USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 927 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 52 ASN : amide:sc= -3.75! C(o=-17!,f=-17!) USER MOD Set 1.2: A 54 ASN :FLIP amide:sc= -13.5! C(o=-17!,f=-17!) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0786 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 4:sc= 0.565 USER MOD Single : A 20 SER OG : rot -48:sc= 0.612 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 104:sc= -0.189 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00246 USER MOD Single : A 35 HIS : no HD1:sc= -0.0831 X(o=-0.083,f=-0.48) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -170:sc= -1.17 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.696 K(o=-0.7,f=-2.4!) USER MOD Single : A 60 TYR OH : rot 90:sc= -0.831 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.445 USER MOD Single : A 68 SER OG : rot 22:sc= 0.77 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.541! K(o=-0.54!,f=-1.2) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.85) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.647 USER MOD Single : A 79 LYS NZ :NH3+ 135:sc= 0.375 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.47) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -5.24! C(o=-5.2!,f=-4.9!) USER MOD Single : A 91 SER OG : rot 33:sc= 0.244 USER MOD Single : A 92 SER OG : rot 25:sc= 0.0212 USER MOD Single : A 93 HIS : no HE2:sc= -1.45 X(o=-1.5,f=-1.5) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -43:sc= 0.289 USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= 0.0839 (180deg=0.0383) USER MOD Single : A 102 ASN : amide:sc= -2.9! C(o=-2.9!,f=-20!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -75:sc= -0.398 USER MOD Single : A 119 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-2.9!) USER MOD Single : A 120 THR OG1 : rot 36:sc= 0.94 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.593 -9.808 35.480 1.00 0.00 N ATOM 2 CA GLY A 1 -12.726 -8.373 35.643 1.00 0.00 C ATOM 3 C GLY A 1 -14.147 -7.893 35.425 1.00 0.00 C ATOM 4 O GLY A 1 -15.069 -8.698 35.301 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.075 -10.203 36.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.537 -10.240 35.428 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.071 -10.011 34.604 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.401 -8.093 36.645 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.063 -7.868 34.940 1.00 0.00 H new ATOM 8 N SER A 2 -14.324 -6.576 35.379 1.00 0.00 N ATOM 9 CA SER A 2 -15.644 -5.990 35.179 1.00 0.00 C ATOM 10 C SER A 2 -15.797 -5.467 33.754 1.00 0.00 C ATOM 11 O SER A 2 -16.651 -5.931 32.999 1.00 0.00 O ATOM 12 CB SER A 2 -15.878 -4.855 36.178 1.00 0.00 C ATOM 13 OG SER A 2 -15.807 -5.327 37.512 1.00 0.00 O ATOM 0 H SER A 2 -13.571 -5.896 35.477 1.00 0.00 H new ATOM 0 HA SER A 2 -16.388 -6.769 35.343 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.134 -4.073 36.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.855 -4.405 36.000 1.00 0.00 H new ATOM 0 HG SER A 2 -15.958 -4.582 38.131 1.00 0.00 H new ATOM 19 N SER A 3 -14.962 -4.497 33.394 1.00 0.00 N ATOM 20 CA SER A 3 -15.006 -3.907 32.061 1.00 0.00 C ATOM 21 C SER A 3 -13.943 -4.526 31.158 1.00 0.00 C ATOM 22 O SER A 3 -13.148 -5.357 31.595 1.00 0.00 O ATOM 23 CB SER A 3 -14.802 -2.393 32.143 1.00 0.00 C ATOM 24 OG SER A 3 -15.706 -1.806 33.063 1.00 0.00 O ATOM 0 H SER A 3 -14.247 -4.103 34.006 1.00 0.00 H new ATOM 0 HA SER A 3 -15.987 -4.112 31.632 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.778 -2.177 32.447 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.943 -1.950 31.157 1.00 0.00 H new ATOM 0 HG SER A 3 -15.554 -0.838 33.099 1.00 0.00 H new ATOM 30 N GLY A 4 -13.937 -4.115 29.893 1.00 0.00 N ATOM 31 CA GLY A 4 -12.969 -4.639 28.948 1.00 0.00 C ATOM 32 C GLY A 4 -13.468 -4.585 27.517 1.00 0.00 C ATOM 33 O GLY A 4 -14.382 -5.319 27.143 1.00 0.00 O ATOM 0 H GLY A 4 -14.585 -3.429 29.507 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.043 -4.070 29.028 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.733 -5.671 29.209 1.00 0.00 H new ATOM 37 N SER A 5 -12.867 -3.711 26.715 1.00 0.00 N ATOM 38 CA SER A 5 -13.259 -3.560 25.319 1.00 0.00 C ATOM 39 C SER A 5 -12.125 -3.975 24.388 1.00 0.00 C ATOM 40 O SER A 5 -12.258 -4.923 23.614 1.00 0.00 O ATOM 41 CB SER A 5 -13.663 -2.112 25.035 1.00 0.00 C ATOM 42 OG SER A 5 -13.850 -1.898 23.647 1.00 0.00 O ATOM 0 H SER A 5 -12.107 -3.097 27.008 1.00 0.00 H new ATOM 0 HA SER A 5 -14.113 -4.211 25.135 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.583 -1.876 25.570 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.894 -1.436 25.410 1.00 0.00 H new ATOM 0 HG SER A 5 -14.109 -0.966 23.492 1.00 0.00 H new ATOM 48 N SER A 6 -11.008 -3.258 24.469 1.00 0.00 N ATOM 49 CA SER A 6 -9.851 -3.549 23.631 1.00 0.00 C ATOM 50 C SER A 6 -10.275 -3.812 22.190 1.00 0.00 C ATOM 51 O SER A 6 -9.778 -4.731 21.542 1.00 0.00 O ATOM 52 CB SER A 6 -9.089 -4.757 24.179 1.00 0.00 C ATOM 53 OG SER A 6 -8.781 -4.587 25.552 1.00 0.00 O ATOM 0 H SER A 6 -10.880 -2.472 25.106 1.00 0.00 H new ATOM 0 HA SER A 6 -9.196 -2.678 23.645 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.687 -5.659 24.046 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.169 -4.898 23.612 1.00 0.00 H new ATOM 0 HG SER A 6 -8.296 -5.373 25.878 1.00 0.00 H new ATOM 59 N GLY A 7 -11.201 -2.996 21.694 1.00 0.00 N ATOM 60 CA GLY A 7 -11.678 -3.155 20.333 1.00 0.00 C ATOM 61 C GLY A 7 -11.251 -2.015 19.431 1.00 0.00 C ATOM 62 O GLY A 7 -12.018 -1.092 19.155 1.00 0.00 O ATOM 0 H GLY A 7 -11.629 -2.228 22.211 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.303 -4.095 19.928 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.766 -3.222 20.338 1.00 0.00 H new ATOM 66 N PRO A 8 -9.997 -2.068 18.956 1.00 0.00 N ATOM 67 CA PRO A 8 -9.440 -1.038 18.074 1.00 0.00 C ATOM 68 C PRO A 8 -10.071 -1.061 16.686 1.00 0.00 C ATOM 69 O PRO A 8 -10.881 -1.934 16.376 1.00 0.00 O ATOM 70 CB PRO A 8 -7.957 -1.405 17.992 1.00 0.00 C ATOM 71 CG PRO A 8 -7.912 -2.868 18.271 1.00 0.00 C ATOM 72 CD PRO A 8 -9.027 -3.138 19.243 1.00 0.00 C ATOM 0 HA PRO A 8 -9.624 -0.033 18.454 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.547 -1.177 17.008 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.370 -0.845 18.720 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.044 -3.444 17.355 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.949 -3.156 18.692 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.462 -4.126 19.091 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.679 -3.098 20.275 1.00 0.00 H new ATOM 80 N ALA A 9 -9.695 -0.095 15.854 1.00 0.00 N ATOM 81 CA ALA A 9 -10.223 -0.006 14.498 1.00 0.00 C ATOM 82 C ALA A 9 -9.497 1.069 13.696 1.00 0.00 C ATOM 83 O ALA A 9 -9.448 2.232 14.098 1.00 0.00 O ATOM 84 CB ALA A 9 -11.718 0.277 14.531 1.00 0.00 C ATOM 0 H ALA A 9 -9.027 0.637 16.095 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.057 -0.964 14.006 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.099 0.341 13.512 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.229 -0.528 15.060 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.898 1.221 15.045 1.00 0.00 H new ATOM 90 N THR A 10 -8.933 0.672 12.559 1.00 0.00 N ATOM 91 CA THR A 10 -8.208 1.601 11.701 1.00 0.00 C ATOM 92 C THR A 10 -7.868 0.960 10.361 1.00 0.00 C ATOM 93 O THR A 10 -7.600 -0.239 10.285 1.00 0.00 O ATOM 94 CB THR A 10 -6.907 2.085 12.370 1.00 0.00 C ATOM 95 OG1 THR A 10 -6.272 3.071 11.549 1.00 0.00 O ATOM 96 CG2 THR A 10 -5.955 0.923 12.606 1.00 0.00 C ATOM 0 H THR A 10 -8.965 -0.286 12.211 1.00 0.00 H new ATOM 0 HA THR A 10 -8.863 2.456 11.536 1.00 0.00 H new ATOM 0 HB THR A 10 -7.162 2.525 13.334 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.447 3.375 11.982 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.044 1.289 13.079 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.431 0.189 13.256 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.707 0.457 11.653 1.00 0.00 H new ATOM 104 N ASP A 11 -7.880 1.766 9.305 1.00 0.00 N ATOM 105 CA ASP A 11 -7.571 1.277 7.966 1.00 0.00 C ATOM 106 C ASP A 11 -6.951 2.381 7.115 1.00 0.00 C ATOM 107 O ASP A 11 -7.457 3.502 7.069 1.00 0.00 O ATOM 108 CB ASP A 11 -8.835 0.744 7.290 1.00 0.00 C ATOM 109 CG ASP A 11 -10.066 1.555 7.643 1.00 0.00 C ATOM 110 OD1 ASP A 11 -10.631 1.332 8.735 1.00 0.00 O ATOM 111 OD2 ASP A 11 -10.464 2.413 6.828 1.00 0.00 O ATOM 0 H ASP A 11 -8.100 2.761 9.350 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.849 0.466 8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.696 0.752 6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.991 -0.294 7.584 1.00 0.00 H new ATOM 116 N TRP A 12 -5.852 2.056 6.443 1.00 0.00 N ATOM 117 CA TRP A 12 -5.162 3.020 5.594 1.00 0.00 C ATOM 118 C TRP A 12 -5.154 2.558 4.141 1.00 0.00 C ATOM 119 O TRP A 12 -5.586 3.284 3.245 1.00 0.00 O ATOM 120 CB TRP A 12 -3.728 3.228 6.084 1.00 0.00 C ATOM 121 CG TRP A 12 -3.650 3.893 7.425 1.00 0.00 C ATOM 122 CD1 TRP A 12 -3.350 3.299 8.618 1.00 0.00 C ATOM 123 CD2 TRP A 12 -3.876 5.278 7.709 1.00 0.00 C ATOM 124 NE1 TRP A 12 -3.377 4.232 9.627 1.00 0.00 N ATOM 125 CE2 TRP A 12 -3.696 5.453 9.095 1.00 0.00 C ATOM 126 CE3 TRP A 12 -4.211 6.387 6.928 1.00 0.00 C ATOM 127 CZ2 TRP A 12 -3.841 6.692 9.714 1.00 0.00 C ATOM 128 CZ3 TRP A 12 -4.356 7.616 7.544 1.00 0.00 C ATOM 129 CH2 TRP A 12 -4.170 7.761 8.925 1.00 0.00 C ATOM 0 H TRP A 12 -5.420 1.132 6.470 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.699 3.967 5.652 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -3.225 2.262 6.135 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.186 3.831 5.355 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.125 2.251 8.749 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.190 4.045 10.612 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.354 6.286 5.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.699 6.805 10.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.617 8.480 6.950 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.289 8.735 9.376 1.00 0.00 H new ATOM 140 N LEU A 13 -4.660 1.346 3.913 1.00 0.00 N ATOM 141 CA LEU A 13 -4.596 0.786 2.567 1.00 0.00 C ATOM 142 C LEU A 13 -4.266 1.867 1.543 1.00 0.00 C ATOM 143 O LEU A 13 -4.876 1.932 0.476 1.00 0.00 O ATOM 144 CB LEU A 13 -5.923 0.116 2.209 1.00 0.00 C ATOM 145 CG LEU A 13 -7.163 1.009 2.264 1.00 0.00 C ATOM 146 CD1 LEU A 13 -8.260 0.455 1.368 1.00 0.00 C ATOM 147 CD2 LEU A 13 -7.659 1.144 3.696 1.00 0.00 C ATOM 0 H LEU A 13 -4.298 0.732 4.643 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.802 0.039 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.840 -0.294 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.076 -0.726 2.885 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.891 2.000 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.134 1.104 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.902 0.411 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.531 -0.547 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.542 1.783 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.915 0.159 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.876 1.587 4.312 1.00 0.00 H new ATOM 159 N SER A 14 -3.296 2.713 1.875 1.00 0.00 N ATOM 160 CA SER A 14 -2.886 3.793 0.984 1.00 0.00 C ATOM 161 C SER A 14 -2.659 3.272 -0.432 1.00 0.00 C ATOM 162 O SER A 14 -1.596 2.738 -0.745 1.00 0.00 O ATOM 163 CB SER A 14 -1.610 4.456 1.507 1.00 0.00 C ATOM 164 OG SER A 14 -1.821 5.031 2.785 1.00 0.00 O ATOM 0 H SER A 14 -2.780 2.672 2.754 1.00 0.00 H new ATOM 0 HA SER A 14 -3.686 4.533 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.810 3.718 1.565 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.284 5.226 0.808 1.00 0.00 H new ATOM 0 HG SER A 14 -0.990 5.447 3.098 1.00 0.00 H new ATOM 170 N ALA A 15 -3.666 3.434 -1.283 1.00 0.00 N ATOM 171 CA ALA A 15 -3.577 2.983 -2.666 1.00 0.00 C ATOM 172 C ALA A 15 -4.787 3.443 -3.473 1.00 0.00 C ATOM 173 O ALA A 15 -5.923 3.354 -3.009 1.00 0.00 O ATOM 174 CB ALA A 15 -3.450 1.467 -2.720 1.00 0.00 C ATOM 0 H ALA A 15 -4.553 3.874 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.686 3.428 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.384 1.144 -3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.551 1.158 -2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.323 1.012 -2.253 1.00 0.00 H new ATOM 180 N GLU A 16 -4.533 3.936 -4.681 1.00 0.00 N ATOM 181 CA GLU A 16 -5.603 4.412 -5.551 1.00 0.00 C ATOM 182 C GLU A 16 -5.889 3.406 -6.662 1.00 0.00 C ATOM 183 O GLU A 16 -5.498 3.607 -7.813 1.00 0.00 O ATOM 184 CB GLU A 16 -5.232 5.767 -6.157 1.00 0.00 C ATOM 185 CG GLU A 16 -5.676 6.952 -5.315 1.00 0.00 C ATOM 186 CD GLU A 16 -7.077 7.420 -5.658 1.00 0.00 C ATOM 187 OE1 GLU A 16 -8.003 6.581 -5.638 1.00 0.00 O ATOM 188 OE2 GLU A 16 -7.248 8.622 -5.947 1.00 0.00 O ATOM 0 H GLU A 16 -3.597 4.016 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.504 4.526 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.151 5.812 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.680 5.848 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.636 6.679 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.977 7.776 -5.457 1.00 0.00 H new ATOM 195 N THR A 17 -6.572 2.322 -6.310 1.00 0.00 N ATOM 196 CA THR A 17 -6.909 1.283 -7.276 1.00 0.00 C ATOM 197 C THR A 17 -5.726 0.975 -8.187 1.00 0.00 C ATOM 198 O THR A 17 -5.895 0.756 -9.386 1.00 0.00 O ATOM 199 CB THR A 17 -8.116 1.691 -8.141 1.00 0.00 C ATOM 200 OG1 THR A 17 -7.769 2.803 -8.975 1.00 0.00 O ATOM 201 CG2 THR A 17 -9.308 2.058 -7.269 1.00 0.00 C ATOM 0 H THR A 17 -6.903 2.140 -5.363 1.00 0.00 H new ATOM 0 HA THR A 17 -7.166 0.391 -6.705 1.00 0.00 H new ATOM 0 HB THR A 17 -8.390 0.841 -8.765 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.822 3.023 -8.849 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.148 2.343 -7.902 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.589 1.201 -6.657 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.042 2.894 -6.622 1.00 0.00 H new ATOM 209 N PHE A 18 -4.529 0.959 -7.610 1.00 0.00 N ATOM 210 CA PHE A 18 -3.318 0.677 -8.370 1.00 0.00 C ATOM 211 C PHE A 18 -3.471 -0.605 -9.183 1.00 0.00 C ATOM 212 O PHE A 18 -3.537 -0.569 -10.411 1.00 0.00 O ATOM 213 CB PHE A 18 -2.116 0.557 -7.430 1.00 0.00 C ATOM 214 CG PHE A 18 -1.423 1.865 -7.175 1.00 0.00 C ATOM 215 CD1 PHE A 18 -0.590 2.421 -8.132 1.00 0.00 C ATOM 216 CD2 PHE A 18 -1.603 2.537 -5.977 1.00 0.00 C ATOM 217 CE1 PHE A 18 0.050 3.625 -7.900 1.00 0.00 C ATOM 218 CE2 PHE A 18 -0.967 3.741 -5.739 1.00 0.00 C ATOM 219 CZ PHE A 18 -0.138 4.285 -6.701 1.00 0.00 C ATOM 0 H PHE A 18 -4.372 1.138 -6.618 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.151 1.505 -9.059 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.448 0.139 -6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.401 -0.147 -7.855 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.438 1.908 -9.070 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.248 2.115 -5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.696 4.049 -8.655 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.118 4.256 -4.802 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.362 5.224 -6.516 1.00 0.00 H new ATOM 229 N GLU A 19 -3.528 -1.736 -8.488 1.00 0.00 N ATOM 230 CA GLU A 19 -3.672 -3.030 -9.145 1.00 0.00 C ATOM 231 C GLU A 19 -3.949 -4.131 -8.125 1.00 0.00 C ATOM 232 O GLU A 19 -3.193 -4.313 -7.171 1.00 0.00 O ATOM 233 CB GLU A 19 -2.410 -3.365 -9.943 1.00 0.00 C ATOM 234 CG GLU A 19 -2.336 -4.818 -10.382 1.00 0.00 C ATOM 235 CD GLU A 19 -1.518 -5.005 -11.645 1.00 0.00 C ATOM 236 OE1 GLU A 19 -1.759 -4.267 -12.623 1.00 0.00 O ATOM 237 OE2 GLU A 19 -0.636 -5.889 -11.655 1.00 0.00 O ATOM 0 H GLU A 19 -3.477 -1.783 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.520 -2.969 -9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.367 -2.725 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.534 -3.132 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.901 -5.414 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.345 -5.195 -10.548 1.00 0.00 H new ATOM 244 N SER A 20 -5.040 -4.862 -8.334 1.00 0.00 N ATOM 245 CA SER A 20 -5.420 -5.942 -7.431 1.00 0.00 C ATOM 246 C SER A 20 -4.684 -7.231 -7.785 1.00 0.00 C ATOM 247 O SER A 20 -5.227 -8.327 -7.645 1.00 0.00 O ATOM 248 CB SER A 20 -6.931 -6.172 -7.486 1.00 0.00 C ATOM 249 OG SER A 20 -7.343 -7.093 -6.490 1.00 0.00 O ATOM 0 H SER A 20 -5.676 -4.726 -9.120 1.00 0.00 H new ATOM 0 HA SER A 20 -5.140 -5.652 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.452 -5.224 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.209 -6.548 -8.471 1.00 0.00 H new ATOM 0 HG SER A 20 -6.761 -7.881 -6.512 1.00 0.00 H new ATOM 255 N ASP A 21 -3.446 -7.090 -8.245 1.00 0.00 N ATOM 256 CA ASP A 21 -2.634 -8.242 -8.619 1.00 0.00 C ATOM 257 C ASP A 21 -1.279 -8.202 -7.919 1.00 0.00 C ATOM 258 O ASP A 21 -0.305 -8.787 -8.395 1.00 0.00 O ATOM 259 CB ASP A 21 -2.438 -8.284 -10.135 1.00 0.00 C ATOM 260 CG ASP A 21 -3.749 -8.414 -10.885 1.00 0.00 C ATOM 261 OD1 ASP A 21 -4.691 -9.021 -10.334 1.00 0.00 O ATOM 262 OD2 ASP A 21 -3.833 -7.907 -12.023 1.00 0.00 O ATOM 0 H ASP A 21 -2.983 -6.190 -8.368 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.159 -9.144 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.927 -7.377 -10.458 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.791 -9.123 -10.392 1.00 0.00 H new ATOM 267 N LEU A 22 -1.224 -7.509 -6.787 1.00 0.00 N ATOM 268 CA LEU A 22 0.012 -7.392 -6.021 1.00 0.00 C ATOM 269 C LEU A 22 0.075 -8.450 -4.924 1.00 0.00 C ATOM 270 O LEU A 22 -0.910 -9.137 -4.653 1.00 0.00 O ATOM 271 CB LEU A 22 0.123 -5.996 -5.406 1.00 0.00 C ATOM 272 CG LEU A 22 0.669 -4.900 -6.323 1.00 0.00 C ATOM 273 CD1 LEU A 22 2.108 -5.197 -6.712 1.00 0.00 C ATOM 274 CD2 LEU A 22 -0.203 -4.759 -7.563 1.00 0.00 C ATOM 0 H LEU A 22 -2.021 -7.020 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 22 0.849 -7.551 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.865 -5.694 -5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.763 -6.058 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 22 0.649 -3.955 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.479 -4.407 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.725 -5.246 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.154 -6.151 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.200 -3.975 -8.204 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.216 -5.703 -8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.219 -4.498 -7.266 1.00 0.00 H new ATOM 286 N ASP A 23 1.239 -8.573 -4.296 1.00 0.00 N ATOM 287 CA ASP A 23 1.430 -9.545 -3.225 1.00 0.00 C ATOM 288 C ASP A 23 2.037 -8.883 -1.992 1.00 0.00 C ATOM 289 O ASP A 23 3.073 -8.225 -2.077 1.00 0.00 O ATOM 290 CB ASP A 23 2.328 -10.689 -3.700 1.00 0.00 C ATOM 291 CG ASP A 23 1.541 -11.821 -4.329 1.00 0.00 C ATOM 292 OD1 ASP A 23 0.592 -11.534 -5.089 1.00 0.00 O ATOM 293 OD2 ASP A 23 1.873 -12.994 -4.062 1.00 0.00 O ATOM 0 H ASP A 23 2.064 -8.013 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 23 0.454 -9.948 -2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.048 -10.305 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.899 -11.073 -2.855 1.00 0.00 H new ATOM 298 N GLU A 24 1.384 -9.062 -0.848 1.00 0.00 N ATOM 299 CA GLU A 24 1.859 -8.480 0.401 1.00 0.00 C ATOM 300 C GLU A 24 2.111 -9.564 1.445 1.00 0.00 C ATOM 301 O GLU A 24 2.015 -9.319 2.648 1.00 0.00 O ATOM 302 CB GLU A 24 0.845 -7.468 0.936 1.00 0.00 C ATOM 303 CG GLU A 24 1.464 -6.387 1.807 1.00 0.00 C ATOM 304 CD GLU A 24 0.431 -5.620 2.609 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.536 -6.249 3.088 1.00 0.00 O ATOM 306 OE2 GLU A 24 0.590 -4.391 2.758 1.00 0.00 O ATOM 0 H GLU A 24 0.525 -9.605 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 24 2.800 -7.968 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.336 -6.998 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.086 -7.997 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.183 -6.842 2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.019 -5.692 1.177 1.00 0.00 H new ATOM 313 N THR A 25 2.434 -10.766 0.976 1.00 0.00 N ATOM 314 CA THR A 25 2.699 -11.888 1.868 1.00 0.00 C ATOM 315 C THR A 25 4.196 -12.107 2.047 1.00 0.00 C ATOM 316 O THR A 25 4.633 -12.693 3.038 1.00 0.00 O ATOM 317 CB THR A 25 2.061 -13.187 1.339 1.00 0.00 C ATOM 318 OG1 THR A 25 2.204 -14.232 2.308 1.00 0.00 O ATOM 319 CG2 THR A 25 2.707 -13.612 0.029 1.00 0.00 C ATOM 0 H THR A 25 2.518 -10.987 -0.016 1.00 0.00 H new ATOM 0 HA THR A 25 2.254 -11.638 2.831 1.00 0.00 H new ATOM 0 HB THR A 25 1.002 -13.000 1.160 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.795 -15.054 1.965 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.241 -14.531 -0.325 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.572 -12.827 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.772 -13.783 0.187 1.00 0.00 H new ATOM 327 N ARG A 26 4.979 -11.632 1.084 1.00 0.00 N ATOM 328 CA ARG A 26 6.429 -11.776 1.136 1.00 0.00 C ATOM 329 C ARG A 26 7.113 -10.413 1.092 1.00 0.00 C ATOM 330 O ARG A 26 6.538 -9.433 0.616 1.00 0.00 O ATOM 331 CB ARG A 26 6.919 -12.643 -0.025 1.00 0.00 C ATOM 332 CG ARG A 26 6.586 -12.071 -1.394 1.00 0.00 C ATOM 333 CD ARG A 26 7.037 -13.000 -2.510 1.00 0.00 C ATOM 334 NE ARG A 26 6.912 -12.377 -3.825 1.00 0.00 N ATOM 335 CZ ARG A 26 7.303 -12.958 -4.954 1.00 0.00 C ATOM 336 NH1 ARG A 26 7.841 -14.169 -4.928 1.00 0.00 N ATOM 337 NH2 ARG A 26 7.156 -12.326 -6.112 1.00 0.00 N ATOM 0 H ARG A 26 4.633 -11.144 0.258 1.00 0.00 H new ATOM 0 HA ARG A 26 6.687 -12.262 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.999 -12.766 0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.477 -13.636 0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.511 -11.905 -1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.067 -11.100 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.074 -13.290 -2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.443 -13.913 -2.484 1.00 0.00 H new ATOM 0 HE ARG A 26 6.502 -11.445 -3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.956 -14.657 -4.040 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.140 -14.613 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.743 -11.394 -6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.456 -12.773 -6.978 1.00 0.00 H new ATOM 351 N VAL A 27 8.343 -10.357 1.592 1.00 0.00 N ATOM 352 CA VAL A 27 9.106 -9.115 1.609 1.00 0.00 C ATOM 353 C VAL A 27 9.803 -8.880 0.273 1.00 0.00 C ATOM 354 O VAL A 27 10.224 -9.814 -0.409 1.00 0.00 O ATOM 355 CB VAL A 27 10.161 -9.119 2.731 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.504 -9.372 4.080 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.235 -10.158 2.449 1.00 0.00 C ATOM 0 H VAL A 27 8.833 -11.158 1.991 1.00 0.00 H new ATOM 0 HA VAL A 27 8.395 -8.310 1.792 1.00 0.00 H new ATOM 0 HB VAL A 27 10.636 -8.139 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.264 -9.371 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.775 -8.587 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.001 -10.339 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.972 -10.147 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.779 -11.146 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.725 -9.927 1.503 1.00 0.00 H new ATOM 367 N PRO A 28 9.930 -7.601 -0.111 1.00 0.00 N ATOM 368 CA PRO A 28 10.576 -7.212 -1.368 1.00 0.00 C ATOM 369 C PRO A 28 12.081 -7.456 -1.345 1.00 0.00 C ATOM 370 O PRO A 28 12.832 -6.702 -0.728 1.00 0.00 O ATOM 371 CB PRO A 28 10.280 -5.714 -1.470 1.00 0.00 C ATOM 372 CG PRO A 28 10.077 -5.270 -0.063 1.00 0.00 C ATOM 373 CD PRO A 28 9.452 -6.436 0.653 1.00 0.00 C ATOM 0 HA PRO A 28 10.206 -7.792 -2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.106 -5.179 -1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.394 -5.526 -2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.024 -4.991 0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.431 -4.393 -0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.766 -6.483 1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.364 -6.373 0.651 1.00 0.00 H new ATOM 381 N GLU A 29 12.514 -8.515 -2.022 1.00 0.00 N ATOM 382 CA GLU A 29 13.931 -8.858 -2.078 1.00 0.00 C ATOM 383 C GLU A 29 14.770 -7.643 -2.464 1.00 0.00 C ATOM 384 O GLU A 29 14.243 -6.548 -2.660 1.00 0.00 O ATOM 385 CB GLU A 29 14.164 -9.992 -3.079 1.00 0.00 C ATOM 386 CG GLU A 29 13.142 -11.112 -2.980 1.00 0.00 C ATOM 387 CD GLU A 29 13.533 -12.331 -3.792 1.00 0.00 C ATOM 388 OE1 GLU A 29 14.160 -12.158 -4.858 1.00 0.00 O ATOM 389 OE2 GLU A 29 13.211 -13.459 -3.362 1.00 0.00 O ATOM 0 H GLU A 29 11.905 -9.150 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 29 14.238 -9.189 -1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.145 -9.583 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.160 -10.406 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.023 -11.399 -1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.174 -10.747 -3.323 1.00 0.00 H new ATOM 396 N VAL A 30 16.079 -7.846 -2.570 1.00 0.00 N ATOM 397 CA VAL A 30 16.992 -6.768 -2.932 1.00 0.00 C ATOM 398 C VAL A 30 16.472 -5.989 -4.135 1.00 0.00 C ATOM 399 O VAL A 30 15.960 -6.556 -5.100 1.00 0.00 O ATOM 400 CB VAL A 30 18.398 -7.308 -3.253 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.323 -8.402 -4.307 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.311 -6.179 -3.709 1.00 0.00 C ATOM 0 H VAL A 30 16.531 -8.746 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 30 17.054 -6.103 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 30 18.818 -7.740 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.326 -8.771 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.706 -9.221 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.883 -7.999 -5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.300 -6.579 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 30 18.897 -5.715 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.390 -5.433 -2.918 1.00 0.00 H new ATOM 412 N PRO A 31 16.607 -4.655 -4.078 1.00 0.00 N ATOM 413 CA PRO A 31 16.157 -3.768 -5.156 1.00 0.00 C ATOM 414 C PRO A 31 17.014 -3.900 -6.410 1.00 0.00 C ATOM 415 O PRO A 31 18.084 -4.507 -6.381 1.00 0.00 O ATOM 416 CB PRO A 31 16.307 -2.370 -4.550 1.00 0.00 C ATOM 417 CG PRO A 31 17.363 -2.520 -3.509 1.00 0.00 C ATOM 418 CD PRO A 31 17.208 -3.911 -2.959 1.00 0.00 C ATOM 0 HA PRO A 31 15.142 -4.001 -5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.597 -1.640 -5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.369 -2.024 -4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.355 -2.378 -3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.245 -1.774 -2.723 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.167 -4.335 -2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.568 -3.925 -2.077 1.00 0.00 H new ATOM 426 N SER A 32 16.537 -3.326 -7.510 1.00 0.00 N ATOM 427 CA SER A 32 17.258 -3.382 -8.776 1.00 0.00 C ATOM 428 C SER A 32 18.726 -3.012 -8.582 1.00 0.00 C ATOM 429 O SER A 32 19.622 -3.757 -8.977 1.00 0.00 O ATOM 430 CB SER A 32 16.614 -2.442 -9.796 1.00 0.00 C ATOM 431 OG SER A 32 15.516 -3.064 -10.442 1.00 0.00 O ATOM 0 H SER A 32 15.654 -2.817 -7.550 1.00 0.00 H new ATOM 0 HA SER A 32 17.205 -4.404 -9.151 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.279 -1.533 -9.296 1.00 0.00 H new ATOM 0 HB3 SER A 32 17.355 -2.143 -10.538 1.00 0.00 H new ATOM 0 HG SER A 32 14.678 -2.709 -10.078 1.00 0.00 H new ATOM 437 N SER A 33 18.962 -1.856 -7.971 1.00 0.00 N ATOM 438 CA SER A 33 20.320 -1.383 -7.727 1.00 0.00 C ATOM 439 C SER A 33 20.315 -0.166 -6.808 1.00 0.00 C ATOM 440 O SER A 33 19.261 0.270 -6.341 1.00 0.00 O ATOM 441 CB SER A 33 21.006 -1.035 -9.050 1.00 0.00 C ATOM 442 OG SER A 33 22.410 -1.205 -8.955 1.00 0.00 O ATOM 0 H SER A 33 18.231 -1.229 -7.636 1.00 0.00 H new ATOM 0 HA SER A 33 20.875 -2.183 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 33 20.613 -1.668 -9.845 1.00 0.00 H new ATOM 0 HB3 SER A 33 20.779 -0.004 -9.321 1.00 0.00 H new ATOM 0 HG SER A 33 22.826 -0.978 -9.813 1.00 0.00 H new ATOM 448 N LEU A 34 21.499 0.379 -6.552 1.00 0.00 N ATOM 449 CA LEU A 34 21.633 1.547 -5.688 1.00 0.00 C ATOM 450 C LEU A 34 22.884 2.345 -6.042 1.00 0.00 C ATOM 451 O LEU A 34 24.006 1.865 -5.882 1.00 0.00 O ATOM 452 CB LEU A 34 21.687 1.117 -4.221 1.00 0.00 C ATOM 453 CG LEU A 34 22.421 2.065 -3.271 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.577 3.298 -2.989 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.774 1.351 -1.974 1.00 0.00 C ATOM 0 H LEU A 34 22.380 0.031 -6.930 1.00 0.00 H new ATOM 0 HA LEU A 34 20.762 2.184 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.665 0.993 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.165 0.139 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 34 23.346 2.385 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.116 3.960 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.374 3.821 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.635 2.997 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.296 2.040 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.861 1.002 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.418 0.499 -2.191 1.00 0.00 H new ATOM 467 N HIS A 35 22.682 3.568 -6.522 1.00 0.00 N ATOM 468 CA HIS A 35 23.794 4.435 -6.897 1.00 0.00 C ATOM 469 C HIS A 35 23.984 5.548 -5.871 1.00 0.00 C ATOM 470 O HIS A 35 23.014 6.114 -5.366 1.00 0.00 O ATOM 471 CB HIS A 35 23.555 5.037 -8.282 1.00 0.00 C ATOM 472 CG HIS A 35 24.339 6.289 -8.534 1.00 0.00 C ATOM 473 ND1 HIS A 35 23.750 7.525 -8.698 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.672 6.491 -8.648 1.00 0.00 C ATOM 475 CE1 HIS A 35 24.688 8.433 -8.904 1.00 0.00 C ATOM 476 NE2 HIS A 35 25.863 7.831 -8.878 1.00 0.00 N ATOM 0 H HIS A 35 21.760 3.981 -6.660 1.00 0.00 H new ATOM 0 HA HIS A 35 24.701 3.831 -6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.813 4.298 -9.040 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.493 5.254 -8.397 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.443 5.738 -8.572 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.522 9.488 -9.066 1.00 0.00 H new ATOM 0 HE2 HIS A 35 26.766 8.287 -9.008 1.00 0.00 H new ATOM 485 N VAL A 36 25.241 5.858 -5.567 1.00 0.00 N ATOM 486 CA VAL A 36 25.558 6.904 -4.601 1.00 0.00 C ATOM 487 C VAL A 36 26.627 7.846 -5.143 1.00 0.00 C ATOM 488 O VAL A 36 27.637 7.406 -5.692 1.00 0.00 O ATOM 489 CB VAL A 36 26.045 6.307 -3.267 1.00 0.00 C ATOM 490 CG1 VAL A 36 24.931 5.515 -2.599 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.271 5.436 -3.490 1.00 0.00 C ATOM 0 H VAL A 36 26.056 5.400 -5.975 1.00 0.00 H new ATOM 0 HA VAL A 36 24.639 7.463 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 36 26.325 7.125 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.293 5.101 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.084 6.172 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.617 4.704 -3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.602 5.022 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.021 4.623 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.071 6.037 -3.922 1.00 0.00 H new ATOM 501 N ARG A 37 26.397 9.146 -4.986 1.00 0.00 N ATOM 502 CA ARG A 37 27.340 10.151 -5.461 1.00 0.00 C ATOM 503 C ARG A 37 27.899 10.964 -4.297 1.00 0.00 C ATOM 504 O ARG A 37 27.206 11.779 -3.687 1.00 0.00 O ATOM 505 CB ARG A 37 26.661 11.082 -6.468 1.00 0.00 C ATOM 506 CG ARG A 37 27.638 11.909 -7.287 1.00 0.00 C ATOM 507 CD ARG A 37 27.002 13.200 -7.777 1.00 0.00 C ATOM 508 NE ARG A 37 26.224 12.999 -8.996 1.00 0.00 N ATOM 509 CZ ARG A 37 26.767 12.870 -10.202 1.00 0.00 C ATOM 510 NH1 ARG A 37 28.084 12.921 -10.348 1.00 0.00 N ATOM 511 NH2 ARG A 37 25.993 12.689 -11.264 1.00 0.00 N ATOM 0 H ARG A 37 25.566 9.527 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 37 28.166 9.636 -5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 37 26.047 10.487 -7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.989 11.753 -5.934 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.515 12.141 -6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 37 27.984 11.326 -8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 37 26.356 13.604 -6.998 1.00 0.00 H new ATOM 0 HD3 ARG A 37 27.781 13.940 -7.962 1.00 0.00 H new ATOM 0 HE ARG A 37 25.208 12.955 -8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 37 28.682 13.059 -9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 37 28.499 12.822 -11.275 1.00 0.00 H new ATOM 0 HH21 ARG A 37 24.980 12.649 -11.156 1.00 0.00 H new ATOM 0 HH22 ARG A 37 26.411 12.590 -12.189 1.00 0.00 H new ATOM 525 N PRO A 38 29.183 10.738 -3.980 1.00 0.00 N ATOM 526 CA PRO A 38 29.863 11.440 -2.888 1.00 0.00 C ATOM 527 C PRO A 38 30.098 12.913 -3.202 1.00 0.00 C ATOM 528 O PRO A 38 30.674 13.254 -4.236 1.00 0.00 O ATOM 529 CB PRO A 38 31.198 10.699 -2.768 1.00 0.00 C ATOM 530 CG PRO A 38 31.429 10.115 -4.119 1.00 0.00 C ATOM 531 CD PRO A 38 30.068 9.782 -4.664 1.00 0.00 C ATOM 0 HA PRO A 38 29.273 11.436 -1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.004 11.377 -2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.153 9.923 -2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.946 10.823 -4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.054 9.224 -4.057 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.028 9.902 -5.747 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.790 8.751 -4.447 1.00 0.00 H new ATOM 539 N LEU A 39 29.650 13.784 -2.304 1.00 0.00 N ATOM 540 CA LEU A 39 29.812 15.222 -2.486 1.00 0.00 C ATOM 541 C LEU A 39 30.626 15.827 -1.347 1.00 0.00 C ATOM 542 O LEU A 39 30.659 15.289 -0.239 1.00 0.00 O ATOM 543 CB LEU A 39 28.444 15.903 -2.568 1.00 0.00 C ATOM 544 CG LEU A 39 27.798 15.946 -3.953 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.931 14.717 -4.176 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.978 17.217 -4.119 1.00 0.00 C ATOM 0 H LEU A 39 29.172 13.519 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 39 30.350 15.387 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.764 15.391 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.547 16.926 -2.205 1.00 0.00 H new ATOM 0 HG LEU A 39 28.589 15.947 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.480 14.765 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.545 13.820 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.146 14.684 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.525 17.231 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 39 26.194 17.246 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.626 18.086 -4.004 1.00 0.00 H new ATOM 558 N VAL A 40 31.281 16.949 -1.625 1.00 0.00 N ATOM 559 CA VAL A 40 32.093 17.629 -0.622 1.00 0.00 C ATOM 560 C VAL A 40 31.521 17.428 0.777 1.00 0.00 C ATOM 561 O VAL A 40 32.058 16.658 1.574 1.00 0.00 O ATOM 562 CB VAL A 40 32.193 19.139 -0.911 1.00 0.00 C ATOM 563 CG1 VAL A 40 33.062 19.825 0.131 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.737 19.377 -2.312 1.00 0.00 C ATOM 0 H VAL A 40 31.266 17.407 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 40 33.089 17.190 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 40 31.193 19.570 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 40 33.121 20.891 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.626 19.682 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 40 34.063 19.394 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.801 20.449 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.729 18.933 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 40 32.071 18.920 -3.044 1.00 0.00 H new ATOM 574 N THR A 41 30.427 18.125 1.069 1.00 0.00 N ATOM 575 CA THR A 41 29.782 18.023 2.372 1.00 0.00 C ATOM 576 C THR A 41 28.390 17.415 2.250 1.00 0.00 C ATOM 577 O THR A 41 27.521 17.658 3.087 1.00 0.00 O ATOM 578 CB THR A 41 29.670 19.401 3.052 1.00 0.00 C ATOM 579 OG1 THR A 41 28.986 20.318 2.191 1.00 0.00 O ATOM 580 CG2 THR A 41 31.048 19.949 3.394 1.00 0.00 C ATOM 0 H THR A 41 29.969 18.766 0.421 1.00 0.00 H new ATOM 0 HA THR A 41 30.407 17.373 2.984 1.00 0.00 H new ATOM 0 HB THR A 41 29.105 19.281 3.976 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.917 21.191 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.944 20.923 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.554 19.263 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.634 20.055 2.481 1.00 0.00 H new ATOM 588 N SER A 42 28.185 16.622 1.203 1.00 0.00 N ATOM 589 CA SER A 42 26.896 15.981 0.971 1.00 0.00 C ATOM 590 C SER A 42 27.075 14.649 0.248 1.00 0.00 C ATOM 591 O SER A 42 28.195 14.248 -0.070 1.00 0.00 O ATOM 592 CB SER A 42 25.986 16.899 0.154 1.00 0.00 C ATOM 593 OG SER A 42 26.681 17.459 -0.947 1.00 0.00 O ATOM 0 H SER A 42 28.895 16.408 0.502 1.00 0.00 H new ATOM 0 HA SER A 42 26.433 15.790 1.939 1.00 0.00 H new ATOM 0 HB2 SER A 42 25.124 16.336 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.604 17.697 0.790 1.00 0.00 H new ATOM 0 HG SER A 42 26.132 18.158 -1.359 1.00 0.00 H new ATOM 599 N ILE A 43 25.962 13.969 -0.009 1.00 0.00 N ATOM 600 CA ILE A 43 25.995 12.683 -0.694 1.00 0.00 C ATOM 601 C ILE A 43 24.648 12.367 -1.335 1.00 0.00 C ATOM 602 O ILE A 43 23.673 12.072 -0.643 1.00 0.00 O ATOM 603 CB ILE A 43 26.374 11.541 0.267 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.763 11.786 0.862 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.330 10.203 -0.456 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.229 10.679 1.782 1.00 0.00 C ATOM 0 H ILE A 43 25.027 14.287 0.247 1.00 0.00 H new ATOM 0 HA ILE A 43 26.756 12.760 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 43 25.650 11.516 1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.482 11.900 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.753 12.726 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.600 9.406 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.324 10.028 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.035 10.215 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.220 10.919 2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.531 10.579 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.272 9.740 1.229 1.00 0.00 H new ATOM 618 N VAL A 44 24.600 12.429 -2.662 1.00 0.00 N ATOM 619 CA VAL A 44 23.373 12.147 -3.397 1.00 0.00 C ATOM 620 C VAL A 44 23.171 10.646 -3.574 1.00 0.00 C ATOM 621 O VAL A 44 23.706 10.043 -4.504 1.00 0.00 O ATOM 622 CB VAL A 44 23.381 12.820 -4.782 1.00 0.00 C ATOM 623 CG1 VAL A 44 22.106 12.490 -5.544 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.555 14.325 -4.642 1.00 0.00 C ATOM 0 H VAL A 44 25.397 12.672 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 44 22.551 12.554 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 44 24.226 12.431 -5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.130 12.974 -6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 44 22.030 11.411 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.243 12.848 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.558 14.784 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.732 14.733 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.499 14.537 -4.140 1.00 0.00 H new ATOM 634 N VAL A 45 22.396 10.048 -2.675 1.00 0.00 N ATOM 635 CA VAL A 45 22.122 8.618 -2.732 1.00 0.00 C ATOM 636 C VAL A 45 20.896 8.327 -3.590 1.00 0.00 C ATOM 637 O VAL A 45 19.760 8.472 -3.138 1.00 0.00 O ATOM 638 CB VAL A 45 21.901 8.032 -1.325 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.593 6.544 -1.408 1.00 0.00 C ATOM 640 CG2 VAL A 45 23.116 8.284 -0.446 1.00 0.00 C ATOM 0 H VAL A 45 21.947 10.533 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 45 22.996 8.146 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 45 21.044 8.532 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.440 6.148 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.690 6.392 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.428 6.025 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.942 7.863 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.992 7.813 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.286 9.357 -0.359 1.00 0.00 H new ATOM 650 N SER A 46 21.133 7.916 -4.832 1.00 0.00 N ATOM 651 CA SER A 46 20.047 7.608 -5.756 1.00 0.00 C ATOM 652 C SER A 46 19.890 6.100 -5.925 1.00 0.00 C ATOM 653 O SER A 46 20.854 5.394 -6.221 1.00 0.00 O ATOM 654 CB SER A 46 20.305 8.261 -7.115 1.00 0.00 C ATOM 655 OG SER A 46 19.557 7.625 -8.136 1.00 0.00 O ATOM 0 H SER A 46 22.067 7.789 -5.222 1.00 0.00 H new ATOM 0 HA SER A 46 19.123 8.008 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.041 9.318 -7.070 1.00 0.00 H new ATOM 0 HB3 SER A 46 21.368 8.208 -7.352 1.00 0.00 H new ATOM 0 HG SER A 46 19.738 8.062 -8.994 1.00 0.00 H new ATOM 661 N TRP A 47 18.668 5.614 -5.735 1.00 0.00 N ATOM 662 CA TRP A 47 18.384 4.190 -5.866 1.00 0.00 C ATOM 663 C TRP A 47 17.289 3.947 -6.899 1.00 0.00 C ATOM 664 O TRP A 47 16.831 4.876 -7.564 1.00 0.00 O ATOM 665 CB TRP A 47 17.966 3.606 -4.515 1.00 0.00 C ATOM 666 CG TRP A 47 16.747 4.259 -3.937 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.451 3.860 -4.094 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.712 5.427 -3.110 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.612 4.710 -3.415 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.361 5.680 -2.803 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.691 6.284 -2.598 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.967 6.753 -2.008 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.298 7.349 -1.810 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.946 7.575 -1.520 1.00 0.00 C ATOM 0 H TRP A 47 17.859 6.185 -5.490 1.00 0.00 H new ATOM 0 HA TRP A 47 19.293 3.693 -6.203 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.777 2.539 -4.631 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.792 3.709 -3.812 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.132 3.002 -4.668 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.596 4.632 -3.373 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.736 6.117 -2.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.925 6.930 -1.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 18.046 8.018 -1.411 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.671 8.415 -0.899 1.00 0.00 H new ATOM 685 N THR A 48 16.873 2.691 -7.030 1.00 0.00 N ATOM 686 CA THR A 48 15.833 2.326 -7.983 1.00 0.00 C ATOM 687 C THR A 48 14.923 1.242 -7.416 1.00 0.00 C ATOM 688 O THR A 48 15.296 0.497 -6.510 1.00 0.00 O ATOM 689 CB THR A 48 16.436 1.831 -9.311 1.00 0.00 C ATOM 690 OG1 THR A 48 17.658 1.127 -9.062 1.00 0.00 O ATOM 691 CG2 THR A 48 16.699 2.996 -10.254 1.00 0.00 C ATOM 0 H THR A 48 17.241 1.909 -6.488 1.00 0.00 H new ATOM 0 HA THR A 48 15.248 3.226 -8.171 1.00 0.00 H new ATOM 0 HB THR A 48 15.719 1.158 -9.781 1.00 0.00 H new ATOM 0 HG1 THR A 48 18.034 0.814 -9.911 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.125 2.622 -11.185 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.762 3.512 -10.465 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.399 3.690 -9.788 1.00 0.00 H new ATOM 699 N PRO A 49 13.701 1.149 -7.961 1.00 0.00 N ATOM 700 CA PRO A 49 12.713 0.157 -7.525 1.00 0.00 C ATOM 701 C PRO A 49 13.104 -1.263 -7.920 1.00 0.00 C ATOM 702 O PRO A 49 13.917 -1.481 -8.818 1.00 0.00 O ATOM 703 CB PRO A 49 11.437 0.583 -8.256 1.00 0.00 C ATOM 704 CG PRO A 49 11.917 1.319 -9.459 1.00 0.00 C ATOM 705 CD PRO A 49 13.189 2.005 -9.045 1.00 0.00 C ATOM 0 HA PRO A 49 12.611 0.132 -6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.834 -0.281 -8.535 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.813 1.218 -7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.095 0.636 -10.289 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.175 2.043 -9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.896 2.073 -9.872 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.003 3.022 -8.700 1.00 0.00 H new ATOM 713 N PRO A 50 12.513 -2.252 -7.235 1.00 0.00 N ATOM 714 CA PRO A 50 12.783 -3.669 -7.497 1.00 0.00 C ATOM 715 C PRO A 50 12.219 -4.128 -8.838 1.00 0.00 C ATOM 716 O PRO A 50 11.025 -3.990 -9.098 1.00 0.00 O ATOM 717 CB PRO A 50 12.074 -4.385 -6.345 1.00 0.00 C ATOM 718 CG PRO A 50 10.993 -3.450 -5.926 1.00 0.00 C ATOM 719 CD PRO A 50 11.534 -2.065 -6.151 1.00 0.00 C ATOM 0 HA PRO A 50 13.852 -3.877 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.666 -5.343 -6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.761 -4.590 -5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.087 -3.615 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.730 -3.601 -4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.746 -1.368 -6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.002 -1.666 -5.251 1.00 0.00 H new ATOM 727 N GLU A 51 13.087 -4.675 -9.683 1.00 0.00 N ATOM 728 CA GLU A 51 12.674 -5.154 -10.997 1.00 0.00 C ATOM 729 C GLU A 51 11.259 -5.724 -10.948 1.00 0.00 C ATOM 730 O GLU A 51 10.464 -5.519 -11.865 1.00 0.00 O ATOM 731 CB GLU A 51 13.647 -6.219 -11.506 1.00 0.00 C ATOM 732 CG GLU A 51 14.794 -5.653 -12.326 1.00 0.00 C ATOM 733 CD GLU A 51 16.021 -6.544 -12.306 1.00 0.00 C ATOM 734 OE1 GLU A 51 16.373 -7.045 -11.218 1.00 0.00 O ATOM 735 OE2 GLU A 51 16.629 -6.740 -13.380 1.00 0.00 O ATOM 0 H GLU A 51 14.079 -4.797 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 51 12.683 -4.307 -11.683 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.054 -6.764 -10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.099 -6.940 -12.113 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.466 -5.516 -13.356 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.059 -4.668 -11.942 1.00 0.00 H new ATOM 742 N ASN A 52 10.953 -6.441 -9.872 1.00 0.00 N ATOM 743 CA ASN A 52 9.635 -7.042 -9.703 1.00 0.00 C ATOM 744 C ASN A 52 8.678 -6.071 -9.017 1.00 0.00 C ATOM 745 O ASN A 52 8.979 -5.539 -7.949 1.00 0.00 O ATOM 746 CB ASN A 52 9.741 -8.332 -8.887 1.00 0.00 C ATOM 747 CG ASN A 52 8.773 -9.398 -9.363 1.00 0.00 C ATOM 748 OD1 ASN A 52 8.116 -9.241 -10.393 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.679 -10.490 -8.613 1.00 0.00 N ATOM 0 H ASN A 52 11.600 -6.620 -9.104 1.00 0.00 H new ATOM 0 HA ASN A 52 9.240 -7.276 -10.692 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.759 -8.716 -8.950 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.547 -8.112 -7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.043 -11.241 -8.883 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.242 -10.578 -7.767 1.00 0.00 H new ATOM 756 N GLN A 53 7.525 -5.848 -9.639 1.00 0.00 N ATOM 757 CA GLN A 53 6.525 -4.941 -9.089 1.00 0.00 C ATOM 758 C GLN A 53 5.458 -5.711 -8.317 1.00 0.00 C ATOM 759 O GLN A 53 4.953 -5.240 -7.299 1.00 0.00 O ATOM 760 CB GLN A 53 5.873 -4.127 -10.208 1.00 0.00 C ATOM 761 CG GLN A 53 6.688 -2.916 -10.633 1.00 0.00 C ATOM 762 CD GLN A 53 8.179 -3.128 -10.465 1.00 0.00 C ATOM 763 OE1 GLN A 53 8.836 -3.715 -11.325 1.00 0.00 O ATOM 764 NE2 GLN A 53 8.724 -2.651 -9.351 1.00 0.00 N ATOM 0 H GLN A 53 7.260 -6.282 -10.523 1.00 0.00 H new ATOM 0 HA GLN A 53 7.027 -4.262 -8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.718 -4.772 -11.073 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.889 -3.795 -9.878 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.473 -2.686 -11.677 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.379 -2.051 -10.046 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.143 -2.171 -8.664 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.724 -2.765 -9.183 1.00 0.00 H new ATOM 773 N ASN A 54 5.120 -6.899 -8.810 1.00 0.00 N ATOM 774 CA ASN A 54 4.113 -7.734 -8.166 1.00 0.00 C ATOM 775 C ASN A 54 4.213 -7.636 -6.647 1.00 0.00 C ATOM 776 O ASN A 54 3.223 -7.814 -5.937 1.00 0.00 O ATOM 777 CB ASN A 54 4.272 -9.191 -8.606 1.00 0.00 C ATOM 778 CG ASN A 54 5.493 -9.849 -7.994 1.00 0.00 C ATOM 779 OD1 ASN A 54 6.609 -9.129 -7.980 1.00 0.00 O flip ATOM 780 ND2 ASN A 54 5.434 -10.991 -7.538 1.00 0.00 N flip ATOM 0 H ASN A 54 5.528 -7.304 -9.652 1.00 0.00 H new ATOM 0 HA ASN A 54 3.130 -7.374 -8.471 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.381 -9.752 -8.325 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.346 -9.234 -9.693 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.555 -11.508 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.264 -11.420 -7.129 1.00 0.00 H new ATOM 787 N ILE A 55 5.414 -7.349 -6.157 1.00 0.00 N ATOM 788 CA ILE A 55 5.644 -7.225 -4.723 1.00 0.00 C ATOM 789 C ILE A 55 5.197 -5.860 -4.211 1.00 0.00 C ATOM 790 O ILE A 55 5.453 -4.834 -4.841 1.00 0.00 O ATOM 791 CB ILE A 55 7.128 -7.432 -4.370 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.576 -8.842 -4.761 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.359 -7.191 -2.885 1.00 0.00 C ATOM 794 CD1 ILE A 55 9.060 -9.075 -4.586 1.00 0.00 C ATOM 0 H ILE A 55 6.243 -7.198 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 55 5.053 -8.003 -4.241 1.00 0.00 H new ATOM 0 HB ILE A 55 7.723 -6.712 -4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.029 -9.568 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.308 -9.024 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.413 -7.341 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.074 -6.169 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.756 -7.889 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.306 -10.095 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.614 -8.373 -5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.331 -8.925 -3.541 1.00 0.00 H new ATOM 806 N VAL A 56 4.528 -5.855 -3.062 1.00 0.00 N ATOM 807 CA VAL A 56 4.048 -4.615 -2.463 1.00 0.00 C ATOM 808 C VAL A 56 5.161 -3.906 -1.699 1.00 0.00 C ATOM 809 O VAL A 56 5.636 -4.397 -0.675 1.00 0.00 O ATOM 810 CB VAL A 56 2.869 -4.875 -1.506 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.498 -3.603 -0.758 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.673 -5.421 -2.271 1.00 0.00 C ATOM 0 H VAL A 56 4.306 -6.695 -2.528 1.00 0.00 H new ATOM 0 HA VAL A 56 3.710 -3.978 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 56 3.175 -5.622 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.663 -3.806 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.355 -3.259 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.210 -2.832 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.849 -5.599 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.363 -4.698 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.948 -6.357 -2.756 1.00 0.00 H new ATOM 822 N VAL A 57 5.573 -2.749 -2.205 1.00 0.00 N ATOM 823 CA VAL A 57 6.630 -1.970 -1.571 1.00 0.00 C ATOM 824 C VAL A 57 6.057 -0.769 -0.827 1.00 0.00 C ATOM 825 O VAL A 57 5.272 0.001 -1.382 1.00 0.00 O ATOM 826 CB VAL A 57 7.661 -1.477 -2.603 1.00 0.00 C ATOM 827 CG1 VAL A 57 8.704 -0.593 -1.936 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.319 -2.656 -3.304 1.00 0.00 C ATOM 0 H VAL A 57 5.191 -2.330 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 57 7.127 -2.631 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 57 7.141 -0.881 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.424 -0.254 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.215 0.270 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.222 -1.161 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.045 -2.289 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.826 -3.280 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.559 -3.245 -3.817 1.00 0.00 H new ATOM 838 N ARG A 58 6.455 -0.614 0.431 1.00 0.00 N ATOM 839 CA ARG A 58 5.980 0.493 1.252 1.00 0.00 C ATOM 840 C ARG A 58 7.025 1.603 1.324 1.00 0.00 C ATOM 841 O ARG A 58 6.704 2.782 1.179 1.00 0.00 O ATOM 842 CB ARG A 58 5.642 0.004 2.661 1.00 0.00 C ATOM 843 CG ARG A 58 4.415 -0.892 2.717 1.00 0.00 C ATOM 844 CD ARG A 58 3.144 -0.083 2.924 1.00 0.00 C ATOM 845 NE ARG A 58 2.602 0.416 1.663 1.00 0.00 N ATOM 846 CZ ARG A 58 1.328 0.755 1.494 1.00 0.00 C ATOM 847 NH1 ARG A 58 0.471 0.649 2.500 1.00 0.00 N ATOM 848 NH2 ARG A 58 0.910 1.202 0.316 1.00 0.00 N ATOM 0 H ARG A 58 7.105 -1.241 0.904 1.00 0.00 H new ATOM 0 HA ARG A 58 5.079 0.895 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.497 -0.540 3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.481 0.867 3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.338 -1.463 1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.526 -1.612 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.397 -0.702 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.353 0.757 3.587 1.00 0.00 H new ATOM 0 HE ARG A 58 3.235 0.509 0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.789 0.307 3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.506 0.910 2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.567 1.285 -0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.068 1.462 0.187 1.00 0.00 H new ATOM 862 N GLY A 59 8.277 1.217 1.551 1.00 0.00 N ATOM 863 CA GLY A 59 9.349 2.190 1.640 1.00 0.00 C ATOM 864 C GLY A 59 10.718 1.542 1.693 1.00 0.00 C ATOM 865 O GLY A 59 10.830 0.321 1.814 1.00 0.00 O ATOM 0 H GLY A 59 8.568 0.247 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.300 2.859 0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.206 2.803 2.530 1.00 0.00 H new ATOM 869 N TYR A 60 11.762 2.358 1.600 1.00 0.00 N ATOM 870 CA TYR A 60 13.130 1.856 1.634 1.00 0.00 C ATOM 871 C TYR A 60 13.921 2.506 2.765 1.00 0.00 C ATOM 872 O TYR A 60 13.510 3.525 3.320 1.00 0.00 O ATOM 873 CB TYR A 60 13.824 2.117 0.296 1.00 0.00 C ATOM 874 CG TYR A 60 12.989 1.734 -0.905 1.00 0.00 C ATOM 875 CD1 TYR A 60 11.995 2.579 -1.382 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.194 0.527 -1.562 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.229 2.233 -2.478 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.433 0.173 -2.659 1.00 0.00 C ATOM 879 CZ TYR A 60 11.452 1.029 -3.113 1.00 0.00 C ATOM 880 OH TYR A 60 10.692 0.681 -4.206 1.00 0.00 O ATOM 0 H TYR A 60 11.687 3.370 1.500 1.00 0.00 H new ATOM 0 HA TYR A 60 13.092 0.781 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.078 3.175 0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.761 1.561 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.818 3.523 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.961 -0.146 -1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.460 2.901 -2.836 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.605 -0.769 -3.158 1.00 0.00 H new ATOM 0 HH TYR A 60 11.125 1.007 -5.023 1.00 0.00 H new ATOM 890 N ALA A 61 15.060 1.909 3.101 1.00 0.00 N ATOM 891 CA ALA A 61 15.911 2.429 4.164 1.00 0.00 C ATOM 892 C ALA A 61 17.301 2.768 3.637 1.00 0.00 C ATOM 893 O ALA A 61 17.842 2.061 2.787 1.00 0.00 O ATOM 894 CB ALA A 61 16.006 1.426 5.303 1.00 0.00 C ATOM 0 H ALA A 61 15.415 1.065 2.652 1.00 0.00 H new ATOM 0 HA ALA A 61 15.460 3.347 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.645 1.828 6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.011 1.237 5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.431 0.493 4.932 1.00 0.00 H new ATOM 900 N ILE A 62 17.873 3.854 4.147 1.00 0.00 N ATOM 901 CA ILE A 62 19.201 4.285 3.728 1.00 0.00 C ATOM 902 C ILE A 62 20.155 4.359 4.915 1.00 0.00 C ATOM 903 O ILE A 62 20.084 5.282 5.726 1.00 0.00 O ATOM 904 CB ILE A 62 19.153 5.660 3.035 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.175 5.629 1.859 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.542 6.065 2.565 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.517 6.964 1.586 1.00 0.00 C ATOM 0 H ILE A 62 17.438 4.451 4.850 1.00 0.00 H new ATOM 0 HA ILE A 62 19.565 3.542 3.019 1.00 0.00 H new ATOM 0 HB ILE A 62 18.804 6.401 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.706 5.305 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.403 4.886 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.492 7.039 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.214 6.122 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 62 20.917 5.325 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.837 6.868 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 62 16.958 7.281 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.281 7.706 1.355 1.00 0.00 H new ATOM 919 N GLY A 63 21.051 3.381 5.009 1.00 0.00 N ATOM 920 CA GLY A 63 22.009 3.355 6.099 1.00 0.00 C ATOM 921 C GLY A 63 23.403 3.751 5.655 1.00 0.00 C ATOM 922 O GLY A 63 23.954 3.167 4.721 1.00 0.00 O ATOM 0 H GLY A 63 21.130 2.607 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.676 4.031 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.039 2.354 6.529 1.00 0.00 H new ATOM 926 N TYR A 64 23.975 4.746 6.324 1.00 0.00 N ATOM 927 CA TYR A 64 25.313 5.222 5.990 1.00 0.00 C ATOM 928 C TYR A 64 26.216 5.213 7.219 1.00 0.00 C ATOM 929 O TYR A 64 25.743 5.119 8.351 1.00 0.00 O ATOM 930 CB TYR A 64 25.243 6.633 5.404 1.00 0.00 C ATOM 931 CG TYR A 64 24.390 7.583 6.213 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.003 7.500 6.183 1.00 0.00 C ATOM 933 CD2 TYR A 64 24.970 8.565 7.006 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.220 8.367 6.920 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.195 9.435 7.748 1.00 0.00 C ATOM 936 CZ TYR A 64 22.820 9.332 7.701 1.00 0.00 C ATOM 937 OH TYR A 64 22.044 10.198 8.437 1.00 0.00 O ATOM 0 H TYR A 64 23.534 5.239 7.100 1.00 0.00 H new ATOM 0 HA TYR A 64 25.737 4.548 5.246 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.253 7.037 5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.848 6.577 4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.529 6.745 5.573 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.046 8.650 7.043 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.143 8.289 6.885 1.00 0.00 H new ATOM 0 HE2 TYR A 64 24.663 10.191 8.361 1.00 0.00 H new ATOM 0 HH TYR A 64 22.622 10.815 8.932 1.00 0.00 H new ATOM 947 N GLY A 65 27.521 5.314 6.987 1.00 0.00 N ATOM 948 CA GLY A 65 28.472 5.317 8.084 1.00 0.00 C ATOM 949 C GLY A 65 29.828 4.777 7.677 1.00 0.00 C ATOM 950 O GLY A 65 29.921 3.721 7.050 1.00 0.00 O ATOM 0 H GLY A 65 27.937 5.394 6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.587 6.334 8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.077 4.718 8.905 1.00 0.00 H new ATOM 954 N ILE A 66 30.883 5.504 8.031 1.00 0.00 N ATOM 955 CA ILE A 66 32.241 5.091 7.698 1.00 0.00 C ATOM 956 C ILE A 66 32.591 3.763 8.362 1.00 0.00 C ATOM 957 O ILE A 66 32.297 3.548 9.537 1.00 0.00 O ATOM 958 CB ILE A 66 33.272 6.152 8.124 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.934 7.505 7.494 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.676 5.715 7.732 1.00 0.00 C ATOM 961 CD1 ILE A 66 32.022 8.358 8.348 1.00 0.00 C ATOM 0 H ILE A 66 30.823 6.381 8.548 1.00 0.00 H new ATOM 0 HA ILE A 66 32.278 4.974 6.615 1.00 0.00 H new ATOM 0 HB ILE A 66 33.235 6.258 9.208 1.00 0.00 H new ATOM 0 HG12 ILE A 66 33.859 8.051 7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 66 32.461 7.338 6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.393 6.476 8.040 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.914 4.772 8.224 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.728 5.584 6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 66 31.825 9.302 7.839 1.00 0.00 H new ATOM 0 HD12 ILE A 66 31.082 7.832 8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 66 32.501 8.556 9.307 1.00 0.00 H new ATOM 973 N GLY A 67 33.222 2.875 7.600 1.00 0.00 N ATOM 974 CA GLY A 67 33.604 1.580 8.131 1.00 0.00 C ATOM 975 C GLY A 67 32.453 0.594 8.137 1.00 0.00 C ATOM 976 O GLY A 67 32.618 -0.566 7.757 1.00 0.00 O ATOM 0 H GLY A 67 33.475 3.030 6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 67 34.423 1.174 7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.978 1.703 9.147 1.00 0.00 H new ATOM 980 N SER A 68 31.283 1.054 8.570 1.00 0.00 N ATOM 981 CA SER A 68 30.101 0.202 8.628 1.00 0.00 C ATOM 982 C SER A 68 28.827 1.040 8.628 1.00 0.00 C ATOM 983 O SER A 68 28.739 2.083 9.276 1.00 0.00 O ATOM 984 CB SER A 68 30.144 -0.681 9.877 1.00 0.00 C ATOM 985 OG SER A 68 31.049 -1.758 9.710 1.00 0.00 O ATOM 0 H SER A 68 31.129 2.012 8.886 1.00 0.00 H new ATOM 0 HA SER A 68 30.097 -0.433 7.742 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.441 -0.083 10.739 1.00 0.00 H new ATOM 0 HB3 SER A 68 29.147 -1.069 10.086 1.00 0.00 H new ATOM 0 HG SER A 68 31.694 -1.537 9.006 1.00 0.00 H new ATOM 991 N PRO A 69 27.814 0.575 7.881 1.00 0.00 N ATOM 992 CA PRO A 69 26.525 1.266 7.778 1.00 0.00 C ATOM 993 C PRO A 69 25.727 1.203 9.076 1.00 0.00 C ATOM 994 O PRO A 69 24.618 1.731 9.161 1.00 0.00 O ATOM 995 CB PRO A 69 25.801 0.500 6.667 1.00 0.00 C ATOM 996 CG PRO A 69 26.412 -0.858 6.683 1.00 0.00 C ATOM 997 CD PRO A 69 27.848 -0.661 7.082 1.00 0.00 C ATOM 0 HA PRO A 69 26.648 2.329 7.572 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.728 0.453 6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.936 0.984 5.700 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.897 -1.509 7.389 1.00 0.00 H new ATOM 0 HG3 PRO A 69 26.340 -1.330 5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 69 28.223 -1.504 7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 69 28.496 -0.559 6.212 1.00 0.00 H new ATOM 1005 N HIS A 70 26.298 0.554 10.085 1.00 0.00 N ATOM 1006 CA HIS A 70 25.640 0.423 11.380 1.00 0.00 C ATOM 1007 C HIS A 70 25.852 1.675 12.226 1.00 0.00 C ATOM 1008 O HIS A 70 26.125 1.588 13.423 1.00 0.00 O ATOM 1009 CB HIS A 70 26.169 -0.804 12.123 1.00 0.00 C ATOM 1010 CG HIS A 70 25.641 -2.101 11.590 1.00 0.00 C ATOM 1011 ND1 HIS A 70 24.356 -2.544 11.826 1.00 0.00 N ATOM 1012 CD2 HIS A 70 26.231 -3.051 10.828 1.00 0.00 C ATOM 1013 CE1 HIS A 70 24.180 -3.711 11.233 1.00 0.00 C ATOM 1014 NE2 HIS A 70 25.303 -4.041 10.620 1.00 0.00 N ATOM 0 H HIS A 70 27.215 0.110 10.031 1.00 0.00 H new ATOM 0 HA HIS A 70 24.571 0.300 11.206 1.00 0.00 H new ATOM 0 HB2 HIS A 70 27.257 -0.813 12.064 1.00 0.00 H new ATOM 0 HB3 HIS A 70 25.907 -0.721 13.178 1.00 0.00 H new ATOM 0 HD2 HIS A 70 27.244 -3.034 10.453 1.00 0.00 H new ATOM 0 HE1 HIS A 70 23.272 -4.296 11.247 1.00 0.00 H new ATOM 0 HE2 HIS A 70 25.456 -4.893 10.080 1.00 0.00 H new ATOM 1023 N ALA A 71 25.725 2.838 11.595 1.00 0.00 N ATOM 1024 CA ALA A 71 25.901 4.107 12.290 1.00 0.00 C ATOM 1025 C ALA A 71 24.624 4.939 12.246 1.00 0.00 C ATOM 1026 O ALA A 71 23.980 5.159 13.271 1.00 0.00 O ATOM 1027 CB ALA A 71 27.061 4.883 11.685 1.00 0.00 C ATOM 0 H ALA A 71 25.501 2.927 10.604 1.00 0.00 H new ATOM 0 HA ALA A 71 26.127 3.893 13.335 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.181 5.829 12.214 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.976 4.298 11.775 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.858 5.079 10.632 1.00 0.00 H new ATOM 1033 N GLN A 72 24.264 5.399 11.052 1.00 0.00 N ATOM 1034 CA GLN A 72 23.065 6.209 10.875 1.00 0.00 C ATOM 1035 C GLN A 72 22.222 5.687 9.716 1.00 0.00 C ATOM 1036 O GLN A 72 22.752 5.183 8.725 1.00 0.00 O ATOM 1037 CB GLN A 72 23.442 7.671 10.629 1.00 0.00 C ATOM 1038 CG GLN A 72 23.542 8.496 11.902 1.00 0.00 C ATOM 1039 CD GLN A 72 22.390 8.242 12.854 1.00 0.00 C ATOM 1040 OE1 GLN A 72 21.351 8.899 12.779 1.00 0.00 O ATOM 1041 NE2 GLN A 72 22.567 7.285 13.757 1.00 0.00 N ATOM 0 H GLN A 72 24.786 5.224 10.193 1.00 0.00 H new ATOM 0 HA GLN A 72 22.475 6.143 11.789 1.00 0.00 H new ATOM 0 HB2 GLN A 72 24.398 7.708 10.106 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.700 8.123 9.970 1.00 0.00 H new ATOM 0 HG2 GLN A 72 24.481 8.268 12.405 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.568 9.555 11.643 1.00 0.00 H new ATOM 0 HE21 GLN A 72 23.444 6.765 13.784 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.826 7.070 14.424 1.00 0.00 H new ATOM 1050 N THR A 73 20.904 5.810 9.847 1.00 0.00 N ATOM 1051 CA THR A 73 19.988 5.349 8.812 1.00 0.00 C ATOM 1052 C THR A 73 18.800 6.294 8.669 1.00 0.00 C ATOM 1053 O THR A 73 18.419 6.975 9.622 1.00 0.00 O ATOM 1054 CB THR A 73 19.468 3.931 9.112 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.074 3.286 7.896 1.00 0.00 O ATOM 1056 CG2 THR A 73 18.288 3.979 10.072 1.00 0.00 C ATOM 0 H THR A 73 20.448 6.225 10.660 1.00 0.00 H new ATOM 0 HA THR A 73 20.550 5.331 7.878 1.00 0.00 H new ATOM 0 HB THR A 73 20.273 3.364 9.579 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.746 2.384 8.095 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.938 2.966 10.269 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.599 4.444 11.008 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.481 4.562 9.628 1.00 0.00 H new ATOM 1064 N ILE A 74 18.218 6.330 7.475 1.00 0.00 N ATOM 1065 CA ILE A 74 17.072 7.190 7.210 1.00 0.00 C ATOM 1066 C ILE A 74 16.031 6.473 6.357 1.00 0.00 C ATOM 1067 O ILE A 74 16.302 6.089 5.219 1.00 0.00 O ATOM 1068 CB ILE A 74 17.495 8.489 6.498 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.557 9.224 7.319 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.287 9.383 6.263 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.402 10.176 6.502 1.00 0.00 C ATOM 0 H ILE A 74 18.522 5.773 6.676 1.00 0.00 H new ATOM 0 HA ILE A 74 16.636 7.440 8.177 1.00 0.00 H new ATOM 0 HB ILE A 74 17.925 8.231 5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.066 9.781 8.117 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.208 8.491 7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.603 10.296 5.759 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.561 8.858 5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.830 9.636 7.220 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.133 10.661 7.149 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.921 9.622 5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.762 10.932 6.047 1.00 0.00 H new ATOM 1083 N LYS A 75 14.838 6.295 6.914 1.00 0.00 N ATOM 1084 CA LYS A 75 13.754 5.626 6.205 1.00 0.00 C ATOM 1085 C LYS A 75 12.787 6.643 5.606 1.00 0.00 C ATOM 1086 O LYS A 75 12.189 7.443 6.325 1.00 0.00 O ATOM 1087 CB LYS A 75 13.002 4.686 7.150 1.00 0.00 C ATOM 1088 CG LYS A 75 13.831 3.502 7.617 1.00 0.00 C ATOM 1089 CD LYS A 75 13.067 2.644 8.612 1.00 0.00 C ATOM 1090 CE LYS A 75 13.907 1.473 9.098 1.00 0.00 C ATOM 1091 NZ LYS A 75 13.847 0.320 8.158 1.00 0.00 N ATOM 0 H LYS A 75 14.597 6.605 7.855 1.00 0.00 H new ATOM 0 HA LYS A 75 14.189 5.043 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.668 5.251 8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.108 4.317 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.118 2.896 6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.752 3.860 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.764 3.254 9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.155 2.271 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.942 1.793 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.557 1.159 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.709 -0.559 8.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.054 0.451 7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.737 0.262 7.622 1.00 0.00 H new ATOM 1105 N VAL A 76 12.637 6.604 4.286 1.00 0.00 N ATOM 1106 CA VAL A 76 11.741 7.520 3.591 1.00 0.00 C ATOM 1107 C VAL A 76 10.737 6.760 2.732 1.00 0.00 C ATOM 1108 O VAL A 76 10.898 5.566 2.480 1.00 0.00 O ATOM 1109 CB VAL A 76 12.523 8.502 2.699 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.376 9.432 3.549 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.381 7.744 1.698 1.00 0.00 C ATOM 0 H VAL A 76 13.125 5.948 3.676 1.00 0.00 H new ATOM 0 HA VAL A 76 11.208 8.083 4.357 1.00 0.00 H new ATOM 0 HB VAL A 76 11.809 9.110 2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.921 10.119 2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.734 10.000 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.084 8.844 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.927 8.453 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.089 7.110 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.743 7.124 1.068 1.00 0.00 H new ATOM 1121 N ASP A 77 9.700 7.460 2.284 1.00 0.00 N ATOM 1122 CA ASP A 77 8.669 6.852 1.451 1.00 0.00 C ATOM 1123 C ASP A 77 9.276 6.251 0.187 1.00 0.00 C ATOM 1124 O ASP A 77 10.436 6.505 -0.138 1.00 0.00 O ATOM 1125 CB ASP A 77 7.607 7.888 1.079 1.00 0.00 C ATOM 1126 CG ASP A 77 6.885 8.439 2.293 1.00 0.00 C ATOM 1127 OD1 ASP A 77 6.270 7.640 3.030 1.00 0.00 O ATOM 1128 OD2 ASP A 77 6.935 9.669 2.505 1.00 0.00 O ATOM 0 H ASP A 77 9.551 8.449 2.484 1.00 0.00 H new ATOM 0 HA ASP A 77 8.200 6.052 2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.078 8.708 0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.882 7.434 0.404 1.00 0.00 H new ATOM 1133 N TYR A 78 8.485 5.452 -0.521 1.00 0.00 N ATOM 1134 CA TYR A 78 8.946 4.812 -1.747 1.00 0.00 C ATOM 1135 C TYR A 78 9.108 5.834 -2.868 1.00 0.00 C ATOM 1136 O TYR A 78 10.104 5.829 -3.591 1.00 0.00 O ATOM 1137 CB TYR A 78 7.966 3.719 -2.176 1.00 0.00 C ATOM 1138 CG TYR A 78 6.571 4.232 -2.455 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.639 4.359 -1.432 1.00 0.00 C ATOM 1140 CD2 TYR A 78 6.186 4.591 -3.741 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.363 4.827 -1.683 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.913 5.061 -4.000 1.00 0.00 C ATOM 1143 CZ TYR A 78 4.005 5.176 -2.968 1.00 0.00 C ATOM 1144 OH TYR A 78 2.736 5.644 -3.221 1.00 0.00 O ATOM 0 H TYR A 78 7.522 5.232 -0.267 1.00 0.00 H new ATOM 0 HA TYR A 78 9.918 4.361 -1.548 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.350 3.229 -3.071 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.916 2.961 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.916 4.087 -0.424 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.894 4.501 -4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.650 4.919 -0.877 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.630 5.337 -5.005 1.00 0.00 H new ATOM 0 HH TYR A 78 2.646 5.846 -4.176 1.00 0.00 H new ATOM 1154 N LYS A 79 8.119 6.712 -3.006 1.00 0.00 N ATOM 1155 CA LYS A 79 8.150 7.743 -4.037 1.00 0.00 C ATOM 1156 C LYS A 79 9.548 8.336 -4.171 1.00 0.00 C ATOM 1157 O LYS A 79 10.039 8.546 -5.280 1.00 0.00 O ATOM 1158 CB LYS A 79 7.144 8.849 -3.710 1.00 0.00 C ATOM 1159 CG LYS A 79 5.711 8.357 -3.608 1.00 0.00 C ATOM 1160 CD LYS A 79 4.839 9.335 -2.839 1.00 0.00 C ATOM 1161 CE LYS A 79 3.710 8.622 -2.110 1.00 0.00 C ATOM 1162 NZ LYS A 79 4.140 8.125 -0.774 1.00 0.00 N ATOM 0 H LYS A 79 7.287 6.730 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 79 7.878 7.282 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.426 9.318 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.201 9.619 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.303 8.213 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.693 7.386 -3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.450 9.881 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.422 10.071 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.868 9.303 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.360 7.785 -2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.411 8.353 -0.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.274 7.094 -0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.036 8.580 -0.506 1.00 0.00 H new ATOM 1176 N GLN A 80 10.185 8.603 -3.036 1.00 0.00 N ATOM 1177 CA GLN A 80 11.528 9.172 -3.028 1.00 0.00 C ATOM 1178 C GLN A 80 12.472 8.349 -3.899 1.00 0.00 C ATOM 1179 O GLN A 80 12.737 7.181 -3.612 1.00 0.00 O ATOM 1180 CB GLN A 80 12.066 9.244 -1.598 1.00 0.00 C ATOM 1181 CG GLN A 80 11.472 10.380 -0.781 1.00 0.00 C ATOM 1182 CD GLN A 80 11.408 11.683 -1.554 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.422 12.352 -1.751 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.211 12.050 -1.997 1.00 0.00 N ATOM 0 H GLN A 80 9.793 8.435 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 80 11.471 10.180 -3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.862 8.299 -1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.149 9.360 -1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.468 10.104 -0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.068 10.525 0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.397 11.465 -1.811 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.106 12.917 -2.524 1.00 0.00 H new ATOM 1193 N ARG A 81 12.976 8.966 -4.963 1.00 0.00 N ATOM 1194 CA ARG A 81 13.890 8.290 -5.876 1.00 0.00 C ATOM 1195 C ARG A 81 15.318 8.324 -5.340 1.00 0.00 C ATOM 1196 O ARG A 81 16.059 7.347 -5.457 1.00 0.00 O ATOM 1197 CB ARG A 81 13.837 8.941 -7.259 1.00 0.00 C ATOM 1198 CG ARG A 81 14.397 8.064 -8.367 1.00 0.00 C ATOM 1199 CD ARG A 81 15.905 8.223 -8.494 1.00 0.00 C ATOM 1200 NE ARG A 81 16.268 9.422 -9.244 1.00 0.00 N ATOM 1201 CZ ARG A 81 16.216 9.504 -10.569 1.00 0.00 C ATOM 1202 NH1 ARG A 81 15.818 8.462 -11.286 1.00 0.00 N ATOM 1203 NH2 ARG A 81 16.562 10.630 -11.179 1.00 0.00 N ATOM 0 H ARG A 81 12.767 9.932 -5.214 1.00 0.00 H new ATOM 0 HA ARG A 81 13.577 7.249 -5.960 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.803 9.192 -7.494 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.394 9.878 -7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.156 7.021 -8.164 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.922 8.323 -9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.350 8.269 -7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.321 7.346 -8.989 1.00 0.00 H new ATOM 0 HE ARG A 81 16.579 10.242 -8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.551 7.595 -10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.779 8.528 -12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.868 11.434 -10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.522 10.692 -12.196 1.00 0.00 H new ATOM 1217 N TYR A 82 15.697 9.453 -4.753 1.00 0.00 N ATOM 1218 CA TYR A 82 17.037 9.615 -4.202 1.00 0.00 C ATOM 1219 C TYR A 82 17.003 10.443 -2.921 1.00 0.00 C ATOM 1220 O TYR A 82 15.991 11.065 -2.597 1.00 0.00 O ATOM 1221 CB TYR A 82 17.956 10.281 -5.228 1.00 0.00 C ATOM 1222 CG TYR A 82 17.675 11.753 -5.428 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.610 12.176 -6.213 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.474 12.720 -4.831 1.00 0.00 C ATOM 1225 CE1 TYR A 82 16.350 13.520 -6.399 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.221 14.066 -5.010 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.158 14.461 -5.796 1.00 0.00 C ATOM 1228 OH TYR A 82 16.902 15.801 -5.977 1.00 0.00 O ATOM 0 H TYR A 82 15.095 10.270 -4.646 1.00 0.00 H new ATOM 0 HA TYR A 82 17.426 8.625 -3.963 1.00 0.00 H new ATOM 0 HB2 TYR A 82 18.991 10.157 -4.910 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.852 9.767 -6.184 1.00 0.00 H new ATOM 0 HD1 TYR A 82 15.975 11.442 -6.686 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.308 12.414 -4.216 1.00 0.00 H new ATOM 0 HE1 TYR A 82 15.518 13.832 -7.013 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.851 14.805 -4.538 1.00 0.00 H new ATOM 0 HH TYR A 82 17.563 16.330 -5.484 1.00 0.00 H new ATOM 1238 N TYR A 83 18.117 10.447 -2.196 1.00 0.00 N ATOM 1239 CA TYR A 83 18.215 11.196 -0.950 1.00 0.00 C ATOM 1240 C TYR A 83 19.568 11.893 -0.838 1.00 0.00 C ATOM 1241 O TYR A 83 20.618 11.261 -0.961 1.00 0.00 O ATOM 1242 CB TYR A 83 18.008 10.266 0.247 1.00 0.00 C ATOM 1243 CG TYR A 83 17.756 10.997 1.546 1.00 0.00 C ATOM 1244 CD1 TYR A 83 18.810 11.503 2.297 1.00 0.00 C ATOM 1245 CD2 TYR A 83 16.464 11.183 2.022 1.00 0.00 C ATOM 1246 CE1 TYR A 83 18.585 12.171 3.485 1.00 0.00 C ATOM 1247 CE2 TYR A 83 16.229 11.851 3.208 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.293 12.343 3.936 1.00 0.00 C ATOM 1249 OH TYR A 83 17.064 13.009 5.118 1.00 0.00 O ATOM 0 H TYR A 83 18.964 9.940 -2.451 1.00 0.00 H new ATOM 0 HA TYR A 83 17.434 11.956 -0.951 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.165 9.606 0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.888 9.633 0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 83 19.823 11.372 1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 83 15.629 10.799 1.455 1.00 0.00 H new ATOM 0 HE1 TYR A 83 19.416 12.556 4.057 1.00 0.00 H new ATOM 0 HE2 TYR A 83 15.218 11.987 3.563 1.00 0.00 H new ATOM 0 HH TYR A 83 16.100 13.045 5.292 1.00 0.00 H new ATOM 1259 N THR A 84 19.535 13.201 -0.604 1.00 0.00 N ATOM 1260 CA THR A 84 20.756 13.986 -0.476 1.00 0.00 C ATOM 1261 C THR A 84 21.074 14.274 0.986 1.00 0.00 C ATOM 1262 O THR A 84 20.428 15.110 1.619 1.00 0.00 O ATOM 1263 CB THR A 84 20.649 15.320 -1.239 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.401 15.072 -2.628 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.924 16.136 -1.084 1.00 0.00 C ATOM 0 H THR A 84 18.675 13.739 -0.499 1.00 0.00 H new ATOM 0 HA THR A 84 21.560 13.392 -0.909 1.00 0.00 H new ATOM 0 HB THR A 84 19.819 15.888 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.333 15.925 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.825 17.073 -1.631 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.094 16.348 -0.028 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.768 15.572 -1.481 1.00 0.00 H new ATOM 1273 N ILE A 85 22.073 13.578 1.518 1.00 0.00 N ATOM 1274 CA ILE A 85 22.477 13.762 2.907 1.00 0.00 C ATOM 1275 C ILE A 85 23.377 14.983 3.060 1.00 0.00 C ATOM 1276 O ILE A 85 24.303 15.186 2.275 1.00 0.00 O ATOM 1277 CB ILE A 85 23.215 12.522 3.446 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.377 11.263 3.218 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.529 12.695 4.925 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.164 9.979 3.366 1.00 0.00 C ATOM 0 H ILE A 85 22.617 12.882 1.009 1.00 0.00 H new ATOM 0 HA ILE A 85 21.565 13.912 3.485 1.00 0.00 H new ATOM 0 HB ILE A 85 24.155 12.413 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.548 11.255 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 85 21.943 11.301 2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.050 11.811 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.161 13.572 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.601 12.826 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.507 9.127 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 85 23.977 9.965 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.576 9.919 4.374 1.00 0.00 H new ATOM 1292 N GLU A 86 23.100 15.791 4.079 1.00 0.00 N ATOM 1293 CA GLU A 86 23.886 16.992 4.336 1.00 0.00 C ATOM 1294 C GLU A 86 24.580 16.908 5.692 1.00 0.00 C ATOM 1295 O GLU A 86 24.520 15.883 6.369 1.00 0.00 O ATOM 1296 CB GLU A 86 22.994 18.234 4.283 1.00 0.00 C ATOM 1297 CG GLU A 86 22.225 18.377 2.980 1.00 0.00 C ATOM 1298 CD GLU A 86 21.392 19.643 2.930 1.00 0.00 C ATOM 1299 OE1 GLU A 86 20.418 19.744 3.704 1.00 0.00 O ATOM 1300 OE2 GLU A 86 21.716 20.533 2.116 1.00 0.00 O ATOM 0 H GLU A 86 22.338 15.636 4.739 1.00 0.00 H new ATOM 0 HA GLU A 86 24.649 17.069 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.286 18.198 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.611 19.120 4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 86 22.927 18.375 2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.574 17.513 2.850 1.00 0.00 H new ATOM 1307 N ASN A 87 25.240 17.994 6.081 1.00 0.00 N ATOM 1308 CA ASN A 87 25.947 18.044 7.355 1.00 0.00 C ATOM 1309 C ASN A 87 26.825 16.810 7.538 1.00 0.00 C ATOM 1310 O ASN A 87 26.790 16.159 8.584 1.00 0.00 O ATOM 1311 CB ASN A 87 24.951 18.150 8.511 1.00 0.00 C ATOM 1312 CG ASN A 87 23.671 17.383 8.244 1.00 0.00 C ATOM 1313 OD1 ASN A 87 23.550 16.211 8.603 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.707 18.041 7.610 1.00 0.00 N ATOM 0 H ASN A 87 25.300 18.851 5.532 1.00 0.00 H new ATOM 0 HA ASN A 87 26.586 18.927 7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.415 17.772 9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 87 24.713 19.199 8.687 1.00 0.00 H new ATOM 0 HD21 ASN A 87 21.823 17.576 7.402 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.850 19.012 7.331 1.00 0.00 H new ATOM 1321 N LEU A 88 27.613 16.494 6.516 1.00 0.00 N ATOM 1322 CA LEU A 88 28.502 15.338 6.564 1.00 0.00 C ATOM 1323 C LEU A 88 29.960 15.776 6.655 1.00 0.00 C ATOM 1324 O LEU A 88 30.260 16.970 6.667 1.00 0.00 O ATOM 1325 CB LEU A 88 28.297 14.462 5.327 1.00 0.00 C ATOM 1326 CG LEU A 88 26.954 13.737 5.233 1.00 0.00 C ATOM 1327 CD1 LEU A 88 26.707 13.253 3.812 1.00 0.00 C ATOM 1328 CD2 LEU A 88 26.905 12.573 6.211 1.00 0.00 C ATOM 0 H LEU A 88 27.655 17.022 5.644 1.00 0.00 H new ATOM 0 HA LEU A 88 28.259 14.760 7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.413 15.086 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.092 13.717 5.298 1.00 0.00 H new ATOM 0 HG LEU A 88 26.165 14.440 5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 88 25.747 12.739 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 88 26.696 14.106 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 88 27.501 12.566 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.942 12.069 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 88 27.704 11.869 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.035 12.946 7.227 1.00 0.00 H new ATOM 1340 N ASP A 89 30.862 14.803 6.717 1.00 0.00 N ATOM 1341 CA ASP A 89 32.289 15.087 6.804 1.00 0.00 C ATOM 1342 C ASP A 89 33.004 14.681 5.518 1.00 0.00 C ATOM 1343 O ASP A 89 32.952 13.528 5.089 1.00 0.00 O ATOM 1344 CB ASP A 89 32.906 14.356 7.997 1.00 0.00 C ATOM 1345 CG ASP A 89 32.375 14.864 9.324 1.00 0.00 C ATOM 1346 OD1 ASP A 89 31.984 16.048 9.393 1.00 0.00 O ATOM 1347 OD2 ASP A 89 32.351 14.076 10.293 1.00 0.00 O ATOM 0 H ASP A 89 30.630 13.810 6.709 1.00 0.00 H new ATOM 0 HA ASP A 89 32.412 16.161 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.701 13.289 7.911 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.989 14.476 7.972 1.00 0.00 H new ATOM 1352 N PRO A 90 33.685 15.649 4.888 1.00 0.00 N ATOM 1353 CA PRO A 90 34.422 15.416 3.643 1.00 0.00 C ATOM 1354 C PRO A 90 35.658 14.548 3.854 1.00 0.00 C ATOM 1355 O PRO A 90 35.942 14.118 4.972 1.00 0.00 O ATOM 1356 CB PRO A 90 34.827 16.825 3.201 1.00 0.00 C ATOM 1357 CG PRO A 90 34.861 17.621 4.460 1.00 0.00 C ATOM 1358 CD PRO A 90 33.789 17.046 5.343 1.00 0.00 C ATOM 0 HA PRO A 90 33.821 14.880 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.799 16.821 2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.111 17.238 2.490 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.838 17.553 4.938 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.677 18.676 4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.061 17.106 6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.845 17.578 5.227 1.00 0.00 H new ATOM 1366 N SER A 91 36.390 14.296 2.774 1.00 0.00 N ATOM 1367 CA SER A 91 37.594 13.476 2.841 1.00 0.00 C ATOM 1368 C SER A 91 37.371 12.254 3.726 1.00 0.00 C ATOM 1369 O SER A 91 38.246 11.867 4.501 1.00 0.00 O ATOM 1370 CB SER A 91 38.768 14.299 3.375 1.00 0.00 C ATOM 1371 OG SER A 91 38.369 15.102 4.473 1.00 0.00 O ATOM 0 H SER A 91 36.171 14.648 1.842 1.00 0.00 H new ATOM 0 HA SER A 91 37.827 13.135 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 91 39.574 13.632 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 91 39.163 14.933 2.581 1.00 0.00 H new ATOM 0 HG SER A 91 37.678 14.634 4.987 1.00 0.00 H new ATOM 1377 N SER A 92 36.193 11.650 3.604 1.00 0.00 N ATOM 1378 CA SER A 92 35.852 10.474 4.395 1.00 0.00 C ATOM 1379 C SER A 92 34.999 9.502 3.584 1.00 0.00 C ATOM 1380 O SER A 92 34.038 9.902 2.927 1.00 0.00 O ATOM 1381 CB SER A 92 35.106 10.886 5.666 1.00 0.00 C ATOM 1382 OG SER A 92 36.012 11.184 6.714 1.00 0.00 O ATOM 0 H SER A 92 35.459 11.956 2.965 1.00 0.00 H new ATOM 0 HA SER A 92 36.779 9.973 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.484 11.757 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 92 34.438 10.083 5.976 1.00 0.00 H new ATOM 0 HG SER A 92 36.875 11.451 6.334 1.00 0.00 H new ATOM 1388 N HIS A 93 35.358 8.224 3.637 1.00 0.00 N ATOM 1389 CA HIS A 93 34.626 7.194 2.908 1.00 0.00 C ATOM 1390 C HIS A 93 33.361 6.791 3.660 1.00 0.00 C ATOM 1391 O HIS A 93 33.421 6.377 4.818 1.00 0.00 O ATOM 1392 CB HIS A 93 35.513 5.968 2.686 1.00 0.00 C ATOM 1393 CG HIS A 93 34.743 4.712 2.419 1.00 0.00 C ATOM 1394 ND1 HIS A 93 34.937 3.546 3.130 1.00 0.00 N ATOM 1395 CD2 HIS A 93 33.773 4.443 1.515 1.00 0.00 C ATOM 1396 CE1 HIS A 93 34.119 2.614 2.673 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.402 3.133 1.693 1.00 0.00 N ATOM 0 H HIS A 93 36.151 7.876 4.177 1.00 0.00 H new ATOM 0 HA HIS A 93 34.337 7.605 1.940 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.181 6.160 1.846 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.140 5.820 3.565 1.00 0.00 H new ATOM 0 HD1 HIS A 93 35.607 3.422 3.889 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.366 5.131 0.788 1.00 0.00 H new ATOM 0 HE1 HIS A 93 34.049 1.600 3.039 1.00 0.00 H new ATOM 1406 N TYR A 94 32.218 6.915 2.994 1.00 0.00 N ATOM 1407 CA TYR A 94 30.939 6.568 3.601 1.00 0.00 C ATOM 1408 C TYR A 94 30.307 5.373 2.893 1.00 0.00 C ATOM 1409 O TYR A 94 30.190 5.353 1.668 1.00 0.00 O ATOM 1410 CB TYR A 94 29.987 7.764 3.555 1.00 0.00 C ATOM 1411 CG TYR A 94 30.154 8.716 4.717 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.162 9.672 4.719 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.302 8.660 5.814 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.319 10.543 5.779 1.00 0.00 C ATOM 1415 CE2 TYR A 94 29.450 9.529 6.878 1.00 0.00 C ATOM 1416 CZ TYR A 94 30.460 10.468 6.856 1.00 0.00 C ATOM 1417 OH TYR A 94 30.612 11.335 7.914 1.00 0.00 O ATOM 0 H TYR A 94 32.151 7.253 2.034 1.00 0.00 H new ATOM 0 HA TYR A 94 31.121 6.297 4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.146 8.309 2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 94 28.960 7.400 3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 94 31.835 9.735 3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 94 28.511 7.925 5.835 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.110 11.279 5.765 1.00 0.00 H new ATOM 0 HE2 TYR A 94 28.779 9.473 7.722 1.00 0.00 H new ATOM 0 HH TYR A 94 29.926 11.151 8.589 1.00 0.00 H new ATOM 1427 N VAL A 95 29.901 4.377 3.674 1.00 0.00 N ATOM 1428 CA VAL A 95 29.280 3.178 3.125 1.00 0.00 C ATOM 1429 C VAL A 95 27.760 3.256 3.216 1.00 0.00 C ATOM 1430 O VAL A 95 27.187 3.144 4.301 1.00 0.00 O ATOM 1431 CB VAL A 95 29.763 1.910 3.854 1.00 0.00 C ATOM 1432 CG1 VAL A 95 29.121 0.670 3.251 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.280 1.813 3.803 1.00 0.00 C ATOM 0 H VAL A 95 29.991 4.377 4.690 1.00 0.00 H new ATOM 0 HA VAL A 95 29.576 3.120 2.078 1.00 0.00 H new ATOM 0 HB VAL A 95 29.460 1.975 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.474 -0.216 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 95 28.037 0.740 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.391 0.596 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.605 0.912 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.607 1.771 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.717 2.687 4.286 1.00 0.00 H new ATOM 1443 N ILE A 96 27.113 3.448 2.072 1.00 0.00 N ATOM 1444 CA ILE A 96 25.659 3.539 2.023 1.00 0.00 C ATOM 1445 C ILE A 96 25.033 2.181 1.721 1.00 0.00 C ATOM 1446 O ILE A 96 25.550 1.413 0.909 1.00 0.00 O ATOM 1447 CB ILE A 96 25.194 4.553 0.962 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.733 5.948 1.286 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.675 4.573 0.878 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.222 6.087 1.060 1.00 0.00 C ATOM 0 H ILE A 96 27.572 3.544 1.166 1.00 0.00 H new ATOM 0 HA ILE A 96 25.331 3.877 3.006 1.00 0.00 H new ATOM 0 HB ILE A 96 25.588 4.248 -0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.210 6.682 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.508 6.183 2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.362 5.295 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.313 3.582 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.261 4.857 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.535 7.101 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 96 27.754 5.377 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.452 5.884 0.014 1.00 0.00 H new ATOM 1462 N THR A 97 23.915 1.891 2.380 1.00 0.00 N ATOM 1463 CA THR A 97 23.217 0.627 2.182 1.00 0.00 C ATOM 1464 C THR A 97 21.717 0.846 2.027 1.00 0.00 C ATOM 1465 O THR A 97 21.084 1.496 2.860 1.00 0.00 O ATOM 1466 CB THR A 97 23.465 -0.340 3.355 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.246 0.333 4.600 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.882 -0.891 3.313 1.00 0.00 C ATOM 0 H THR A 97 23.474 2.515 3.056 1.00 0.00 H new ATOM 0 HA THR A 97 23.613 0.186 1.267 1.00 0.00 H new ATOM 0 HB THR A 97 22.766 -1.172 3.264 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.650 1.225 4.565 1.00 0.00 H new ATOM 0 HG21 THR A 97 25.033 -1.571 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.036 -1.429 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.594 -0.069 3.380 1.00 0.00 H new ATOM 1476 N LEU A 98 21.152 0.299 0.956 1.00 0.00 N ATOM 1477 CA LEU A 98 19.724 0.434 0.691 1.00 0.00 C ATOM 1478 C LEU A 98 19.040 -0.930 0.686 1.00 0.00 C ATOM 1479 O LEU A 98 19.591 -1.911 0.186 1.00 0.00 O ATOM 1480 CB LEU A 98 19.498 1.136 -0.649 1.00 0.00 C ATOM 1481 CG LEU A 98 18.041 1.289 -1.089 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.445 2.568 -0.522 1.00 0.00 C ATOM 1483 CD2 LEU A 98 17.938 1.278 -2.607 1.00 0.00 C ATOM 0 H LEU A 98 21.661 -0.242 0.257 1.00 0.00 H new ATOM 0 HA LEU A 98 19.287 1.036 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.947 2.128 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.034 0.583 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 98 17.473 0.444 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.408 2.661 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.484 2.536 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 98 18.015 3.425 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.894 1.388 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.520 2.104 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.326 0.335 -2.991 1.00 0.00 H new ATOM 1495 N LYS A 99 17.835 -0.984 1.242 1.00 0.00 N ATOM 1496 CA LYS A 99 17.073 -2.225 1.300 1.00 0.00 C ATOM 1497 C LYS A 99 15.577 -1.952 1.181 1.00 0.00 C ATOM 1498 O LYS A 99 15.057 -1.018 1.792 1.00 0.00 O ATOM 1499 CB LYS A 99 17.365 -2.968 2.606 1.00 0.00 C ATOM 1500 CG LYS A 99 16.770 -2.297 3.832 1.00 0.00 C ATOM 1501 CD LYS A 99 16.817 -3.211 5.045 1.00 0.00 C ATOM 1502 CE LYS A 99 18.187 -3.192 5.705 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.171 -3.859 7.036 1.00 0.00 N ATOM 0 H LYS A 99 17.364 -0.181 1.660 1.00 0.00 H new ATOM 0 HA LYS A 99 17.378 -2.848 0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.975 -3.983 2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.444 -3.050 2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.316 -1.378 4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.737 -2.014 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.061 -2.900 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.571 -4.229 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.909 -3.690 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.521 -2.161 5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.146 -4.068 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.725 -3.230 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.631 -4.745 6.974 1.00 0.00 H new ATOM 1517 N ALA A 100 14.890 -2.772 0.393 1.00 0.00 N ATOM 1518 CA ALA A 100 13.454 -2.620 0.199 1.00 0.00 C ATOM 1519 C ALA A 100 12.672 -3.371 1.271 1.00 0.00 C ATOM 1520 O ALA A 100 12.927 -4.547 1.531 1.00 0.00 O ATOM 1521 CB ALA A 100 13.054 -3.107 -1.187 1.00 0.00 C ATOM 0 H ALA A 100 15.305 -3.549 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 100 13.211 -1.561 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.979 -2.988 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.579 -2.523 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.318 -4.159 -1.293 1.00 0.00 H new ATOM 1527 N PHE A 101 11.718 -2.684 1.892 1.00 0.00 N ATOM 1528 CA PHE A 101 10.900 -3.286 2.938 1.00 0.00 C ATOM 1529 C PHE A 101 9.440 -2.866 2.795 1.00 0.00 C ATOM 1530 O PHE A 101 9.142 -1.723 2.451 1.00 0.00 O ATOM 1531 CB PHE A 101 11.424 -2.886 4.318 1.00 0.00 C ATOM 1532 CG PHE A 101 11.006 -1.508 4.743 1.00 0.00 C ATOM 1533 CD1 PHE A 101 11.752 -0.399 4.375 1.00 0.00 C ATOM 1534 CD2 PHE A 101 9.867 -1.320 5.508 1.00 0.00 C ATOM 1535 CE1 PHE A 101 11.370 0.870 4.765 1.00 0.00 C ATOM 1536 CE2 PHE A 101 9.479 -0.052 5.901 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.231 1.044 5.527 1.00 0.00 C ATOM 0 H PHE A 101 11.493 -1.710 1.689 1.00 0.00 H new ATOM 0 HA PHE A 101 10.961 -4.369 2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.071 -3.607 5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.513 -2.942 4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.642 -0.529 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.274 -2.174 5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.962 1.726 4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.590 0.081 6.499 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.929 2.036 5.830 1.00 0.00 H new ATOM 1547 N ASN A 102 8.533 -3.801 3.062 1.00 0.00 N ATOM 1548 CA ASN A 102 7.103 -3.529 2.962 1.00 0.00 C ATOM 1549 C ASN A 102 6.388 -3.898 4.258 1.00 0.00 C ATOM 1550 O ASN A 102 7.022 -4.273 5.244 1.00 0.00 O ATOM 1551 CB ASN A 102 6.496 -4.306 1.793 1.00 0.00 C ATOM 1552 CG ASN A 102 6.342 -5.784 2.098 1.00 0.00 C ATOM 1553 OD1 ASN A 102 6.822 -6.271 3.122 1.00 0.00 O ATOM 1554 ND2 ASN A 102 5.670 -6.505 1.208 1.00 0.00 N ATOM 0 H ASN A 102 8.763 -4.753 3.349 1.00 0.00 H new ATOM 0 HA ASN A 102 6.972 -2.461 2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.521 -3.885 1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.127 -4.183 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.534 -7.505 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.290 -6.059 0.373 1.00 0.00 H new ATOM 1561 N ASN A 103 5.064 -3.788 4.249 1.00 0.00 N ATOM 1562 CA ASN A 103 4.261 -4.110 5.424 1.00 0.00 C ATOM 1563 C ASN A 103 4.731 -5.413 6.063 1.00 0.00 C ATOM 1564 O ASN A 103 4.589 -5.611 7.270 1.00 0.00 O ATOM 1565 CB ASN A 103 2.783 -4.219 5.043 1.00 0.00 C ATOM 1566 CG ASN A 103 1.882 -4.345 6.256 1.00 0.00 C ATOM 1567 OD1 ASN A 103 1.324 -5.410 6.521 1.00 0.00 O ATOM 1568 ND2 ASN A 103 1.736 -3.254 7.000 1.00 0.00 N ATOM 0 H ASN A 103 4.524 -3.478 3.441 1.00 0.00 H new ATOM 0 HA ASN A 103 4.384 -3.306 6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.493 -3.340 4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.640 -5.084 4.396 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.142 -3.278 7.829 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.218 -2.393 6.742 1.00 0.00 H new ATOM 1575 N VAL A 104 5.293 -6.298 5.246 1.00 0.00 N ATOM 1576 CA VAL A 104 5.786 -7.581 5.731 1.00 0.00 C ATOM 1577 C VAL A 104 7.131 -7.424 6.431 1.00 0.00 C ATOM 1578 O VAL A 104 7.322 -7.906 7.547 1.00 0.00 O ATOM 1579 CB VAL A 104 5.933 -8.597 4.582 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.149 -9.998 5.133 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.713 -8.554 3.674 1.00 0.00 C ATOM 0 H VAL A 104 5.418 -6.150 4.245 1.00 0.00 H new ATOM 0 HA VAL A 104 5.050 -7.954 6.444 1.00 0.00 H new ATOM 0 HB VAL A 104 6.807 -8.327 3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.251 -10.702 4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.055 -10.015 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.296 -10.282 5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.834 -9.278 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.821 -8.799 4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.609 -7.555 3.252 1.00 0.00 H new ATOM 1591 N GLY A 105 8.062 -6.745 5.767 1.00 0.00 N ATOM 1592 CA GLY A 105 9.379 -6.536 6.341 1.00 0.00 C ATOM 1593 C GLY A 105 10.416 -6.177 5.297 1.00 0.00 C ATOM 1594 O GLY A 105 10.084 -5.964 4.131 1.00 0.00 O ATOM 0 H GLY A 105 7.928 -6.336 4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.326 -5.741 7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.692 -7.440 6.863 1.00 0.00 H new ATOM 1598 N GLU A 106 11.676 -6.107 5.715 1.00 0.00 N ATOM 1599 CA GLU A 106 12.765 -5.768 4.806 1.00 0.00 C ATOM 1600 C GLU A 106 13.450 -7.028 4.284 1.00 0.00 C ATOM 1601 O GLU A 106 13.309 -8.107 4.857 1.00 0.00 O ATOM 1602 CB GLU A 106 13.787 -4.874 5.511 1.00 0.00 C ATOM 1603 CG GLU A 106 14.408 -5.512 6.742 1.00 0.00 C ATOM 1604 CD GLU A 106 15.463 -6.545 6.394 1.00 0.00 C ATOM 1605 OE1 GLU A 106 16.449 -6.183 5.720 1.00 0.00 O ATOM 1606 OE2 GLU A 106 15.301 -7.716 6.797 1.00 0.00 O ATOM 0 H GLU A 106 11.968 -6.280 6.677 1.00 0.00 H new ATOM 0 HA GLU A 106 12.343 -5.227 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.579 -4.617 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.303 -3.942 5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.856 -4.736 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.625 -5.983 7.336 1.00 0.00 H new ATOM 1613 N GLY A 107 14.191 -6.881 3.190 1.00 0.00 N ATOM 1614 CA GLY A 107 14.886 -8.014 2.607 1.00 0.00 C ATOM 1615 C GLY A 107 16.387 -7.938 2.807 1.00 0.00 C ATOM 1616 O GLY A 107 16.864 -7.836 3.937 1.00 0.00 O ATOM 0 H GLY A 107 14.322 -5.998 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.509 -8.935 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.666 -8.062 1.540 1.00 0.00 H new ATOM 1620 N ILE A 108 17.131 -7.991 1.708 1.00 0.00 N ATOM 1621 CA ILE A 108 18.586 -7.929 1.768 1.00 0.00 C ATOM 1622 C ILE A 108 19.101 -6.588 1.256 1.00 0.00 C ATOM 1623 O ILE A 108 18.854 -6.194 0.116 1.00 0.00 O ATOM 1624 CB ILE A 108 19.233 -9.061 0.947 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.309 -9.481 -0.198 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.550 -10.249 1.842 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.240 -10.467 0.218 1.00 0.00 C ATOM 0 H ILE A 108 16.751 -8.077 0.765 1.00 0.00 H new ATOM 0 HA ILE A 108 18.863 -8.047 2.816 1.00 0.00 H new ATOM 0 HB ILE A 108 20.166 -8.694 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.831 -8.593 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.908 -9.922 -0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 108 20.007 -11.041 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 108 20.241 -9.940 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.630 -10.620 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.623 -10.720 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.710 -11.371 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.616 -10.022 0.993 1.00 0.00 H new ATOM 1639 N PRO A 109 19.835 -5.868 2.117 1.00 0.00 N ATOM 1640 CA PRO A 109 20.402 -4.561 1.774 1.00 0.00 C ATOM 1641 C PRO A 109 21.528 -4.668 0.752 1.00 0.00 C ATOM 1642 O PRO A 109 21.988 -5.765 0.432 1.00 0.00 O ATOM 1643 CB PRO A 109 20.941 -4.046 3.111 1.00 0.00 C ATOM 1644 CG PRO A 109 21.210 -5.274 3.910 1.00 0.00 C ATOM 1645 CD PRO A 109 20.169 -6.276 3.493 1.00 0.00 C ATOM 0 HA PRO A 109 19.663 -3.904 1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.848 -3.458 2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.216 -3.401 3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.214 -5.652 3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.146 -5.066 4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.555 -7.295 3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.296 -6.244 4.145 1.00 0.00 H new ATOM 1653 N LEU A 110 21.970 -3.523 0.243 1.00 0.00 N ATOM 1654 CA LEU A 110 23.043 -3.488 -0.744 1.00 0.00 C ATOM 1655 C LEU A 110 24.299 -2.850 -0.159 1.00 0.00 C ATOM 1656 O LEU A 110 24.275 -2.306 0.945 1.00 0.00 O ATOM 1657 CB LEU A 110 22.596 -2.715 -1.986 1.00 0.00 C ATOM 1658 CG LEU A 110 21.572 -3.416 -2.880 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.811 -2.400 -3.717 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.257 -4.440 -3.773 1.00 0.00 C ATOM 0 H LEU A 110 21.602 -2.607 0.498 1.00 0.00 H new ATOM 0 HA LEU A 110 23.276 -4.514 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.176 -1.762 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.478 -2.489 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 110 20.858 -3.939 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.087 -2.917 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.289 -1.705 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.511 -1.849 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.514 -4.929 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.993 -3.939 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.756 -5.186 -3.155 1.00 0.00 H new ATOM 1672 N TYR A 111 25.395 -2.918 -0.908 1.00 0.00 N ATOM 1673 CA TYR A 111 26.661 -2.347 -0.464 1.00 0.00 C ATOM 1674 C TYR A 111 27.244 -1.422 -1.527 1.00 0.00 C ATOM 1675 O TYR A 111 27.539 -1.849 -2.643 1.00 0.00 O ATOM 1676 CB TYR A 111 27.659 -3.460 -0.137 1.00 0.00 C ATOM 1677 CG TYR A 111 27.501 -4.025 1.256 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.326 -4.657 1.642 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.529 -3.927 2.187 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.177 -5.173 2.915 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.389 -4.442 3.461 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.212 -5.064 3.820 1.00 0.00 C ATOM 1683 OH TYR A 111 27.068 -5.579 5.088 1.00 0.00 O ATOM 0 H TYR A 111 25.432 -3.363 -1.825 1.00 0.00 H new ATOM 0 HA TYR A 111 26.471 -1.762 0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.542 -4.266 -0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.672 -3.073 -0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.515 -4.747 0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.452 -3.440 1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.255 -5.659 3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.197 -4.358 4.172 1.00 0.00 H new ATOM 0 HH TYR A 111 27.888 -5.421 5.601 1.00 0.00 H new ATOM 1693 N GLU A 112 27.408 -0.151 -1.171 1.00 0.00 N ATOM 1694 CA GLU A 112 27.955 0.835 -2.095 1.00 0.00 C ATOM 1695 C GLU A 112 29.134 1.574 -1.466 1.00 0.00 C ATOM 1696 O GLU A 112 29.517 1.299 -0.329 1.00 0.00 O ATOM 1697 CB GLU A 112 26.874 1.836 -2.507 1.00 0.00 C ATOM 1698 CG GLU A 112 26.100 1.420 -3.747 1.00 0.00 C ATOM 1699 CD GLU A 112 26.982 1.308 -4.975 1.00 0.00 C ATOM 1700 OE1 GLU A 112 28.200 1.560 -4.855 1.00 0.00 O ATOM 1701 OE2 GLU A 112 26.456 0.969 -6.055 1.00 0.00 O ATOM 0 H GLU A 112 27.170 0.219 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 112 28.309 0.308 -2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.176 1.965 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.338 2.806 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.616 0.461 -3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.309 2.145 -3.937 1.00 0.00 H new ATOM 1708 N SER A 113 29.704 2.512 -2.215 1.00 0.00 N ATOM 1709 CA SER A 113 30.842 3.287 -1.734 1.00 0.00 C ATOM 1710 C SER A 113 30.743 4.738 -2.194 1.00 0.00 C ATOM 1711 O SER A 113 30.185 5.029 -3.251 1.00 0.00 O ATOM 1712 CB SER A 113 32.152 2.671 -2.229 1.00 0.00 C ATOM 1713 OG SER A 113 32.152 2.537 -3.639 1.00 0.00 O ATOM 0 H SER A 113 29.397 2.754 -3.157 1.00 0.00 H new ATOM 0 HA SER A 113 30.829 3.267 -0.644 1.00 0.00 H new ATOM 0 HB2 SER A 113 32.990 3.295 -1.920 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.295 1.694 -1.768 1.00 0.00 H new ATOM 0 HG SER A 113 33.001 2.143 -3.930 1.00 0.00 H new ATOM 1719 N ALA A 114 31.291 5.645 -1.391 1.00 0.00 N ATOM 1720 CA ALA A 114 31.267 7.066 -1.715 1.00 0.00 C ATOM 1721 C ALA A 114 32.318 7.829 -0.917 1.00 0.00 C ATOM 1722 O ALA A 114 32.203 7.974 0.301 1.00 0.00 O ATOM 1723 CB ALA A 114 29.883 7.644 -1.457 1.00 0.00 C ATOM 0 H ALA A 114 31.757 5.421 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 114 31.502 7.175 -2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 114 29.880 8.706 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.151 7.126 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.625 7.515 -0.406 1.00 0.00 H new ATOM 1729 N VAL A 115 33.344 8.315 -1.609 1.00 0.00 N ATOM 1730 CA VAL A 115 34.416 9.064 -0.964 1.00 0.00 C ATOM 1731 C VAL A 115 34.232 10.564 -1.159 1.00 0.00 C ATOM 1732 O VAL A 115 34.431 11.089 -2.256 1.00 0.00 O ATOM 1733 CB VAL A 115 35.796 8.651 -1.510 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.896 9.476 -0.860 1.00 0.00 C ATOM 1735 CG2 VAL A 115 36.032 7.164 -1.289 1.00 0.00 C ATOM 0 H VAL A 115 33.455 8.203 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 115 34.370 8.831 0.100 1.00 0.00 H new ATOM 0 HB VAL A 115 35.816 8.844 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.864 9.170 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.733 10.532 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.881 9.317 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 115 37.011 6.889 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 115 35.993 6.944 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.261 6.592 -1.806 1.00 0.00 H new ATOM 1745 N THR A 116 33.851 11.253 -0.088 1.00 0.00 N ATOM 1746 CA THR A 116 33.640 12.694 -0.140 1.00 0.00 C ATOM 1747 C THR A 116 34.939 13.429 -0.450 1.00 0.00 C ATOM 1748 O THR A 116 35.960 13.208 0.203 1.00 0.00 O ATOM 1749 CB THR A 116 33.066 13.227 1.186 1.00 0.00 C ATOM 1750 OG1 THR A 116 33.887 12.803 2.280 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.641 12.736 1.394 1.00 0.00 C ATOM 0 H THR A 116 33.682 10.835 0.827 1.00 0.00 H new ATOM 0 HA THR A 116 32.921 12.879 -0.938 1.00 0.00 H new ATOM 0 HB THR A 116 33.055 14.316 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.725 11.854 2.462 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.256 13.125 2.337 1.00 0.00 H new ATOM 0 HG22 THR A 116 31.013 13.084 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.632 11.646 1.420 1.00 0.00 H new ATOM 1759 N ARG A 117 34.895 14.305 -1.449 1.00 0.00 N ATOM 1760 CA ARG A 117 36.069 15.072 -1.845 1.00 0.00 C ATOM 1761 C ARG A 117 36.552 15.957 -0.700 1.00 0.00 C ATOM 1762 O ARG A 117 35.790 16.333 0.191 1.00 0.00 O ATOM 1763 CB ARG A 117 35.753 15.932 -3.070 1.00 0.00 C ATOM 1764 CG ARG A 117 35.623 15.135 -4.357 1.00 0.00 C ATOM 1765 CD ARG A 117 35.385 16.043 -5.554 1.00 0.00 C ATOM 1766 NE ARG A 117 36.613 16.700 -5.993 1.00 0.00 N ATOM 1767 CZ ARG A 117 36.632 17.764 -6.789 1.00 0.00 C ATOM 1768 NH1 ARG A 117 35.496 18.288 -7.228 1.00 0.00 N ATOM 1769 NH2 ARG A 117 37.790 18.307 -7.145 1.00 0.00 N ATOM 0 H ARG A 117 34.058 14.501 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 117 36.863 14.369 -2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 117 34.824 16.474 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 117 36.539 16.678 -3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 117 36.529 14.550 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 117 34.799 14.427 -4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 117 34.972 15.459 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 117 34.642 16.798 -5.295 1.00 0.00 H new ATOM 0 HE ARG A 117 37.504 16.322 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 117 34.604 17.874 -6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 117 35.514 19.105 -7.839 1.00 0.00 H new ATOM 0 HH21 ARG A 117 38.666 17.908 -6.808 1.00 0.00 H new ATOM 0 HH22 ARG A 117 37.804 19.124 -7.756 1.00 0.00 H new ATOM 1783 N PRO A 118 37.850 16.297 -0.721 1.00 0.00 N ATOM 1784 CA PRO A 118 38.463 17.141 0.308 1.00 0.00 C ATOM 1785 C PRO A 118 37.982 18.587 0.236 1.00 0.00 C ATOM 1786 O PRO A 118 38.188 19.270 -0.768 1.00 0.00 O ATOM 1787 CB PRO A 118 39.958 17.059 -0.011 1.00 0.00 C ATOM 1788 CG PRO A 118 40.019 16.742 -1.465 1.00 0.00 C ATOM 1789 CD PRO A 118 38.817 15.885 -1.752 1.00 0.00 C ATOM 0 HA PRO A 118 38.208 16.807 1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 118 40.462 18.000 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.448 16.287 0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 118 40.001 17.652 -2.064 1.00 0.00 H new ATOM 0 HG3 PRO A 118 40.941 16.216 -1.712 1.00 0.00 H new ATOM 0 HD2 PRO A 118 38.431 16.058 -2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 118 39.054 14.824 -1.680 1.00 0.00 H new ATOM 1797 N HIS A 119 37.341 19.047 1.305 1.00 0.00 N ATOM 1798 CA HIS A 119 36.831 20.412 1.363 1.00 0.00 C ATOM 1799 C HIS A 119 37.975 21.421 1.313 1.00 0.00 C ATOM 1800 O HIS A 119 38.496 21.838 2.348 1.00 0.00 O ATOM 1801 CB HIS A 119 36.008 20.619 2.635 1.00 0.00 C ATOM 1802 CG HIS A 119 35.261 21.916 2.660 1.00 0.00 C ATOM 1803 ND1 HIS A 119 35.781 23.094 2.168 1.00 0.00 N ATOM 1804 CD2 HIS A 119 34.024 22.216 3.121 1.00 0.00 C ATOM 1805 CE1 HIS A 119 34.898 24.064 2.327 1.00 0.00 C ATOM 1806 NE2 HIS A 119 33.822 23.557 2.902 1.00 0.00 N ATOM 0 H HIS A 119 37.162 18.494 2.143 1.00 0.00 H new ATOM 0 HA HIS A 119 36.190 20.571 0.496 1.00 0.00 H new ATOM 0 HB2 HIS A 119 35.298 19.798 2.736 1.00 0.00 H new ATOM 0 HB3 HIS A 119 36.672 20.575 3.499 1.00 0.00 H new ATOM 0 HD2 HIS A 119 33.326 21.529 3.576 1.00 0.00 H new ATOM 0 HE1 HIS A 119 35.033 25.095 2.036 1.00 0.00 H new ATOM 0 HE2 HIS A 119 32.978 24.077 3.144 1.00 0.00 H new ATOM 1815 N THR A 120 38.361 21.811 0.102 1.00 0.00 N ATOM 1816 CA THR A 120 39.444 22.769 -0.083 1.00 0.00 C ATOM 1817 C THR A 120 38.915 24.102 -0.599 1.00 0.00 C ATOM 1818 O THR A 120 38.661 24.260 -1.793 1.00 0.00 O ATOM 1819 CB THR A 120 40.504 22.236 -1.065 1.00 0.00 C ATOM 1820 OG1 THR A 120 39.905 21.973 -2.338 1.00 0.00 O ATOM 1821 CG2 THR A 120 41.147 20.965 -0.529 1.00 0.00 C ATOM 0 H THR A 120 37.940 21.478 -0.765 1.00 0.00 H new ATOM 0 HA THR A 120 39.906 22.917 0.893 1.00 0.00 H new ATOM 0 HB THR A 120 41.277 22.996 -1.178 1.00 0.00 H new ATOM 0 HG1 THR A 120 39.217 22.646 -2.521 1.00 0.00 H new ATOM 0 HG21 THR A 120 41.892 20.607 -1.239 1.00 0.00 H new ATOM 0 HG22 THR A 120 41.628 21.175 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 120 40.382 20.201 -0.390 1.00 0.00 H new ATOM 1829 N SER A 121 38.752 25.060 0.308 1.00 0.00 N ATOM 1830 CA SER A 121 38.251 26.380 -0.056 1.00 0.00 C ATOM 1831 C SER A 121 36.966 26.268 -0.871 1.00 0.00 C ATOM 1832 O SER A 121 36.778 26.981 -1.856 1.00 0.00 O ATOM 1833 CB SER A 121 39.308 27.149 -0.851 1.00 0.00 C ATOM 1834 OG SER A 121 40.396 27.523 -0.024 1.00 0.00 O ATOM 0 H SER A 121 38.960 24.947 1.300 1.00 0.00 H new ATOM 0 HA SER A 121 38.031 26.924 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 121 39.668 26.532 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 121 38.860 28.039 -1.292 1.00 0.00 H new ATOM 0 HG SER A 121 41.058 28.011 -0.556 1.00 0.00 H new ATOM 1840 N GLY A 122 36.084 25.365 -0.453 1.00 0.00 N ATOM 1841 CA GLY A 122 34.829 25.174 -1.155 1.00 0.00 C ATOM 1842 C GLY A 122 35.000 25.174 -2.661 1.00 0.00 C ATOM 1843 O GLY A 122 36.071 24.867 -3.185 1.00 0.00 O ATOM 0 H GLY A 122 36.217 24.763 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 122 34.382 24.230 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 122 34.134 25.964 -0.872 1.00 0.00 H new ATOM 1847 N PRO A 123 33.926 25.524 -3.383 1.00 0.00 N ATOM 1848 CA PRO A 123 33.937 25.570 -4.848 1.00 0.00 C ATOM 1849 C PRO A 123 34.792 26.713 -5.386 1.00 0.00 C ATOM 1850 O PRO A 123 34.873 26.925 -6.596 1.00 0.00 O ATOM 1851 CB PRO A 123 32.465 25.789 -5.208 1.00 0.00 C ATOM 1852 CG PRO A 123 31.878 26.456 -4.012 1.00 0.00 C ATOM 1853 CD PRO A 123 32.617 25.902 -2.825 1.00 0.00 C ATOM 0 HA PRO A 123 34.366 24.666 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 123 32.363 26.410 -6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 123 31.964 24.844 -5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 123 31.993 27.538 -4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 123 30.810 26.253 -3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 123 32.717 26.644 -2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 123 32.101 25.044 -2.395 1.00 0.00 H new ATOM 1861 N SER A 124 35.428 27.447 -4.478 1.00 0.00 N ATOM 1862 CA SER A 124 36.275 28.571 -4.862 1.00 0.00 C ATOM 1863 C SER A 124 37.716 28.118 -5.072 1.00 0.00 C ATOM 1864 O SER A 124 38.372 27.646 -4.144 1.00 0.00 O ATOM 1865 CB SER A 124 36.223 29.664 -3.792 1.00 0.00 C ATOM 1866 OG SER A 124 36.965 30.803 -4.191 1.00 0.00 O ATOM 0 H SER A 124 35.373 27.284 -3.473 1.00 0.00 H new ATOM 0 HA SER A 124 35.898 28.974 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 124 35.187 29.947 -3.607 1.00 0.00 H new ATOM 0 HB3 SER A 124 36.620 29.278 -2.853 1.00 0.00 H new ATOM 0 HG SER A 124 36.915 31.488 -3.492 1.00 0.00 H new ATOM 1872 N SER A 125 38.203 28.266 -6.301 1.00 0.00 N ATOM 1873 CA SER A 125 39.565 27.869 -6.636 1.00 0.00 C ATOM 1874 C SER A 125 40.426 29.090 -6.946 1.00 0.00 C ATOM 1875 O SER A 125 39.943 30.083 -7.487 1.00 0.00 O ATOM 1876 CB SER A 125 39.561 26.917 -7.834 1.00 0.00 C ATOM 1877 OG SER A 125 40.672 26.037 -7.790 1.00 0.00 O ATOM 0 H SER A 125 37.674 28.658 -7.080 1.00 0.00 H new ATOM 0 HA SER A 125 39.990 27.355 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 125 38.636 26.340 -7.841 1.00 0.00 H new ATOM 0 HB3 SER A 125 39.585 27.492 -8.760 1.00 0.00 H new ATOM 0 HG SER A 125 40.646 25.438 -8.565 1.00 0.00 H new ATOM 1883 N GLY A 126 41.706 29.007 -6.597 1.00 0.00 N ATOM 1884 CA GLY A 126 42.615 30.111 -6.844 1.00 0.00 C ATOM 1885 C GLY A 126 41.942 31.461 -6.695 1.00 0.00 C ATOM 1886 O GLY A 126 42.607 32.497 -6.698 1.00 0.00 O ATOM 0 H GLY A 126 42.130 28.195 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 126 43.454 30.048 -6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 126 43.025 30.022 -7.850 1.00 0.00 H new TER 1890 GLY A 126