 496 O GLY A 55 3.488 -7.172 9.007 1.00 0.00 O ATOM 0 H GLY A 55 2.907 -8.814 11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.045 -7.730 11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.773 -8.995 10.388 1.00 0.00 H new ATOM 500 N TRP A 56 5.668 -7.361 8.489 1.00 0.00 N ATOM 501 CA TRP A 56 5.566 -6.551 7.278 1.00 0.00 C ATOM 502 C TRP A 56 4.962 -7.350 6.131 1.00 0.00 C ATOM 503 O TRP A 56 5.335 -8.498 5.894 1.00 0.00 O ATOM 504 CB TRP A 56 6.941 -6.022 6.858 1.00 0.00 C ATOM 505 CG TRP A 56 7.533 -5.046 7.823 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.620 -5.244 8.625 1.00 0.00 C ATOM 507 CD2 TRP A 56 7.074 -3.716 8.088 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.867 -4.115 9.367 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.931 -3.164 9.058 1.00 0.00 C ATOM 510 CE3 TRP A 56 6.022 -2.937 7.599 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.767 -1.870 9.544 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.860 -1.656 8.082 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.727 -1.133 9.046 1.00 0.00 C ATOM 0 H TRP A 56 6.603 -7.725 8.675 1.00 0.00 H new ATOM 0 HA TRP A 56 4.912 -5.709 7.505 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.624 -6.864 6.742 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.854 -5.546 5.881 1.00 0.00 H new ATOM 0 HD1 TRP A 56 9.200 -6.154 8.669 1.00 0.00 H new ATOM 0 HE1 TRP A 56 9.625 -4.003 10.040 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.347 -3.332 6.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.436 -1.462 10.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.050 -1.046 7.710 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.573 -0.126 9.405 1.00 0.00 H new ATOM 524 N HIS A 57 4.023 -6.736 5.425 1.00 0.00 N ATOM 525 CA HIS A 57 3.414 -7.358 4.263 1.00 0.00 C ATOM 526 C HIS A 57 3.084 -6.314 3.201 1.00 0.00 C ATOM 527 O HIS A 57 2.556 -5.244 3.508 1.00 0.00 O ATOM 528 CB HIS A 57 2.155 -8.126 4.663 1.00 0.00 C ATOM 529 CG HIS A 57 2.320 -9.614 4.579 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.402 -10.438 5.681 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.407 -10.431 3.502 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.532 -11.688 5.287 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.538 -11.713 3.968 1.00 0.00 N ATOM 0 H HIS A 57 3.667 -5.805 5.639 1.00 0.00 H new ATOM 0 HA HIS A 57 4.131 -8.062 3.841 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.880 -7.854 5.682 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.331 -7.821 4.018 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.367 -10.128 6.652 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.378 -10.128 2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.619 -12.548 5.935 1.00 0.00 H new ATOM 541 N MET A 58 3.409 -6.641 1.957 1.00 0.00 N ATOM 542 CA MET A 58 3.177 -5.755 0.820 1.00 0.00 C ATOM 543 C MET A 58 1.699 -5.731 0.455 1.00 0.00 C ATOM 544 O MET A 58 1.000 -6.718 0.645 1.00 0.00 O ATOM 545 CB MET A 58 3.975 -6.240 -0.394 1.00 0.00 C ATOM 546 CG MET A 58 5.475 -6.332 -0.161 1.00 0.00 C ATOM 547 SD MET A 58 6.321 -7.215 -1.488 1.00 0.00 S ATOM 548 CE MET A 58 5.759 -6.293 -2.917 1.00 0.00 C ATOM 0 H MET A 58 3.842 -7.530 1.706 1.00 0.00 H new ATOM 0 HA MET A 58 3.498 -4.752 1.100 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.604 -7.222 -0.689 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.790 -5.565 -1.229 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.889 -5.328 -0.074 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.663 -6.837 0.786 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.386 -6.534 -3.775 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.725 -6.558 -3.137 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.823 -5.225 -2.709 1.00 0.00 H new ATOM 558 N VAL A 59 1.230 -4.618 -0.083 1.00 0.00 N ATOM 559 CA VAL A 59 -0.159 -4.509 -0.507 1.00 0.00 C ATOM 560 C VAL A 59 -0.286 -4.795 -2.003 1.00 0.00 C ATOM 561 O VAL A 59 0.504 -4.301 -2.810 1.00 0.00 O ATOM 562 CB VAL A 59 -0.744 -3.113 -0.195 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.219 -3.043 -0.561 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.544 -2.760 1.271 1.00 0.00 C ATOM 0 H VAL A 59 1.788 -3.778 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.728 -5.250 0.054 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.208 -2.384 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.604 -2.050 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.339 -3.241 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.772 -3.788 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.963 -1.773 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.046 -3.499 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.521 -2.754 1.502 1.00 0.00 H new ATOM 574 N CYS A 60 -1.271 -5.608 -2.363 1.00 0.00 N ATOM 575 CA CYS A 60 -1.500 -5.970 -3.755 1.00 0.00 C ATOM 576 C CYS A 60 -2.512 -5.016 -4.391 1.00 0.00 C ATOM 577 O CYS A 60 -3.439 -4.548 -3.722 1.00 0.00 O ATOM 578 CB CYS A 60 -2.004 -7.415 -3.838 1.00 0.00 C ATOM 579 SG CYS A 60 -1.945 -8.137 -5.508 1.00 0.00 S ATOM 0 H CYS A 60 -1.927 -6.031 -1.706 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.561 -5.891 -4.302 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.409 -8.034 -3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.032 -7.450 -3.476 1.00 0.00 H new ATOM 584 N SER A 61 -2.343 -4.751 -5.686 1.00 0.00 N ATOM 585 CA SER A 61 -3.173 -3.778 -6.403 1.00 0.00 C ATOM 586 C SER A 61 -4.520 -4.372 -6.832 1.00 0.00 C ATOM 587 O SER A 61 -5.061 -4.020 -7.877 1.00 0.00 O ATOM 588 CB SER A 61 -2.420 -3.266 -7.631 1.00 0.00 C ATOM 589 OG SER A 61 -1.130 -2.795 -7.276 1.00 0.00 O ATOM 0 H SER A 61 -1.634 -5.199 -6.266 1.00 0.00 H new ATOM 0 HA SER A 61 -3.380 -2.954 -5.720 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.330 -4.066 -8.366 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.988 -2.463 -8.102 1.00 0.00 H new ATOM 0 HG SER A 61 -0.534 -3.558 -7.122 1.00 0.00 H new ATOM 595 N GLN A 62 -5.043 -5.282 -6.030 1.00 0.00 N ATOM 596 CA GLN A 62 -6.370 -5.833 -6.266 1.00 0.00 C ATOM 597 C GLN A 62 -7.165 -5.789 -4.962 1.00 0.00 C ATOM 598 O GLN A 62 -8.022 -6.631 -4.698 1.00 0.00 O ATOM 599 CB GLN A 62 -6.263 -7.267 -6.807 1.00 0.00 C ATOM 600 CG GLN A 62 -7.583 -7.862 -7.296 1.00 0.00 C ATOM 601 CD GLN A 62 -8.074 -7.290 -8.621 1.00 0.00 C ATOM 602 OE1 GLN A 62 -7.752 -6.038 -8.909 1.00 0.00 O flip ATOM 603 NE2 GLN A 62 -8.753 -7.977 -9.387 1.00 0.00 N flip ATOM 0 H GLN A 62 -4.570 -5.657 -5.208 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.891 -5.238 -7.016 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.547 -7.279 -7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.859 -7.908 -6.023 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.466 -8.941 -7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.347 -7.696 -6.536 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.986 -8.939 -9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.082 -7.584 -10.269 1.00 0.00 H new ATOM 612 N SER A 63 -6.870 -4.788 -4.145 1.00 0.00 N ATOM 613 CA SER A 63 -7.486 -4.668 -2.838 1.00 0.00 C ATOM 614 C SER A 63 -8.608 -3.635 -2.861 1.00 0.00 C ATOM 615 O SER A 63 -8.618 -2.738 -3.706 1.00 0.00 O ATOM 616 CB SER A 63 -6.429 -4.272 -1.800 1.00 0.00 C ATOM 617 OG SER A 63 -5.379 -5.228 -1.750 1.00 0.00 O ATOM 0 H SER A 63 -6.206 -4.047 -4.368 1.00 0.00 H new ATOM 0 HA SER A 63 -7.914 -5.633 -2.567 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.021 -3.292 -2.047 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.894 -4.186 -0.818 1.00 0.00 H new ATOM 0 HG SER A 63 -4.704 -5.008 -2.425 1.00 0.00 H new ATOM 623 N TRP A 64 -9.553 -3.789 -1.939 1.00 0.00 N ATOM 624 CA TRP A 64 -10.657 -2.844 -1.767 1.00 0.00 C ATOM 625 C TRP A 64 -11.491 -2.710 -3.039 1.00 0.00 C ATOM 626 O TRP A 64 -12.110 -1.670 -3.279 1.00 0.00 O ATOM 627 CB TRP A 64 -10.120 -1.472 -1.345 1.00 0.00 C ATOM 628 CG TRP A 64 -9.247 -1.528 -0.128 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.621 -1.879 1.136 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.849 -1.223 -0.063 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.543 -1.810 1.982 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.444 -1.411 1.272 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.903 -0.813 -1.003 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.132 -1.200 1.686 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.601 -0.603 -0.591 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.228 -0.798 0.743 1.00 0.00 C ATOM 0 H TRP A 64 -9.577 -4.573 -1.287 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.305 -3.235 -0.983 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.554 -1.041 -2.171 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.960 -0.804 -1.151 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.620 -2.169 1.428 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.559 -2.022 2.980 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.184 -0.662 -2.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.839 -1.349 2.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.860 -0.284 -1.309 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.202 -0.627 1.034 1.00 0.00 H new ATOM 647 N GLY A 65 -11.507 -3.767 -3.844 1.00 0.00 N ATOM 648 CA GLY A 65 -12.262 -3.749 -5.080 1.00 0.00 C ATOM 649 C GLY A 65 -11.652 -2.840 -6.131 1.00 0.00 C ATOM 650 O GLY A 65 -12.330 -2.439 -7.075 1.00 0.00 O ATOM 0 H GLY A 65 -11.008 -4.638 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.325 -4.763 -5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.281 -3.423 -4.873 1.00 0.00 H new ATOM 654 N ARG A 66 -10.377 -2.508 -5.969 1.00 0.00 N ATOM 655 CA ARG A 66 -9.679 -1.674 -6.936 1.00 0.00 C ATOM 656 C ARG A 66 -8.811 -2.528 -7.844 1.00 0.00 C ATOM 657 O ARG A 66 -8.270 -3.552 -7.425 1.00 0.00 O ATOM 658 CB ARG A 66 -8.813 -0.619 -6.240 1.00 0.00 C ATOM 659 CG ARG A 66 -9.601 0.453 -5.504 1.00 0.00 C ATOM 660 CD ARG A 66 -10.528 1.218 -6.441 1.00 0.00 C ATOM 661 NE ARG A 66 -11.049 2.438 -5.825 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.137 2.482 -5.060 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.790 1.367 -4.756 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.578 3.641 -4.603 1.00 0.00 N ATOM 0 H ARG A 66 -9.807 -2.804 -5.177 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.433 -1.161 -7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.152 -1.118 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.178 -0.139 -6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.187 -0.008 -4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.911 1.149 -5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.989 1.475 -7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.359 0.576 -6.732 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.547 3.310 -5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.458 0.469 -5.109 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.623 1.408 -4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.084 4.502 -4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.412 3.674 -4.017 1.00 0.00 H new ATOM 677 N SER A 67 -8.693 -2.100 -9.088 1.00 0.00 N ATOM 678 CA SER A 67 -7.903 -2.804 -10.080 1.00 0.00 C ATOM 679 C SER A 67 -6.653 -2.001 -10.435 1.00 0.00 C ATOM 680 O SER A 67 -6.299 -1.054 -9.729 1.00 0.00 O ATOM 681 CB SER A 67 -8.759 -3.061 -11.324 1.00 0.00 C ATOM 682 OG SER A 67 -9.364 -1.866 -11.794 1.00 0.00 O ATOM 0 H SER A 67 -9.143 -1.254 -9.438 1.00 0.00 H new ATOM 0 HA SER A 67 -7.579 -3.761 -9.671 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.139 -3.491 -12.111 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.531 -3.794 -11.091 1.00 0.00 H new ATOM 0 HG SER A 67 -9.902 -2.063 -12.589 1.00 0.00 H new ATOM 688 N SER A 68 -5.990 -2.373 -11.526 1.00 0.00 N ATOM 689 CA SER A 68 -4.804 -1.659 -11.982 1.00 0.00 C ATOM 690 C SER A 68 -5.203 -0.326 -12.620 1.00 0.00 C ATOM 691 O SER A 68 -5.130 -0.155 -13.836 1.00 0.00 O ATOM 692 CB SER A 68 -4.021 -2.524 -12.975 1.00 0.00 C ATOM 693 OG SER A 68 -2.766 -1.944 -13.297 1.00 0.00 O ATOM 0 H SER A 68 -6.255 -3.166 -12.111 1.00 0.00 H new ATOM 0 HA SER A 68 -4.163 -1.450 -11.126 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.866 -3.516 -12.551 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.606 -2.655 -13.885 1.00 0.00 H new ATOM 0 HG SER A 68 -2.292 -2.522 -13.931 1.00 0.00 H new ATOM 699 N LYS A 69 -5.646 0.605 -11.791 1.00 0.00 N ATOM 700 CA LYS A 69 -6.080 1.914 -12.251 1.00 0.00 C ATOM 701 C LYS A 69 -5.405 3.008 -11.437 1.00 0.00 C ATOM 702 O LYS A 69 -5.088 2.809 -10.265 1.00 0.00 O ATOM 703 CB LYS A 69 -7.600 2.061 -12.091 1.00 0.00 C ATOM 704 CG LYS A 69 -8.440 1.088 -12.909 1.00 0.00 C ATOM 705 CD LYS A 69 -8.811 1.651 -14.276 1.00 0.00 C ATOM 706 CE LYS A 69 -7.648 1.625 -15.256 1.00 0.00 C ATOM 707 NZ LYS A 69 -7.182 0.240 -15.529 1.00 0.00 N ATOM 0 H LYS A 69 -5.715 0.475 -10.782 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.807 2.008 -13.302 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.851 1.935 -11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.881 3.078 -12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.889 0.157 -13.040 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.350 0.846 -12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.641 1.077 -14.688 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.160 2.677 -14.159 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.951 2.097 -16.191 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.822 2.213 -14.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.589 0.235 -16.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.626 -0.105 -14.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.004 -0.381 -15.674 1.00 0.00 H new ATOM 720 N GLN A 70 -5.183 4.152 -12.062 1.00 0.00 N ATOM 721 CA GLN A 70 -4.753 5.340 -11.344 1.00 0.00 C ATOM 722 C GLN A 70 -5.930 6.296 -11.214 1.00 0.00 C ATOM 723 O GLN A 70 -6.109 7.192 -12.041 1.00 0.00 O ATOM 724 CB GLN A 70 -3.584 6.036 -12.048 1.00 0.00 C ATOM 725 CG GLN A 70 -2.251 5.322 -11.895 1.00 0.00 C ATOM 726 CD GLN A 70 -1.087 6.135 -12.434 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.203 7.456 -12.383 1.00 0.00 O flip ATOM 728 NE2 GLN A 70 -0.089 5.579 -12.899 1.00 0.00 N flip ATOM 0 H GLN A 70 -5.294 4.283 -13.067 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.405 5.038 -10.356 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.815 6.126 -13.109 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.489 7.048 -11.655 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.079 5.103 -10.841 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.293 4.366 -12.416 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.036 4.561 -12.921 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.684 6.138 -13.261 1.00 0.00 H new ATOM 737 N TRP A 71 -6.741 6.086 -10.184 1.00 0.00 N ATOM 738 CA TRP A 71 -7.930 6.896 -9.968 1.00 0.00 C ATOM 739 C TRP A 71 -7.549 8.336 -9.647 1.00 0.00 C ATOM 740 O TRP A 71 -6.407 8.625 -9.277 1.00 0.00 O ATOM 741 CB TRP A 71 -8.796 6.298 -8.848 1.00 0.00 C ATOM 742 CG TRP A 71 -8.043 6.023 -7.583 1.00 0.00 C ATOM 743 CD1 TRP A 71 -7.791 6.904 -6.574 1.00 0.00 C ATOM 744 CD2 TRP A 71 -7.457 4.779 -7.188 1.00 0.00 C ATOM 745 NE1 TRP A 71 -7.072 6.288 -5.580 1.00 0.00 N ATOM 746 CE2 TRP A 71 -6.858 4.980 -5.931 1.00 0.00 C ATOM 747 CE3 TRP A 71 -7.379 3.514 -7.776 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -6.191 3.964 -5.254 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -6.716 2.505 -7.103 1.00 0.00 C ATOM 750 CH2 TRP A 71 -6.132 2.734 -5.854 1.00 0.00 C ATOM 0 H TRP A 71 -6.595 5.359 -9.484 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.516 6.897 -10.887 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -9.616 6.983 -8.630 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.242 5.369 -9.203 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.110 7.936 -6.559 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.749 6.731 -4.720 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.829 3.328 -8.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.736 4.139 -4.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.648 1.524 -7.549 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -5.624 1.924 -5.352 1.00 0.00 H new ATOM 761 N GLU A 72 -8.514 9.231 -9.762 1.00 0.00 N ATOM 762 CA GLU A 72 -8.251 10.659 -9.674 1.00 0.00 C ATOM 763 C GLU A 72 -8.269 11.127 -8.218 1.00 0.00 C ATOM 764 O GLU A 72 -8.947 12.098 -7.867 1.00 0.00 O ATOM 765 CB GLU A 72 -9.285 11.425 -10.507 1.00 0.00 C ATOM 766 CG GLU A 72 -8.867 12.839 -10.861 1.00 0.00 C ATOM 767 CD GLU A 72 -9.904 13.547 -11.704 1.00 0.00 C ATOM 768 OE1 GLU A 72 -9.842 13.436 -12.947 1.00 0.00 O ATOM 769 OE2 GLU A 72 -10.791 14.211 -11.126 1.00 0.00 O ATOM 0 H GLU A 72 -9.494 8.993 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.257 10.861 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.476 10.873 -11.427 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.225 11.462 -9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.697 13.406 -9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.920 12.812 -11.400 1.00 0.00 H new ATOM 776 N ASP A 73 -7.533 10.419 -7.372 1.00 0.00 N ATOM 777 CA ASP A 73 -7.399 10.789 -5.966 1.00 0.00 C ATOM 778 C ASP A 73 -6.175 10.115 -5.358 1.00 0.00 C ATOM 779 O ASP A 73 -6.286 9.084 -4.692 1.00 0.00 O ATOM 780 CB ASP A 73 -8.646 10.393 -5.171 1.00 0.00 C ATOM 781 CG ASP A 73 -8.724 11.089 -3.820 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.790 10.950 -3.001 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.730 11.787 -3.570 1.00 0.00 O ATOM 0 H ASP A 73 -7.016 9.580 -7.635 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.282 11.872 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.535 10.636 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.649 9.313 -5.020 1.00 0.00 H new ATOM 788 N PRO A 74 -4.980 10.668 -5.593 1.00 0.00 N ATOM 789 CA PRO A 74 -3.748 10.152 -5.002 1.00 0.00 C ATOM 790 C PRO A 74 -3.635 10.540 -3.533 1.00 0.00 C ATOM 791 O PRO A 74 -2.865 9.950 -2.773 1.00 0.00 O ATOM 792 CB PRO A 74 -2.634 10.817 -5.822 1.00 0.00 C ATOM 793 CG PRO A 74 -3.319 11.543 -6.936 1.00 0.00 C ATOM 794 CD PRO A 74 -4.716 11.821 -6.459 1.00 0.00 C ATOM 0 HA PRO A 74 -3.703 9.063 -5.028 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.054 11.505 -5.207 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.938 10.073 -6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.798 12.470 -7.175 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.331 10.940 -7.844 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.781 12.763 -5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.424 11.881 -7.285 1.00 0.00 H new ATOM 802 N SER A 75 -4.441 11.519 -3.143 1.00 0.00 N ATOM 803 CA SER A 75 -4.448 12.045 -1.786 1.00 0.00 C ATOM 804 C SER A 75 -5.011 11.039 -0.782 1.00 0.00 C ATOM 805 O SER A 75 -5.023 11.299 0.424 1.00 0.00 O ATOM 806 CB SER A 75 -5.258 13.341 -1.757 1.00 0.00 C ATOM 807 OG SER A 75 -6.427 13.222 -2.556 1.00 0.00 O ATOM 0 H SER A 75 -5.112 11.972 -3.763 1.00 0.00 H new ATOM 0 HA SER A 75 -3.418 12.243 -1.490 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.536 13.579 -0.730 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.646 14.166 -2.121 1.00 0.00 H new ATOM 0 HG SER A 75 -6.792 12.317 -2.469 1.00 0.00 H new ATOM 813 N GLN A 76 -5.467 9.889 -1.280 1.00 0.00 N ATOM 814 CA GLN A 76 -5.979 8.826 -0.421 1.00 0.00 C ATOM 815 C GLN A 76 -4.964 8.429 0.647 1.00 0.00 C ATOM 816 O GLN A 76 -5.340 8.049 1.749 1.00 0.00 O ATOM 817 CB GLN A 76 -6.355 7.591 -1.248 1.00 0.00 C ATOM 818 CG GLN A 76 -7.606 7.767 -2.091 1.00 0.00 C ATOM 819 CD GLN A 76 -8.828 8.098 -1.260 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.524 7.208 -0.770 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.111 9.380 -1.115 1.00 0.00 N ATOM 0 H GLN A 76 -5.491 9.672 -2.276 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.869 9.216 0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.521 7.338 -1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.499 6.746 -0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.440 8.561 -2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.791 6.852 -2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.508 10.086 -1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.932 9.664 -0.581 1.00 0.00 H new ATOM 830 N ALA A 77 -3.682 8.541 0.325 1.00 0.00 N ATOM 831 CA ALA A 77 -2.629 8.098 1.230 1.00 0.00 C ATOM 832 C ALA A 77 -1.834 9.275 1.787 1.00 0.00 C ATOM 833 O ALA A 77 -0.650 9.144 2.100 1.00 0.00 O ATOM 834 CB ALA A 77 -1.702 7.124 0.520 1.00 0.00 C ATOM 0 H ALA A 77 -3.346 8.934 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.104 7.592 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.920 6.800 1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.272 6.258 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.249 7.615 -0.341 1.00 0.00 H new ATOM 840 N SER A 78 -2.493 10.419 1.914 1.00 0.00 N ATOM 841 CA SER A 78 -1.862 11.614 2.462 1.00 0.00 C ATOM 842 C SER A 78 -1.330 11.363 3.876 1.00 0.00 C ATOM 843 O SER A 78 -0.255 11.846 4.239 1.00 0.00 O ATOM 844 CB SER A 78 -2.859 12.777 2.457 1.00 0.00 C ATOM 845 OG SER A 78 -4.134 12.357 2.918 1.00 0.00 O ATOM 0 H SER A 78 -3.468 10.546 1.644 1.00 0.00 H new ATOM 0 HA SER A 78 -1.011 11.873 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.487 13.582 3.090 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.948 13.180 1.448 1.00 0.00 H new ATOM 0 HG SER A 78 -4.665 12.034 2.161 1.00 0.00 H new ATOM 851 N LYS A 79 -2.070 10.585 4.663 1.00 0.00 N ATOM 852 CA LYS A 79 -1.663 10.279 6.029 1.00 0.00 C ATOM 853 C LYS A 79 -0.442 9.361 6.052 1.00 0.00 C ATOM 854 O LYS A 79 0.368 9.429 6.975 1.00 0.00 O ATOM 855 CB LYS A 79 -2.813 9.646 6.815 1.00 0.00 C ATOM 856 CG LYS A 79 -4.063 10.514 6.934 1.00 0.00 C ATOM 857 CD LYS A 79 -3.828 11.793 7.732 1.00 0.00 C ATOM 858 CE LYS A 79 -3.206 12.894 6.886 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.967 14.132 7.673 1.00 0.00 N ATOM 0 H LYS A 79 -2.951 10.157 4.378 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.392 11.221 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.086 8.705 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.459 9.404 7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.414 10.775 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.856 9.936 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.776 12.143 8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.177 11.576 8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.263 12.542 6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.862 13.120 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.704 14.906 7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.833 14.389 8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.196 13.968 8.352 1.00 0.00 H new ATOM 872 N VAL A 80 -0.301 8.513 5.034 1.00 0.00 N ATOM 873 CA VAL A 80 0.861 7.632 4.936 1.00 0.00 C ATOM 874 C VAL A 80 2.122 8.458 4.720 1.00 0.00 C ATOM 875 O VAL A 80 3.141 8.239 5.376 1.00 0.00 O ATOM 876 CB VAL A 80 0.725 6.598 3.792 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.998 5.768 3.662 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.473 5.690 4.021 1.00 0.00 C ATOM 0 H VAL A 80 -0.971 8.418 4.271 1.00 0.00 H new ATOM 0 HA VAL A 80 0.924 7.082 5.875 1.00 0.00 H new ATOM 0 HB VAL A 80 0.569 7.145 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.881 5.047 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.840 6.425 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.183 5.237 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.547 4.972 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.350 5.156 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.382 6.290 4.060 1.00 0.00 H new ATOM 888 N CYS A 81 2.039 9.424 3.812 1.00 0.00 N ATOM 889 CA CYS A 81 3.150 10.330 3.563 1.00 0.00 C ATOM 890 C CYS A 81 3.509 11.091 4.839 1.00 0.00 C ATOM 891 O CYS A 81 4.683 11.315 5.126 1.00 0.00 O ATOM 892 CB CYS A 81 2.804 11.308 2.437 1.00 0.00 C ATOM 893 SG CYS A 81 2.429 10.509 0.840 1.00 0.00 S ATOM 0 H CYS A 81 1.214 9.598 3.238 1.00 0.00 H new ATOM 0 HA CYS A 81 4.014 9.742 3.253 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.945 11.906 2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.638 11.996 2.299 1.00 0.00 H new ATOM 898 N GLN A 82 2.490 11.464 5.610 1.00 0.00 N ATOM 899 CA GLN A 82 2.694 12.136 6.892 1.00 0.00 C ATOM 900 C GLN A 82 3.420 11.221 7.879 1.00 0.00 C ATOM 901 O GLN A 82 4.302 11.664 8.617 1.00 0.00 O ATOM 902 CB GLN A 82 1.347 12.581 7.478 1.00 0.00 C ATOM 903 CG GLN A 82 1.451 13.188 8.870 1.00 0.00 C ATOM 904 CD GLN A 82 0.100 13.536 9.463 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.911 12.902 9.159 1.00 0.00 O ATOM 906 NE2 GLN A 82 0.076 14.544 10.315 1.00 0.00 N ATOM 0 H GLN A 82 1.511 11.312 5.368 1.00 0.00 H new ATOM 0 HA GLN A 82 3.315 13.015 6.720 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.893 13.310 6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.677 11.722 7.516 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.962 12.487 9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.065 14.088 8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.937 15.043 10.539 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.804 14.824 10.749 1.00 0.00 H new ATOM 915 N ARG A 83 3.053 9.942 7.876 1.00 0.00 N ATOM 916 CA ARG A 83 3.672 8.957 8.765 1.00 0.00 C ATOM 917 C ARG A 83 5.152 8.794 8.448 1.00 0.00 C ATOM 918 O ARG A 83 5.958 8.519 9.336 1.00 0.00 O ATOM 919 CB ARG A 83 2.974 7.595 8.648 1.00 0.00 C ATOM 920 CG ARG A 83 1.540 7.575 9.161 1.00 0.00 C ATOM 921 CD ARG A 83 1.469 7.806 10.663 1.00 0.00 C ATOM 922 NE ARG A 83 0.095 7.784 11.157 1.00 0.00 N ATOM 923 CZ ARG A 83 -0.258 8.231 12.358 1.00 0.00 C ATOM 924 NH1 ARG A 83 0.664 8.697 13.185 1.00 0.00 N ATOM 925 NH2 ARG A 83 -1.525 8.210 12.738 1.00 0.00 N ATOM 0 H ARG A 83 2.329 9.561 7.267 1.00 0.00 H new ATOM 0 HA ARG A 83 3.564 9.325 9.785 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.977 7.288 7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.554 6.855 9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.961 8.343 8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.082 6.616 8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.050 7.039 11.175 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.925 8.766 10.904 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.632 7.406 10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.643 8.713 12.900 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.395 9.041 14.107 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.241 7.849 12.107 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.786 8.555 13.662 1.00 0.00 H new ATOM 938 N LEU A 84 5.504 8.961 7.182 1.00 0.00 N ATOM 939 CA LEU A 84 6.890 8.851 6.760 1.00 0.00 C ATOM 940 C LEU A 84 7.574 10.217 6.769 1.00 0.00 C ATOM 941 O LEU A 84 8.762 10.337 6.459 1.00 0.00 O ATOM 942 CB LEU A 84 6.964 8.242 5.361 1.00 0.00 C ATOM 943 CG LEU A 84 6.332 6.857 5.221 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.291 6.439 3.762 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.098 5.828 6.040 1.00 0.00 C ATOM 0 H LEU A 84 4.848 9.173 6.430 1.00 0.00 H new ATOM 0 HA LEU A 84 7.410 8.202 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.475 8.919 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.011 8.178 5.065 1.00 0.00 H new ATOM 0 HG LEU A 84 5.312 6.909 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.838 5.451 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.700 7.158 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.305 6.408 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.630 4.850 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.130 5.780 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.084 6.116 7.091 1.00 0.00 H new ATOM 957 N ASN A 85 6.799 11.240 7.138 1.00 0.00 N ATOM 958 CA ASN A 85 7.259 12.630 7.160 1.00 0.00 C ATOM 959 C ASN A 85 7.749 13.053 5.771 1.00 0.00 C ATOM 960 O ASN A 85 8.799 13.670 5.622 1.00 0.00 O ATOM 961 CB ASN A 85 8.353 12.825 8.225 1.00 0.00 C ATOM 962 CG ASN A 85 8.561 14.285 8.606 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.421 14.972 8.055 1.00 0.00 O ATOM 964 ND2 ASN A 85 7.779 14.765 9.564 1.00 0.00 N ATOM 0 H ASN A 85 5.829 11.126 7.432 1.00 0.00 H new ATOM 0 HA ASN A 85 6.419 13.271 7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.089 12.257 9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.292 12.415 7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.880 15.734 9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.077 14.165 9.998 1.00 0.00 H new ATOM 971 N CYS A 86 6.973 12.705 4.753 1.00 0.00 N ATOM 972 CA CYS A 86 7.294 13.063 3.379 1.00 0.00 C ATOM 973 C CYS A 86 6.328 14.136 2.886 1.00 0.00 C ATOM 974 O CYS A 86 5.490 14.618 3.649 1.00 0.00 O ATOM 975 CB CYS A 86 7.216 11.833 2.464 1.00 0.00 C ATOM 976 SG CYS A 86 8.153 10.387 3.058 1.00 0.00 S ATOM 0 H CYS A 86 6.110 12.171 4.855 1.00 0.00 H new ATOM 0 HA CYS A 86 8.313 13.450 3.351 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.170 11.549 2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.584 12.107 1.476 1.00 0.00 H new ATOM 981 N GLY A 87 6.439 14.503 1.616 1.00 0.00 N ATOM 982 CA GLY A 87 5.544 15.490 1.051 1.00 0.00 C ATOM 983 C GLY A 87 4.220 14.890 0.616 1.00 0.00 C ATOM 984 O GLY A 87 3.905 13.750 0.958 1.00 0.00 O ATOM 0 H GLY A 87 7.134 14.133 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.360 16.273 1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.024 15.963 0.194 1.00 0.00 H new ATOM 988 N ASP A 88 3.459 15.659 -0.147 1.00 0.00 N ATOM 989 CA ASP A 88 2.133 15.245 -0.613 1.00 0.00 C ATOM 990 C ASP A 88 2.243 14.063 -1.578 1.00 0.00 C ATOM 991 O ASP A 88 3.201 13.968 -2.352 1.00 0.00 O ATOM 992 CB ASP A 88 1.439 16.434 -1.292 1.00 0.00 C ATOM 993 CG ASP A 88 0.032 16.132 -1.763 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.873 16.015 -0.913 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.179 16.040 -2.990 1.00 0.00 O ATOM 0 H ASP A 88 3.737 16.588 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 88 1.539 14.923 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.407 17.271 -0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.037 16.753 -2.145 1.00 0.00 H new ATOM 1000 N PRO A 89 1.283 13.124 -1.513 1.00 0.00 N ATOM 1001 CA PRO A 89 1.260 11.953 -2.390 1.00 0.00 C ATOM 1002 C PRO A 89 0.984 12.325 -3.846 1.00 0.00 C ATOM 1003 O PRO A 89 -0.084 12.837 -4.186 1.00 0.00 O ATOM 1004 CB PRO A 89 0.129 11.089 -1.826 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.737 12.019 -1.051 1.00 0.00 C ATOM 1006 CD PRO A 89 0.154 13.133 -0.570 1.00 0.00 C ATOM 0 HA PRO A 89 2.223 11.442 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.432 10.606 -2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.522 10.296 -1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.543 12.408 -1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.203 11.505 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.366 14.091 -0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.488 12.962 0.453 1.00 0.00 H new ATOM 1014 N LEU A 90 1.963 12.055 -4.696 1.00 0.00 N ATOM 1015 CA LEU A 90 1.885 12.385 -6.111 1.00 0.00 C ATOM 1016 C LEU A 90 1.036 11.353 -6.838 1.00 0.00 C ATOM 1017 O LEU A 90 0.111 11.693 -7.577 1.00 0.00 O ATOM 1018 CB LEU A 90 3.302 12.419 -6.709 1.00 0.00 C ATOM 1019 CG LEU A 90 3.489 13.252 -7.989 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.962 13.306 -8.367 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.683 12.686 -9.150 1.00 0.00 C ATOM 0 H LEU A 90 2.835 11.601 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 90 1.423 13.365 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.983 12.803 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.607 11.394 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 90 3.125 14.259 -7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.083 13.898 -9.274 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.529 13.764 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.330 12.295 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.841 13.301 -10.036 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.007 11.665 -9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.624 12.686 -8.892 1.00 0.00 H new ATOM 1033 N SER A 91 1.354 10.086 -6.613 1.00 0.00 N ATOM 1034 CA SER A 91 0.711 9.002 -7.330 1.00 0.00 C ATOM 1035 C SER A 91 0.519 7.784 -6.428 1.00 0.00 C ATOM 1036 O SER A 91 1.367 7.483 -5.584 1.00 0.00 O ATOM 1037 CB SER A 91 1.546 8.636 -8.563 1.00 0.00 C ATOM 1038 OG SER A 91 2.923 8.508 -8.235 1.00 0.00 O ATOM 0 H SER A 91 2.056 9.786 -5.937 1.00 0.00 H new ATOM 0 HA SER A 91 -0.277 9.332 -7.652 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.182 7.700 -8.986 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.422 9.401 -9.329 1.00 0.00 H new ATOM 0 HG SER A 91 3.430 8.273 -9.040 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.601 7.100 -6.607 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.910 5.901 -5.843 1.00 0.00 C ATOM 1046 C LEU A 92 -1.500 4.862 -6.786 1.00 0.00 C ATOM 1047 O LEU A 92 -2.416 5.166 -7.549 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.905 6.237 -4.720 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.053 5.196 -3.596 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.780 5.814 -2.419 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.813 3.960 -4.060 1.00 0.00 C ATOM 0 H LEU A 92 -1.319 7.359 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.003 5.504 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.604 7.183 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.885 6.395 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.050 4.886 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.883 5.074 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.212 6.667 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.769 6.146 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.894 3.252 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.811 4.249 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.278 3.494 -4.887 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.958 3.655 -6.758 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.490 2.596 -7.593 1.00 0.00 C ATOM 1065 C GLY A 93 -0.475 1.504 -7.838 1.00 0.00 C ATOM 1066 O GLY A 93 0.508 1.405 -7.105 1.00 0.00 O ATOM 0 H GLY A 93 -0.164 3.389 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.374 2.170 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.811 3.013 -8.547 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.688 0.658 -8.857 1.00 0.00 N ATOM 1071 CA PRO A 94 0.264 -0.392 -9.223 1.00 0.00 C ATOM 1072 C PRO A 94 1.573 0.212 -9.721 1.00 0.00 C ATOM 1073 O PRO A 94 1.690 0.592 -10.887 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.442 -1.160 -10.352 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.872 -0.746 -10.278 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.874 0.650 -9.728 1.00 0.00 C ATOM 0 HA PRO A 94 0.526 -1.031 -8.379 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.012 -0.915 -11.323 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.337 -2.237 -10.220 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.338 -0.777 -11.263 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.440 -1.419 -9.635 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.800 1.397 -10.519 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.786 0.864 -9.171 1.00 0.00 H new ATOM 1084 N PHE A 95 2.550 0.306 -8.833 1.00 0.00 N ATOM 1085 CA PHE A 95 3.781 1.020 -9.138 1.00 0.00 C ATOM 1086 C PHE A 95 4.832 0.084 -9.722 1.00 0.00 C ATOM 1087 O PHE A 95 5.676 0.499 -10.515 1.00 0.00 O ATOM 1088 CB PHE A 95 4.321 1.696 -7.875 1.00 0.00 C ATOM 1089 CG PHE A 95 5.488 2.607 -8.127 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.296 3.867 -8.673 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.777 2.205 -7.820 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.368 4.705 -8.908 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.852 3.038 -8.052 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.647 4.291 -8.596 1.00 0.00 C ATOM 0 H PHE A 95 2.516 -0.101 -7.898 1.00 0.00 H new ATOM 0 HA PHE A 95 3.555 1.781 -9.885 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.519 2.269 -7.409 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.619 0.927 -7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.297 4.197 -8.917 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.943 1.227 -7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.206 5.683 -9.336 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.852 2.711 -7.809 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.487 4.946 -8.777 1.00 0.00 H new ATOM 1104 N LEU A 96 4.772 -1.181 -9.338 1.00 0.00 N ATOM 1105 CA LEU A 96 5.768 -2.143 -9.773 1.00 0.00 C ATOM 1106 C LEU A 96 5.138 -3.517 -9.942 1.00 0.00 C ATOM 1107 O LEU A 96 4.090 -3.808 -9.366 1.00 0.00 O ATOM 1108 CB LEU A 96 6.927 -2.197 -8.769 1.00 0.00 C ATOM 1109 CG LEU A 96 8.154 -2.992 -9.228 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.714 -2.418 -10.525 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.225 -2.995 -8.143 1.00 0.00 C ATOM 0 H LEU A 96 4.048 -1.563 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 96 6.163 -1.827 -10.738 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.239 -1.177 -8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.560 -2.631 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 96 7.844 -4.021 -9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.585 -2.997 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.952 -2.466 -11.303 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.006 -1.380 -10.367 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.089 -3.564 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.528 -1.970 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.825 -3.453 -7.238 1.00 0.00 H new ATOM 1123 N LYS A 97 5.768 -4.349 -10.749 1.00 0.00 N ATOM 1124 CA LYS A 97 5.274 -5.692 -10.999 1.00 0.00 C ATOM 1125 C LYS A 97 6.381 -6.707 -10.766 1.00 0.00 C ATOM 1126 O LYS A 97 6.953 -7.250 -11.711 1.00 0.00 O ATOM 1127 CB LYS A 97 4.745 -5.808 -12.430 1.00 0.00 C ATOM 1128 CG LYS A 97 3.555 -4.905 -12.721 1.00 0.00 C ATOM 1129 CD LYS A 97 3.202 -4.907 -14.201 1.00 0.00 C ATOM 1130 CE LYS A 97 4.318 -4.309 -15.041 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.990 -4.323 -16.488 1.00 0.00 N ATOM 0 H LYS A 97 6.628 -4.118 -11.246 1.00 0.00 H new ATOM 0 HA LYS A 97 4.456 -5.897 -10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.550 -5.568 -13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.459 -6.843 -12.619 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.694 -5.237 -12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.782 -3.888 -12.401 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.006 -5.928 -14.528 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.284 -4.341 -14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.504 -3.284 -14.721 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.239 -4.868 -14.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.776 -3.907 -17.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.838 -5.303 -16.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.126 -3.769 -16.653 1.00 0.00 H new ATOM 1144 N THR A 98 6.683 -6.953 -9.500 1.00 0.00 N ATOM 1145 CA THR A 98 7.727 -7.895 -9.132 1.00 0.00 C ATOM 1146 C THR A 98 7.204 -9.326 -9.100 1.00 0.00 C ATOM 1147 O THR A 98 7.960 -10.286 -8.942 1.00 0.00 O ATOM 1148 CB THR A 98 8.330 -7.531 -7.769 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.338 -6.883 -6.958 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.539 -6.621 -7.929 1.00 0.00 C ATOM 0 H THR A 98 6.217 -6.511 -8.708 1.00 0.00 H new ATOM 0 HA THR A 98 8.504 -7.833 -9.894 1.00 0.00 H new ATOM 0 HB THR A 98 8.658 -8.450 -7.284 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.726 -6.653 -6.088 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.945 -6.380 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.300 -7.128 -8.522 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.239 -5.702 -8.433 1.00 0.00 H new ATOM 1158 N TYR A 99 5.880 -9.431 -9.242 1.00 0.00 N ATOM 1159 CA TYR A 99 5.179 -10.712 -9.375 1.00 0.00 C ATOM 1160 C TYR A 99 5.497 -11.649 -8.207 1.00 0.00 C ATOM 1161 O TYR A 99 5.758 -12.832 -8.402 1.00 0.00 O ATOM 1162 CB TYR A 99 5.553 -11.365 -10.713 1.00 0.00 C ATOM 1163 CG TYR A 99 4.573 -12.420 -11.195 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.381 -12.054 -11.806 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.844 -13.776 -11.051 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.490 -13.007 -12.260 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.956 -14.735 -11.500 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.780 -14.345 -12.101 1.00 0.00 C ATOM 1169 OH TYR A 99 1.893 -15.299 -12.553 1.00 0.00 O ATOM 0 H TYR A 99 5.259 -8.623 -9.268 1.00 0.00 H new ATOM 0 HA TYR A 99 4.106 -10.523 -9.354 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.633 -10.587 -11.473 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.539 -11.820 -10.618 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.147 -11.007 -11.928 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.765 -14.086 -10.580 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.570 -12.705 -12.738 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.183 -15.784 -11.380 1.00 0.00 H new ATOM 0 HH TYR A 99 2.249 -16.192 -12.364 1.00 0.00 H new ATOM 1179 N THR A 100 5.466 -11.122 -6.994 1.00 0.00 N ATOM 1180 CA THR A 100 5.766 -11.922 -5.816 1.00 0.00 C ATOM 1181 C THR A 100 4.533 -12.079 -4.925 1.00 0.00 C ATOM 1182 O THR A 100 4.323 -11.295 -3.995 1.00 0.00 O ATOM 1183 CB THR A 100 6.905 -11.289 -4.997 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.983 -10.915 -5.868 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.417 -12.258 -3.941 1.00 0.00 C ATOM 0 H THR A 100 5.237 -10.147 -6.799 1.00 0.00 H new ATOM 0 HA THR A 100 6.078 -12.906 -6.166 1.00 0.00 H new ATOM 0 HB THR A 100 6.514 -10.403 -4.496 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.704 -10.511 -5.341 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.221 -11.788 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.604 -12.522 -3.265 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.793 -13.159 -4.426 1.00 0.00 H new ATOM 1193 N PRO A 101 3.700 -13.098 -5.192 1.00 0.00 N ATOM 1194 CA PRO A 101 2.501 -13.377 -4.406 1.00 0.00 C ATOM 1195 C PRO A 101 2.832 -14.169 -3.142 1.00 0.00 C ATOM 1196 O PRO A 101 2.225 -15.202 -2.854 1.00 0.00 O ATOM 1197 CB PRO A 101 1.624 -14.209 -5.361 1.00 0.00 C ATOM 1198 CG PRO A 101 2.416 -14.372 -6.623 1.00 0.00 C ATOM 1199 CD PRO A 101 3.847 -14.067 -6.277 1.00 0.00 C ATOM 0 HA PRO A 101 2.010 -12.468 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.385 -15.178 -4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.677 -13.706 -5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.319 -15.386 -7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.053 -13.697 -7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.388 -14.958 -5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.391 -13.650 -7.124 1.00 0.00 H new ATOM 1207 N GLN A 102 3.814 -13.673 -2.400 1.00 0.00 N ATOM 1208 CA GLN A 102 4.275 -14.329 -1.183 1.00 0.00 C ATOM 1209 C GLN A 102 4.301 -13.336 -0.034 1.00 0.00 C ATOM 1210 O GLN A 102 3.634 -13.526 0.977 1.00 0.00 O ATOM 1211 CB GLN A 102 5.672 -14.922 -1.385 1.00 0.00 C ATOM 1212 CG GLN A 102 5.741 -16.039 -2.418 1.00 0.00 C ATOM 1213 CD GLN A 102 5.222 -17.375 -1.910 1.00 0.00 C ATOM 1214 OE1 GLN A 102 4.229 -17.356 -1.036 1.00 0.00 O flip ATOM 1215 NE2 GLN A 102 5.710 -18.427 -2.320 1.00 0.00 N flip ATOM 0 H GLN A 102 4.311 -12.810 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 102 3.583 -15.137 -0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.351 -14.124 -1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.032 -15.305 -0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.165 -15.746 -3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.775 -16.160 -2.741 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.475 -18.406 -2.994 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.349 -19.321 -1.986 1.00 0.00 H new ATOM 1224 N SER A 103 5.065 -12.267 -0.206 1.00 0.00 N ATOM 1225 CA SER A 103 5.160 -11.223 0.803 1.00 0.00 C ATOM 1226 C SER A 103 4.058 -10.188 0.611 1.00 0.00 C ATOM 1227 O SER A 103 4.092 -9.115 1.209 1.00 0.00 O ATOM 1228 CB SER A 103 6.525 -10.541 0.720 1.00 0.00 C ATOM 1229 OG SER A 103 7.581 -11.488 0.797 1.00 0.00 O ATOM 0 H SER A 103 5.630 -12.100 -1.039 1.00 0.00 H new ATOM 0 HA SER A 103 5.042 -11.681 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.600 -9.985 -0.215 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.622 -9.818 1.530 1.00 0.00 H new ATOM 0 HG SER A 103 8.442 -11.023 0.740 1.00 0.00 H new ATOM 1235 N SER A 104 3.079 -10.514 -0.216 1.00 0.00 N ATOM 1236 CA SER A 104 2.016 -9.580 -0.541 1.00 0.00 C ATOM 1237 C SER A 104 0.671 -10.043 0.025 1.00 0.00 C ATOM 1238 O SER A 104 0.415 -11.244 0.164 1.00 0.00 O ATOM 1239 CB SER A 104 1.939 -9.417 -2.060 1.00 0.00 C ATOM 1240 OG SER A 104 1.975 -10.679 -2.704 1.00 0.00 O ATOM 0 H SER A 104 2.999 -11.421 -0.675 1.00 0.00 H new ATOM 0 HA SER A 104 2.242 -8.617 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.022 -8.893 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.770 -8.803 -2.407 1.00 0.00 H new ATOM 0 HG SER A 104 2.801 -10.757 -3.225 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.174 -9.081 0.369 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.515 -9.363 0.855 1.00 0.00 C ATOM 1248 C ILE A 105 -2.554 -8.709 -0.040 1.00 0.00 C ATOM 1249 O ILE A 105 -2.284 -7.703 -0.701 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.750 -8.859 2.301 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.410 -7.369 2.406 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.964 -9.685 3.308 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.741 -6.742 3.742 1.00 0.00 C ATOM 0 H ILE A 105 0.051 -8.087 0.319 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.614 -10.448 0.844 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.806 -8.983 2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.346 -7.238 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.946 -6.831 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.150 -9.307 4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.279 -10.727 3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.101 -9.614 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.467 -5.687 3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.810 -6.837 3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.185 -7.250 4.530 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.737 -9.282 -0.055 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.865 -8.676 -0.725 1.00 0.00 C ATOM 1267 C ILE A 106 -5.903 -8.324 0.331 1.00 0.00 C ATOM 1268 O ILE A 106 -6.205 -9.136 1.208 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.469 -9.602 -1.813 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -6.523 -8.847 -2.625 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.065 -10.864 -1.199 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -7.137 -9.672 -3.738 1.00 0.00 C ATOM 0 H ILE A 106 -3.943 -10.175 0.393 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.532 -7.778 -1.246 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.664 -9.908 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.314 -8.511 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.068 -7.954 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.480 -11.491 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.287 -11.414 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.855 -10.590 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.875 -9.072 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.357 -9.986 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.622 -10.551 -3.314 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.410 -7.110 0.296 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.298 -6.659 1.352 1.00 0.00 C ATOM 1286 C CYS A 107 -8.672 -6.305 0.799 1.00 0.00 C ATOM 1287 O CYS A 107 -8.822 -6.008 -0.388 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.685 -5.468 2.094 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.277 -5.295 3.808 1.00 0.00 S ATOM 0 H CYS A 107 -6.228 -6.426 -0.438 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.426 -7.477 2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.600 -5.575 2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.911 -4.553 1.546 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.672 -6.356 1.663 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.045 -6.094 1.273 1.00 0.00 C ATOM 1296 C TYR A 108 -11.660 -5.065 2.212 1.00 0.00 C ATOM 1297 O TYR A 108 -11.161 -4.856 3.318 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.861 -7.389 1.315 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.240 -8.534 0.540 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.191 -8.511 -0.847 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.709 -9.637 1.196 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.628 -9.554 -1.558 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.146 -10.683 0.492 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.110 -10.638 -0.884 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.552 -11.679 -1.589 1.00 0.00 O ATOM 0 H TYR A 108 -9.554 -6.580 2.651 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.055 -5.703 0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.987 -7.693 2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.857 -7.192 0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.599 -7.665 -1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.737 -9.677 2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.594 -9.519 -2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.736 -11.532 1.018 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.233 -12.363 -0.964 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.738 -4.430 1.773 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.398 -3.441 2.600 1.00 0.00 C ATOM 1317 C GLY A 109 -13.265 -2.036 2.047 1.00 0.00 C ATOM 1318 O GLY A 109 -13.055 -1.851 0.847 1.00 0.00 O ATOM 0 H GLY A 109 -13.167 -4.582 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.455 -3.694 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.977 -3.473 3.605 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.391 -1.050 2.929 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.306 0.352 2.544 1.00 0.00 C ATOM 1324 C GLN A 110 -11.884 0.702 2.114 1.00 0.00 C ATOM 1325 O GLN A 110 -10.918 0.298 2.762 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.717 1.244 3.717 1.00 0.00 C ATOM 1327 CG GLN A 110 -13.955 2.693 3.321 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.238 2.868 2.530 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.213 2.143 2.738 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.243 3.812 1.605 1.00 0.00 N ATOM 0 H GLN A 110 -13.554 -1.200 3.925 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.982 0.520 1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.626 0.844 4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -12.941 1.207 4.481 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.996 3.311 4.218 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.113 3.049 2.727 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.416 4.392 1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.074 3.961 1.033 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.770 1.458 1.025 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.475 1.868 0.491 1.00 0.00 C ATOM 1341 C LEU A 111 -9.661 2.614 1.542 1.00 0.00 C ATOM 1342 O LEU A 111 -10.039 3.703 1.981 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.669 2.750 -0.751 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.380 3.262 -1.413 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.538 2.111 -1.949 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.706 4.234 -2.535 1.00 0.00 C ATOM 0 H LEU A 111 -12.568 1.802 0.491 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.925 0.970 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.235 2.184 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.278 3.610 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.801 3.782 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.633 2.506 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.266 1.447 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.111 1.555 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.781 4.586 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.314 3.731 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.257 5.083 -2.132 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.551 2.009 1.949 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.687 2.622 2.933 1.00 0.00 C ATOM 1360 C GLY A 112 -7.725 1.908 4.267 1.00 0.00 C ATOM 1361 O GLY A 112 -6.930 2.204 5.161 1.00 0.00 O ATOM 0 H GLY A 112 -8.235 1.100 1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.664 2.629 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.983 3.662 3.073 1.00 0.00 H new ATOM 1365 N SER A 113 -8.643 0.964 4.405 1.00 0.00 N ATOM 1366 CA SER A 113 -8.783 0.223 5.641 1.00 0.00 C ATOM 1367 C SER A 113 -8.164 -1.165 5.505 1.00 0.00 C ATOM 1368 O SER A 113 -8.632 -1.993 4.726 1.00 0.00 O ATOM 1369 CB SER A 113 -10.260 0.116 6.023 1.00 0.00 C ATOM 1370 OG SER A 113 -10.416 -0.219 7.392 1.00 0.00 O ATOM 0 H SER A 113 -9.301 0.695 3.673 1.00 0.00 H new ATOM 0 HA SER A 113 -8.255 0.756 6.431 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.760 1.063 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.744 -0.640 5.404 1.00 0.00 H new ATOM 0 HG SER A 113 -10.244 0.572 7.944 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.116 -1.411 6.273 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.419 -2.692 6.260 1.00 0.00 C ATOM 1378 C PHE A 114 -6.991 -3.591 7.347 1.00 0.00 C ATOM 1379 O PHE A 114 -6.264 -4.275 8.068 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.914 -2.485 6.477 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.246 -1.702 5.379 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.190 -0.315 5.425 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.674 -2.354 4.298 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.578 0.400 4.413 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.063 -1.642 3.286 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.015 -0.263 3.343 1.00 0.00 C ATOM 0 H PHE A 114 -6.722 -0.731 6.923 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.562 -3.167 5.289 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.760 -1.969 7.425 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.431 -3.458 6.562 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.629 0.210 6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.707 -3.432 4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.541 1.478 4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.622 -2.163 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.537 0.295 2.551 1.00 0.00 H new ATOM 1396 N SER A 115 -8.306 -3.563 7.466 1.00 0.00 N ATOM 1397 CA SER A 115 -8.999 -4.299 8.505 1.00 0.00 C ATOM 1398 C SER A 115 -9.188 -5.764 8.122 1.00 0.00 C ATOM 1399 O SER A 115 -8.962 -6.658 8.937 1.00 0.00 O ATOM 1400 CB SER A 115 -10.347 -3.639 8.779 1.00 0.00 C ATOM 1401 OG SER A 115 -10.170 -2.264 9.070 1.00 0.00 O ATOM 0 H SER A 115 -8.920 -3.032 6.848 1.00 0.00 H new ATOM 0 HA SER A 115 -8.391 -4.276 9.410 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.999 -3.754 7.913 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.839 -4.135 9.616 1.00 0.00 H new ATOM 0 HG SER A 115 -10.323 -1.736 8.259 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.578 -6.006 6.882 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.866 -7.358 6.427 1.00 0.00 C ATOM 1409 C ASN A 116 -8.937 -7.735 5.281 1.00 0.00 C ATOM 1410 O ASN A 116 -9.330 -7.732 4.113 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.335 -7.462 5.995 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.765 -8.881 5.658 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.739 -9.221 4.380 1.00 0.00 O flip ATOM 1414 ND2 ASN A 116 -12.140 -9.656 6.539 1.00 0.00 N flip ATOM 0 H ASN A 116 -9.703 -5.285 6.172 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.696 -8.056 7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.969 -7.078 6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.497 -6.825 5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.145 -9.356 7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.445 -10.598 6.294 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.691 -8.027 5.621 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.695 -8.383 4.623 1.00 0.00 C ATOM 1423 C CYS A 117 -6.363 -9.875 4.721 1.00 0.00 C ATOM 1424 O CYS A 117 -6.603 -10.504 5.754 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.417 -7.556 4.816 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.655 -5.745 4.950 1.00 0.00 S ATOM 0 H CYS A 117 -7.346 -8.024 6.581 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.106 -8.169 3.636 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.913 -7.905 5.717 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.748 -7.755 3.979 1.00 0.00 H new ATOM 1431 N SER A 118 -5.827 -10.439 3.645 1.00 0.00 N ATOM 1432 CA SER A 118 -5.451 -11.849 3.617 1.00 0.00 C ATOM 1433 C SER A 118 -4.233 -12.058 2.723 1.00 0.00 C ATOM 1434 O SER A 118 -3.842 -11.154 1.986 1.00 0.00 O ATOM 1435 CB SER A 118 -6.624 -12.692 3.112 1.00 0.00 C ATOM 1436 OG SER A 118 -7.743 -12.580 3.975 1.00 0.00 O ATOM 0 H SER A 118 -5.642 -9.939 2.776 1.00 0.00 H new ATOM 0 HA SER A 118 -5.196 -12.163 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.901 -12.370 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.320 -13.736 3.039 1.00 0.00 H new ATOM 0 HG SER A 118 -8.479 -13.127 3.629 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.637 -13.245 2.795 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.495 -13.588 1.952 1.00 0.00 C ATOM 1444 C HIS A 119 -2.923 -13.554 0.490 1.00 0.00 C ATOM 1445 O HIS A 119 -3.958 -14.115 0.136 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.963 -14.981 2.321 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.646 -15.331 1.688 1.00 0.00 C ATOM 1448 ND1 HIS A 119 0.524 -15.440 2.406 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.324 -15.623 0.405 1.00 0.00 C ATOM 1450 CE1 HIS A 119 1.509 -15.779 1.598 1.00 0.00 C ATOM 1451 NE2 HIS A 119 1.023 -15.898 0.375 1.00 0.00 N ATOM 0 H HIS A 119 -3.927 -13.988 3.431 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.696 -12.864 2.110 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.859 -15.041 3.404 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.702 -15.727 2.030 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.000 -15.637 -0.438 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.538 -15.933 1.887 1.00 0.00 H new ATOM 0 HE2 HIS A 119 1.559 -16.152 -0.455 1.00 0.00 H new ATOM 1459 N SER A 120 -2.130 -12.898 -0.349 1.00 0.00 N ATOM 1460 CA SER A 120 -2.493 -12.708 -1.746 1.00 0.00 C ATOM 1461 C SER A 120 -2.333 -14.005 -2.531 1.00 0.00 C ATOM 1462 O SER A 120 -1.224 -14.395 -2.901 1.00 0.00 O ATOM 1463 CB SER A 120 -1.651 -11.595 -2.380 1.00 0.00 C ATOM 1464 OG SER A 120 -2.067 -11.333 -3.710 1.00 0.00 O ATOM 0 H SER A 120 -1.233 -12.490 -0.086 1.00 0.00 H new ATOM 0 HA SER A 120 -3.541 -12.412 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.736 -10.686 -1.784 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.600 -11.883 -2.375 1.00 0.00 H new ATOM 0 HG SER A 120 -1.530 -10.603 -4.083 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.448 -14.680 -2.766 1.00 0.00 N ATOM 1471 CA ARG A 121 -3.466 -15.872 -3.592 1.00 0.00 C ATOM 1472 C ARG A 121 -4.055 -15.519 -4.957 1.00 0.00 C ATOM 1473 O ARG A 121 -4.919 -16.213 -5.492 1.00 0.00 O ATOM 1474 CB ARG A 121 -4.268 -16.982 -2.897 1.00 0.00 C ATOM 1475 CG ARG A 121 -4.256 -18.336 -3.604 1.00 0.00 C ATOM 1476 CD ARG A 121 -2.854 -18.921 -3.757 1.00 0.00 C ATOM 1477 NE ARG A 121 -2.087 -18.297 -4.840 1.00 0.00 N ATOM 1478 CZ ARG A 121 -2.298 -18.536 -6.136 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -3.287 -19.337 -6.514 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -1.529 -17.974 -7.056 1.00 0.00 N ATOM 0 H ARG A 121 -4.359 -14.417 -2.391 1.00 0.00 H new ATOM 0 HA ARG A 121 -2.452 -16.246 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.876 -17.114 -1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.302 -16.652 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.876 -19.036 -3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.707 -18.228 -4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.312 -18.800 -2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.932 -19.992 -3.945 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.348 -17.641 -4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.888 -19.771 -5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.446 -19.518 -7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.769 -17.354 -6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.696 -18.161 -8.045 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.588 -14.408 -5.501 1.00 0.00 N ATOM 1494 CA ASN A 122 -4.025 -13.955 -6.810 1.00 0.00 C ATOM 1495 C ASN A 122 -2.834 -13.950 -7.756 1.00 0.00 C ATOM 1496 O ASN A 122 -1.804 -13.341 -7.468 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.643 -12.557 -6.725 1.00 0.00 C ATOM 1498 CG ASN A 122 -5.359 -12.149 -8.002 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -5.005 -12.578 -9.099 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -6.373 -11.312 -7.866 1.00 0.00 N ATOM 0 H ASN A 122 -2.902 -13.800 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.790 -14.635 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.347 -12.526 -5.894 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.860 -11.831 -6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -6.891 -11.001 -8.688 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -6.637 -10.978 -6.939 1.00 0.00 H new ATOM 1507 N ASP A 123 -2.981 -14.640 -8.877 1.00 0.00 N ATOM 1508 CA ASP A 123 -1.887 -14.825 -9.824 1.00 0.00 C ATOM 1509 C ASP A 123 -1.519 -13.526 -10.527 1.00 0.00 C ATOM 1510 O ASP A 123 -0.376 -13.339 -10.937 1.00 0.00 O ATOM 1511 CB ASP A 123 -2.248 -15.888 -10.860 1.00 0.00 C ATOM 1512 CG ASP A 123 -2.574 -17.226 -10.231 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -1.641 -17.932 -9.796 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -3.770 -17.583 -10.175 1.00 0.00 O ATOM 0 H ASP A 123 -3.855 -15.086 -9.156 1.00 0.00 H new ATOM 0 HA ASP A 123 -1.020 -15.156 -9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.103 -15.546 -11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -1.417 -16.010 -11.555 1.00 0.00 H new ATOM 1519 N MET A 124 -2.479 -12.623 -10.668 1.00 0.00 N ATOM 1520 CA MET A 124 -2.215 -11.341 -11.313 1.00 0.00 C ATOM 1521 C MET A 124 -2.001 -10.255 -10.262 1.00 0.00 C ATOM 1522 O MET A 124 -2.489 -9.132 -10.385 1.00 0.00 O ATOM 1523 CB MET A 124 -3.343 -10.951 -12.283 1.00 0.00 C ATOM 1524 CG MET A 124 -4.715 -10.814 -11.639 1.00 0.00 C ATOM 1525 SD MET A 124 -5.961 -10.182 -12.782 1.00 0.00 S ATOM 1526 CE MET A 124 -5.876 -11.403 -14.092 1.00 0.00 C ATOM 0 H MET A 124 -3.439 -12.750 -10.349 1.00 0.00 H new ATOM 0 HA MET A 124 -1.303 -11.443 -11.902 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.084 -10.005 -12.759 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.400 -11.700 -13.073 1.00 0.00 H new ATOM 0 HG2 MET A 124 -5.033 -11.786 -11.262 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.644 -10.147 -10.780 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.769 -11.333 -14.713 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.993 -11.219 -14.704 1.00 0.00 H new ATOM 0 HE3 MET A 124 -5.814 -12.400 -13.656 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.251 -10.603 -9.230 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.981 -9.683 -8.138 1.00 0.00 C ATOM 1538 C CYS A 125 0.088 -8.670 -8.536 1.00 0.00 C ATOM 1539 O CYS A 125 1.272 -8.996 -8.637 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.544 -10.443 -6.884 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.345 -9.382 -5.419 1.00 0.00 S ATOM 0 H CYS A 125 -0.817 -11.520 -9.125 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.903 -9.146 -7.916 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.279 -11.217 -6.664 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.400 -10.949 -7.087 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.346 -7.446 -8.792 1.00 0.00 N ATOM 1547 CA HIS A 126 0.569 -6.360 -9.104 1.00 0.00 C ATOM 1548 C HIS A 126 0.878 -5.590 -7.825 1.00 0.00 C ATOM 1549 O HIS A 126 -0.013 -5.362 -7.005 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.030 -5.428 -10.171 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.170 -6.059 -11.529 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.221 -5.329 -12.700 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -0.276 -7.358 -11.901 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.354 -6.149 -13.726 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.388 -7.387 -13.269 1.00 0.00 N ATOM 0 H HIS A 126 -1.331 -7.179 -8.790 1.00 0.00 H new ATOM 0 HA HIS A 126 1.492 -6.772 -9.511 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.011 -5.092 -9.835 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.598 -4.541 -10.257 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -0.273 -8.214 -11.242 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.423 -5.857 -14.763 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.482 -8.228 -13.839 1.00 0.00 H new ATOM 1563 N SER A 127 2.131 -5.203 -7.650 1.00 0.00 N ATOM 1564 CA SER A 127 2.576 -4.592 -6.407 1.00 0.00 C ATOM 1565 C SER A 127 2.108 -3.139 -6.307 1.00 0.00 C ATOM 1566 O SER A 127 2.418 -2.313 -7.173 1.00 0.00 O ATOM 1567 CB SER A 127 4.102 -4.660 -6.325 1.00 0.00 C ATOM 1568 OG SER A 127 4.578 -5.924 -6.768 1.00 0.00 O ATOM 0 H SER A 127 2.861 -5.301 -8.356 1.00 0.00 H new ATOM 0 HA SER A 127 2.139 -5.142 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.539 -3.869 -6.934 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.423 -4.486 -5.298 1.00 0.00 H new ATOM 0 HG SER A 127 5.557 -5.941 -6.717 1.00 0.00 H new ATOM 1574 N LEU A 128 1.362 -2.834 -5.251 1.00 0.00 N ATOM 1575 CA LEU A 128 0.848 -1.487 -5.042 1.00 0.00 C ATOM 1576 C LEU A 128 1.947 -0.595 -4.481 1.00 0.00 C ATOM 1577 O LEU A 128 2.704 -1.008 -3.599 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.340 -1.507 -4.076 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.146 -0.209 -3.989 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.070 -0.076 -5.187 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.941 -0.155 -2.697 1.00 0.00 C ATOM 0 H LEU A 128 1.100 -3.502 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 128 0.513 -1.093 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.013 -2.312 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.029 -1.751 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.447 0.628 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.636 0.853 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.479 -0.065 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.759 -0.920 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.506 0.776 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.629 -0.999 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.259 -0.203 -1.848 1.00 0.00 H new ATOM 1593 N GLY A 129 2.037 0.618 -4.992 1.00 0.00 N ATOM 1594 CA GLY A 129 3.059 1.528 -4.533 1.00 0.00 C ATOM 1595 C GLY A 129 2.543 2.934 -4.337 1.00 0.00 C ATOM 1596 O GLY A 129 1.486 3.298 -4.854 1.00 0.00 O ATOM 0 H GLY A 129 1.422 0.989 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.470 1.162 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.877 1.543 -5.254 1.00 0.00 H new ATOM 1600 N LEU A 130 3.302 3.721 -3.594 1.00 0.00 N ATOM 1601 CA LEU A 130 2.941 5.094 -3.300 1.00 0.00 C ATOM 1602 C LEU A 130 4.136 6.005 -3.561 1.00 0.00 C ATOM 1603 O LEU A 130 5.277 5.640 -3.271 1.00 0.00 O ATOM 1604 CB LEU A 130 2.504 5.217 -1.838 1.00 0.00 C ATOM 1605 CG LEU A 130 2.092 6.622 -1.389 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.842 7.085 -2.122 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.869 6.649 0.114 1.00 0.00 C ATOM 0 H LEU A 130 4.185 3.425 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 130 2.113 5.392 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.666 4.540 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.322 4.877 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 130 2.900 7.310 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.572 8.085 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.035 7.104 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.022 6.398 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.577 7.653 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.080 5.945 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.791 6.368 0.624 1.00 0.00 H new ATOM 1619 N THR A 131 3.882 7.167 -4.136 1.00 0.00 N ATOM 1620 CA THR A 131 4.927 8.152 -4.354 1.00 0.00 C ATOM 1621 C THR A 131 4.603 9.451 -3.626 1.00 0.00 C ATOM 1622 O THR A 131 3.730 10.206 -4.050 1.00 0.00 O ATOM 1623 CB THR A 131 5.113 8.439 -5.856 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.463 7.227 -6.538 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.189 9.494 -6.089 1.00 0.00 C ATOM 0 H THR A 131 2.958 7.452 -4.461 1.00 0.00 H new ATOM 0 HA THR A 131 5.855 7.740 -3.957 1.00 0.00 H new ATOM 0 HB THR A 131 4.172 8.824 -6.249 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.423 7.373 -7.506 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.296 9.674 -7.159 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.903 10.421 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.138 9.142 -5.683 1.00 0.00 H new ATOM 1633 N CYS A 132 5.290 9.690 -2.521 1.00 0.00 N ATOM 1634 CA CYS A 132 5.163 10.947 -1.797 1.00 0.00 C ATOM 1635 C CYS A 132 6.266 11.893 -2.260 1.00 0.00 C ATOM 1636 O CYS A 132 7.409 11.472 -2.434 1.00 0.00 O ATOM 1637 CB CYS A 132 5.267 10.716 -0.282 1.00 0.00 C ATOM 1638 SG CYS A 132 4.114 9.467 0.380 1.00 0.00 S ATOM 0 H CYS A 132 5.944 9.028 -2.103 1.00 0.00 H new ATOM 0 HA CYS A 132 4.186 11.385 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.286 10.412 -0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.089 11.662 0.229 1.00 0.00 H new ATOM 1643 N LEU A 133 5.922 13.157 -2.477 1.00 0.00 N ATOM 1644 CA LEU A 133 6.875 14.134 -2.993 1.00 0.00 C ATOM 1645 C LEU A 133 8.061 14.310 -2.053 1.00 0.00 C ATOM 1646 O LEU A 133 7.892 14.663 -0.885 1.00 0.00 O ATOM 1647 CB LEU A 133 6.191 15.485 -3.213 1.00 0.00 C ATOM 1648 CG LEU A 133 5.187 15.528 -4.367 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.453 16.859 -4.381 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.893 15.303 -5.695 1.00 0.00 C ATOM 0 H LEU A 133 4.989 13.530 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 133 7.246 13.755 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.676 15.767 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.959 16.238 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 133 4.460 14.730 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.743 16.874 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.918 16.989 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.171 17.669 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.164 15.337 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.640 16.082 -5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.381 14.329 -5.687 1.00 0.00 H new ATOM 1662 N GLU A 134 9.253 14.048 -2.563 1.00 0.00 N ATOM 1663 CA GLU A 134 10.476 14.315 -1.825 1.00 0.00 C ATOM 1664 C GLU A 134 11.489 15.020 -2.727 1.00 0.00 C ATOM 1665 O GLU A 134 12.386 14.357 -3.286 1.00 0.00 O ATOM 1666 CB GLU A 134 11.060 13.025 -1.222 1.00 0.00 C ATOM 1667 CG GLU A 134 11.231 11.877 -2.204 1.00 0.00 C ATOM 1668 CD GLU A 134 12.093 10.767 -1.636 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.323 10.966 -1.527 1.00 0.00 O ATOM 1670 OE2 GLU A 134 11.556 9.699 -1.289 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.361 16.252 -2.897 1.00 0.00 O ATOM 0 H GLU A 134 9.400 13.649 -3.490 1.00 0.00 H new ATOM 0 HA GLU A 134 10.239 14.977 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 134 12.030 13.254 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.412 12.695 -0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.252 11.477 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.681 12.251 -3.124 1.00 0.00 H new TER 1678 GLU A 134