USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 966 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 77 GLN : amide:sc= 0.231 X(o=0.44,f=0) USER MOD Set 1.2: A 79 SER OG : rot -160:sc= 0.214 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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= -0.118 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 86:sc= 0.142 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 142:sc= 0.15 USER MOD Single : A 29 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.1!) USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0.302 (180deg=0.302) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -140:sc= -0.751 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.048) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 56 SER OG : rot 103:sc= 1.19 USER MOD Single : A 57 GLN : amide:sc= -0.784 X(o=-0.78,f=-1.1) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0011 USER MOD Single : A 60 CYS SG : rot 9:sc= -1.08 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.713 K(o=-0.71,f=-7.5!) USER MOD Single : A 71 TYR OH : rot 30:sc=-0.00745 USER MOD Single : A 73 HIS :FLIP no HD1:sc= 0.0309 F(o=-0.74,f=0.031) USER MOD Single : A 82 ASN :FLIP amide:sc= 0.831 F(o=-0.02,f=0.83) USER MOD Single : A 87 SER OG : rot 180:sc= -0.127 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 92 HIS : no HD1:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 93 THR OG1 : rot 69:sc= 0.552 USER MOD Single : A 96 GLN : amide:sc= -7.9! C(o=-7.9!,f=-15!) USER MOD Single : A 100 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-6.6!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -125:sc= -1.23 (180deg=-2.88) USER MOD Single : A 112 TYR OH : rot -114:sc= 0.396 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 163:sc= -0.0175 (180deg=-0.217) USER MOD Single : A 123 SER OG : rot 180:sc= -0.87 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= -0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.809 36.282 -8.301 1.00 0.00 N ATOM 2 CA GLY A 1 -10.806 35.541 -7.551 1.00 0.00 C ATOM 3 C GLY A 1 -10.302 34.185 -7.097 1.00 0.00 C ATOM 4 O GLY A 1 -9.492 34.094 -6.175 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.203 37.201 -8.588 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.970 36.435 -7.706 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.539 35.742 -9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.108 36.123 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.694 35.407 -8.168 1.00 0.00 H new ATOM 8 N SER A 2 -10.782 33.129 -7.746 1.00 0.00 N ATOM 9 CA SER A 2 -10.379 31.771 -7.400 1.00 0.00 C ATOM 10 C SER A 2 -8.860 31.629 -7.438 1.00 0.00 C ATOM 11 O SER A 2 -8.156 32.508 -7.935 1.00 0.00 O ATOM 12 CB SER A 2 -11.020 30.766 -8.359 1.00 0.00 C ATOM 13 OG SER A 2 -10.483 30.892 -9.664 1.00 0.00 O ATOM 0 H SER A 2 -11.450 33.188 -8.514 1.00 0.00 H new ATOM 0 HA SER A 2 -10.721 31.564 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.857 29.753 -7.991 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.098 30.924 -8.389 1.00 0.00 H new ATOM 0 HG SER A 2 -10.908 30.238 -10.257 1.00 0.00 H new ATOM 19 N SER A 3 -8.362 30.516 -6.908 1.00 0.00 N ATOM 20 CA SER A 3 -6.927 30.260 -6.877 1.00 0.00 C ATOM 21 C SER A 3 -6.497 29.432 -8.084 1.00 0.00 C ATOM 22 O SER A 3 -7.307 29.115 -8.954 1.00 0.00 O ATOM 23 CB SER A 3 -6.545 29.535 -5.585 1.00 0.00 C ATOM 24 OG SER A 3 -6.778 30.354 -4.453 1.00 0.00 O ATOM 0 H SER A 3 -8.931 29.778 -6.494 1.00 0.00 H new ATOM 0 HA SER A 3 -6.411 31.219 -6.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.122 28.614 -5.497 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.494 29.250 -5.621 1.00 0.00 H new ATOM 0 HG SER A 3 -6.528 29.867 -3.640 1.00 0.00 H new ATOM 30 N GLY A 4 -5.214 29.086 -8.130 1.00 0.00 N ATOM 31 CA GLY A 4 -4.697 28.299 -9.234 1.00 0.00 C ATOM 32 C GLY A 4 -3.189 28.149 -9.183 1.00 0.00 C ATOM 33 O GLY A 4 -2.675 27.054 -8.955 1.00 0.00 O ATOM 0 H GLY A 4 -4.524 29.337 -7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.158 27.311 -9.219 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.981 28.769 -10.176 1.00 0.00 H new ATOM 37 N SER A 5 -2.479 29.252 -9.397 1.00 0.00 N ATOM 38 CA SER A 5 -1.021 29.237 -9.380 1.00 0.00 C ATOM 39 C SER A 5 -0.496 29.042 -7.961 1.00 0.00 C ATOM 40 O SER A 5 0.345 28.179 -7.711 1.00 0.00 O ATOM 41 CB SER A 5 -0.470 30.538 -9.966 1.00 0.00 C ATOM 42 OG SER A 5 -0.901 31.659 -9.214 1.00 0.00 O ATOM 0 H SER A 5 -2.889 30.167 -9.584 1.00 0.00 H new ATOM 0 HA SER A 5 -0.684 28.400 -9.991 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.619 30.502 -9.979 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.798 30.642 -11.000 1.00 0.00 H new ATOM 0 HG SER A 5 -0.534 32.478 -9.608 1.00 0.00 H new ATOM 48 N SER A 6 -1.000 29.852 -7.035 1.00 0.00 N ATOM 49 CA SER A 6 -0.580 29.773 -5.640 1.00 0.00 C ATOM 50 C SER A 6 -1.123 28.509 -4.980 1.00 0.00 C ATOM 51 O SER A 6 -0.369 27.595 -4.649 1.00 0.00 O ATOM 52 CB SER A 6 -1.055 31.007 -4.872 1.00 0.00 C ATOM 53 OG SER A 6 -0.398 32.177 -5.329 1.00 0.00 O ATOM 0 H SER A 6 -1.699 30.570 -7.225 1.00 0.00 H new ATOM 0 HA SER A 6 0.509 29.736 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.132 31.121 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.865 30.872 -3.807 1.00 0.00 H new ATOM 0 HG SER A 6 -0.721 32.952 -4.823 1.00 0.00 H new ATOM 59 N GLY A 7 -2.439 28.465 -4.792 1.00 0.00 N ATOM 60 CA GLY A 7 -3.062 27.310 -4.173 1.00 0.00 C ATOM 61 C GLY A 7 -3.125 27.426 -2.663 1.00 0.00 C ATOM 62 O GLY A 7 -4.056 28.017 -2.118 1.00 0.00 O ATOM 0 H GLY A 7 -3.084 29.209 -5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.071 27.190 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.505 26.412 -4.443 1.00 0.00 H new ATOM 66 N GLU A 8 -2.131 26.858 -1.985 1.00 0.00 N ATOM 67 CA GLU A 8 -2.080 26.898 -0.529 1.00 0.00 C ATOM 68 C GLU A 8 -0.659 27.170 -0.042 1.00 0.00 C ATOM 69 O GLU A 8 0.313 26.830 -0.714 1.00 0.00 O ATOM 70 CB GLU A 8 -2.589 25.580 0.059 1.00 0.00 C ATOM 71 CG GLU A 8 -2.978 25.677 1.524 1.00 0.00 C ATOM 72 CD GLU A 8 -3.933 24.578 1.948 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.523 23.398 1.936 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.090 24.898 2.291 1.00 0.00 O ATOM 0 H GLU A 8 -1.352 26.366 -2.421 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.724 27.710 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.452 25.245 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.816 24.819 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.079 25.629 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.440 26.647 1.710 1.00 0.00 H new ATOM 81 N GLU A 9 -0.550 27.786 1.131 1.00 0.00 N ATOM 82 CA GLU A 9 0.751 28.105 1.707 1.00 0.00 C ATOM 83 C GLU A 9 1.187 27.027 2.696 1.00 0.00 C ATOM 84 O GLU A 9 2.363 26.670 2.763 1.00 0.00 O ATOM 85 CB GLU A 9 0.705 29.465 2.407 1.00 0.00 C ATOM 86 CG GLU A 9 0.367 30.617 1.475 1.00 0.00 C ATOM 87 CD GLU A 9 -0.169 31.827 2.215 1.00 0.00 C ATOM 88 OE1 GLU A 9 -1.394 31.881 2.454 1.00 0.00 O ATOM 89 OE2 GLU A 9 0.635 32.720 2.554 1.00 0.00 O ATOM 0 H GLU A 9 -1.346 28.074 1.700 1.00 0.00 H new ATOM 0 HA GLU A 9 1.478 28.146 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.034 29.428 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.671 29.657 2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.259 30.902 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.372 30.285 0.746 1.00 0.00 H new ATOM 96 N ASP A 10 0.231 26.514 3.462 1.00 0.00 N ATOM 97 CA ASP A 10 0.514 25.477 4.447 1.00 0.00 C ATOM 98 C ASP A 10 -0.018 24.125 3.982 1.00 0.00 C ATOM 99 O ASP A 10 -1.104 24.039 3.408 1.00 0.00 O ATOM 100 CB ASP A 10 -0.102 25.845 5.798 1.00 0.00 C ATOM 101 CG ASP A 10 0.667 25.256 6.965 1.00 0.00 C ATOM 102 OD1 ASP A 10 1.895 25.475 7.038 1.00 0.00 O ATOM 103 OD2 ASP A 10 0.042 24.577 7.805 1.00 0.00 O ATOM 0 H ASP A 10 -0.747 26.800 3.420 1.00 0.00 H new ATOM 0 HA ASP A 10 1.596 25.402 4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.132 26.930 5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.133 25.493 5.832 1.00 0.00 H new ATOM 108 N TRP A 11 0.752 23.073 4.233 1.00 0.00 N ATOM 109 CA TRP A 11 0.358 21.726 3.839 1.00 0.00 C ATOM 110 C TRP A 11 1.111 20.678 4.653 1.00 0.00 C ATOM 111 O TRP A 11 2.338 20.600 4.598 1.00 0.00 O ATOM 112 CB TRP A 11 0.616 21.513 2.347 1.00 0.00 C ATOM 113 CG TRP A 11 -0.322 20.528 1.716 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.253 19.759 2.354 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.419 20.207 0.324 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.922 18.979 1.442 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.430 19.235 0.190 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.249 20.647 -0.822 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.786 18.697 -1.044 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.105 20.111 -2.045 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.115 19.146 -2.149 1.00 0.00 C ATOM 0 H TRP A 11 1.653 23.127 4.708 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.708 21.614 4.036 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.529 22.469 1.831 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.641 21.168 2.208 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.436 19.763 3.418 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.665 18.316 1.662 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.028 21.392 -0.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.564 17.952 -1.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.406 20.442 -2.937 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.369 18.748 -3.120 1.00 0.00 H new ATOM 132 N VAL A 12 0.368 19.875 5.407 1.00 0.00 N ATOM 133 CA VAL A 12 0.966 18.831 6.231 1.00 0.00 C ATOM 134 C VAL A 12 1.452 17.667 5.375 1.00 0.00 C ATOM 135 O VAL A 12 2.434 17.003 5.711 1.00 0.00 O ATOM 136 CB VAL A 12 -0.032 18.302 7.278 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.284 17.765 6.601 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.619 17.231 8.140 1.00 0.00 C ATOM 0 H VAL A 12 -0.649 19.927 5.465 1.00 0.00 H new ATOM 0 HA VAL A 12 1.816 19.281 6.745 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.325 19.129 7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.977 17.396 7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.760 18.563 6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.013 16.951 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.100 16.868 8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.942 16.403 7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.482 17.653 8.655 1.00 0.00 H new ATOM 148 N LEU A 13 0.759 17.423 4.268 1.00 0.00 N ATOM 149 CA LEU A 13 1.121 16.338 3.362 1.00 0.00 C ATOM 150 C LEU A 13 2.634 16.258 3.185 1.00 0.00 C ATOM 151 O LEU A 13 3.262 15.236 3.461 1.00 0.00 O ATOM 152 CB LEU A 13 0.446 16.536 2.004 1.00 0.00 C ATOM 153 CG LEU A 13 1.225 16.032 0.788 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.312 14.513 0.803 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.577 16.518 -0.500 1.00 0.00 C ATOM 0 H LEU A 13 -0.057 17.962 3.976 1.00 0.00 H new ATOM 0 HA LEU A 13 0.776 15.401 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.521 16.034 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.250 17.600 1.870 1.00 0.00 H new ATOM 0 HG LEU A 13 2.237 16.435 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.869 14.172 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.821 14.187 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.307 14.091 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.145 16.150 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.446 16.145 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.567 17.608 -0.514 1.00 0.00 H new ATOM 167 N PRO A 14 3.234 17.362 2.716 1.00 0.00 N ATOM 168 CA PRO A 14 4.681 17.443 2.495 1.00 0.00 C ATOM 169 C PRO A 14 5.468 17.451 3.801 1.00 0.00 C ATOM 170 O PRO A 14 6.603 16.978 3.855 1.00 0.00 O ATOM 171 CB PRO A 14 4.853 18.774 1.759 1.00 0.00 C ATOM 172 CG PRO A 14 3.677 19.590 2.170 1.00 0.00 C ATOM 173 CD PRO A 14 2.547 18.617 2.367 1.00 0.00 C ATOM 0 HA PRO A 14 5.058 16.582 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.788 19.261 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.876 18.629 0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.884 20.139 3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.428 20.328 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.873 18.940 3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.948 18.509 1.463 1.00 0.00 H new ATOM 181 N SER A 15 4.857 17.990 4.851 1.00 0.00 N ATOM 182 CA SER A 15 5.503 18.062 6.157 1.00 0.00 C ATOM 183 C SER A 15 5.753 16.665 6.717 1.00 0.00 C ATOM 184 O SER A 15 6.759 16.423 7.382 1.00 0.00 O ATOM 185 CB SER A 15 4.642 18.868 7.131 1.00 0.00 C ATOM 186 OG SER A 15 4.616 20.240 6.774 1.00 0.00 O ATOM 0 H SER A 15 3.916 18.383 4.823 1.00 0.00 H new ATOM 0 HA SER A 15 6.464 18.562 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.627 18.471 7.138 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.033 18.760 8.143 1.00 0.00 H new ATOM 0 HG SER A 15 3.911 20.392 6.111 1.00 0.00 H new ATOM 192 N GLU A 16 4.828 15.750 6.443 1.00 0.00 N ATOM 193 CA GLU A 16 4.948 14.378 6.920 1.00 0.00 C ATOM 194 C GLU A 16 5.912 13.580 6.047 1.00 0.00 C ATOM 195 O GLU A 16 6.846 12.953 6.546 1.00 0.00 O ATOM 196 CB GLU A 16 3.576 13.699 6.937 1.00 0.00 C ATOM 197 CG GLU A 16 2.522 14.477 7.705 1.00 0.00 C ATOM 198 CD GLU A 16 3.032 14.994 9.037 1.00 0.00 C ATOM 199 OE1 GLU A 16 3.337 14.163 9.917 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.126 16.229 9.198 1.00 0.00 O ATOM 0 H GLU A 16 3.988 15.934 5.894 1.00 0.00 H new ATOM 0 HA GLU A 16 5.344 14.407 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.236 13.559 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.676 12.707 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.183 15.317 7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.656 13.837 7.875 1.00 0.00 H new ATOM 207 N VAL A 17 5.677 13.608 4.738 1.00 0.00 N ATOM 208 CA VAL A 17 6.523 12.888 3.794 1.00 0.00 C ATOM 209 C VAL A 17 7.995 13.215 4.017 1.00 0.00 C ATOM 210 O VAL A 17 8.863 12.358 3.853 1.00 0.00 O ATOM 211 CB VAL A 17 6.149 13.221 2.338 1.00 0.00 C ATOM 212 CG1 VAL A 17 6.976 12.389 1.370 1.00 0.00 C ATOM 213 CG2 VAL A 17 4.661 13.000 2.107 1.00 0.00 C ATOM 0 H VAL A 17 4.908 14.122 4.308 1.00 0.00 H new ATOM 0 HA VAL A 17 6.359 11.825 3.969 1.00 0.00 H new ATOM 0 HB VAL A 17 6.370 14.273 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.697 12.638 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.035 12.601 1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.789 11.330 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.414 13.240 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.413 11.958 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.089 13.644 2.776 1.00 0.00 H new ATOM 223 N GLU A 18 8.269 14.461 4.390 1.00 0.00 N ATOM 224 CA GLU A 18 9.638 14.901 4.634 1.00 0.00 C ATOM 225 C GLU A 18 10.271 14.103 5.771 1.00 0.00 C ATOM 226 O GLU A 18 11.460 13.784 5.733 1.00 0.00 O ATOM 227 CB GLU A 18 9.665 16.394 4.968 1.00 0.00 C ATOM 228 CG GLU A 18 9.655 17.292 3.742 1.00 0.00 C ATOM 229 CD GLU A 18 10.847 17.055 2.835 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.892 17.704 3.047 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.734 16.220 1.913 1.00 0.00 O ATOM 0 H GLU A 18 7.562 15.183 4.530 1.00 0.00 H new ATOM 0 HA GLU A 18 10.216 14.728 3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.803 16.634 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.555 16.610 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.736 17.123 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.647 18.335 4.060 1.00 0.00 H new ATOM 238 N VAL A 19 9.469 13.786 6.782 1.00 0.00 N ATOM 239 CA VAL A 19 9.950 13.025 7.929 1.00 0.00 C ATOM 240 C VAL A 19 9.901 11.526 7.654 1.00 0.00 C ATOM 241 O VAL A 19 10.766 10.773 8.104 1.00 0.00 O ATOM 242 CB VAL A 19 9.122 13.331 9.192 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.635 12.524 10.375 1.00 0.00 C ATOM 244 CG2 VAL A 19 9.151 14.821 9.499 1.00 0.00 C ATOM 0 H VAL A 19 8.483 14.044 6.830 1.00 0.00 H new ATOM 0 HA VAL A 19 10.984 13.327 8.098 1.00 0.00 H new ATOM 0 HB VAL A 19 8.088 13.041 9.007 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.038 12.753 11.258 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.558 11.460 10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.677 12.780 10.565 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.561 15.020 10.394 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.180 15.138 9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.732 15.374 8.658 1.00 0.00 H new ATOM 254 N LEU A 20 8.886 11.099 6.912 1.00 0.00 N ATOM 255 CA LEU A 20 8.724 9.689 6.576 1.00 0.00 C ATOM 256 C LEU A 20 9.846 9.216 5.657 1.00 0.00 C ATOM 257 O LEU A 20 10.493 8.203 5.922 1.00 0.00 O ATOM 258 CB LEU A 20 7.369 9.456 5.906 1.00 0.00 C ATOM 259 CG LEU A 20 6.138 9.681 6.784 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.901 9.892 5.926 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.938 8.508 7.733 1.00 0.00 C ATOM 0 H LEU A 20 8.162 11.709 6.531 1.00 0.00 H new ATOM 0 HA LEU A 20 8.769 9.113 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.297 10.113 5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.342 8.432 5.533 1.00 0.00 H new ATOM 0 HG LEU A 20 6.299 10.580 7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.035 10.050 6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.045 10.765 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.735 9.012 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.057 8.685 8.350 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.799 7.593 7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.814 8.404 8.373 1.00 0.00 H new ATOM 273 N GLU A 21 10.073 9.958 4.577 1.00 0.00 N ATOM 274 CA GLU A 21 11.118 9.615 3.621 1.00 0.00 C ATOM 275 C GLU A 21 12.399 9.201 4.339 1.00 0.00 C ATOM 276 O GLU A 21 12.995 8.171 4.025 1.00 0.00 O ATOM 277 CB GLU A 21 11.401 10.798 2.693 1.00 0.00 C ATOM 278 CG GLU A 21 10.442 10.894 1.518 1.00 0.00 C ATOM 279 CD GLU A 21 10.881 10.051 0.337 1.00 0.00 C ATOM 280 OE1 GLU A 21 10.976 8.815 0.493 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.131 10.626 -0.743 1.00 0.00 O ATOM 0 H GLU A 21 9.547 10.800 4.343 1.00 0.00 H new ATOM 0 HA GLU A 21 10.766 8.772 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.349 11.722 3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.420 10.716 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.449 10.577 1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.359 11.935 1.206 1.00 0.00 H new ATOM 288 N SER A 22 12.816 10.012 5.306 1.00 0.00 N ATOM 289 CA SER A 22 14.029 9.733 6.068 1.00 0.00 C ATOM 290 C SER A 22 14.036 8.292 6.569 1.00 0.00 C ATOM 291 O SER A 22 15.089 7.659 6.654 1.00 0.00 O ATOM 292 CB SER A 22 14.146 10.697 7.250 1.00 0.00 C ATOM 293 OG SER A 22 15.419 10.595 7.866 1.00 0.00 O ATOM 0 H SER A 22 12.333 10.867 5.581 1.00 0.00 H new ATOM 0 HA SER A 22 14.885 9.874 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.985 11.719 6.907 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.366 10.479 7.980 1.00 0.00 H new ATOM 0 HG SER A 22 15.470 11.222 8.618 1.00 0.00 H new ATOM 299 N ILE A 23 12.855 7.781 6.899 1.00 0.00 N ATOM 300 CA ILE A 23 12.725 6.415 7.390 1.00 0.00 C ATOM 301 C ILE A 23 12.526 5.434 6.240 1.00 0.00 C ATOM 302 O ILE A 23 13.263 4.456 6.110 1.00 0.00 O ATOM 303 CB ILE A 23 11.548 6.281 8.374 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.762 7.189 9.587 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.386 4.833 8.812 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.475 7.624 10.251 1.00 0.00 C ATOM 0 H ILE A 23 11.975 8.292 6.835 1.00 0.00 H new ATOM 0 HA ILE A 23 13.653 6.177 7.911 1.00 0.00 H new ATOM 0 HB ILE A 23 10.634 6.592 7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.379 6.666 10.317 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.317 8.074 9.275 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.550 4.755 9.507 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.192 4.209 7.940 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.299 4.497 9.303 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.703 8.265 11.103 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.865 8.175 9.536 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.928 6.746 10.594 1.00 0.00 H new ATOM 318 N TYR A 24 11.527 5.702 5.407 1.00 0.00 N ATOM 319 CA TYR A 24 11.230 4.842 4.268 1.00 0.00 C ATOM 320 C TYR A 24 11.914 5.357 3.005 1.00 0.00 C ATOM 321 O TYR A 24 11.348 5.301 1.911 1.00 0.00 O ATOM 322 CB TYR A 24 9.719 4.758 4.045 1.00 0.00 C ATOM 323 CG TYR A 24 8.946 4.356 5.281 1.00 0.00 C ATOM 324 CD1 TYR A 24 9.301 3.227 6.009 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.862 5.105 5.720 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.597 2.855 7.138 1.00 0.00 C ATOM 327 CE2 TYR A 24 7.153 4.742 6.849 1.00 0.00 C ATOM 328 CZ TYR A 24 7.524 3.616 7.554 1.00 0.00 C ATOM 329 OH TYR A 24 6.821 3.250 8.679 1.00 0.00 O ATOM 0 H TYR A 24 10.909 6.508 5.499 1.00 0.00 H new ATOM 0 HA TYR A 24 11.613 3.846 4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.357 5.726 3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.517 4.040 3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.141 2.630 5.687 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.568 5.986 5.169 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.885 1.974 7.692 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.313 5.336 7.178 1.00 0.00 H new ATOM 0 HH TYR A 24 6.566 4.052 9.181 1.00 0.00 H new ATOM 339 N LEU A 25 13.134 5.857 3.163 1.00 0.00 N ATOM 340 CA LEU A 25 13.897 6.382 2.036 1.00 0.00 C ATOM 341 C LEU A 25 13.606 5.590 0.765 1.00 0.00 C ATOM 342 O LEU A 25 13.098 6.135 -0.215 1.00 0.00 O ATOM 343 CB LEU A 25 15.395 6.339 2.345 1.00 0.00 C ATOM 344 CG LEU A 25 15.956 7.536 3.115 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.378 7.256 3.574 1.00 0.00 C ATOM 346 CD2 LEU A 25 15.907 8.792 2.257 1.00 0.00 C ATOM 0 H LEU A 25 13.616 5.910 4.060 1.00 0.00 H new ATOM 0 HA LEU A 25 13.595 7.417 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.602 5.435 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.938 6.251 1.404 1.00 0.00 H new ATOM 0 HG LEU A 25 15.337 7.699 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.761 8.118 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.385 6.382 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.010 7.066 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.310 9.634 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.502 8.641 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.874 9.003 1.979 1.00 0.00 H new ATOM 358 N ASP A 26 13.930 4.302 0.789 1.00 0.00 N ATOM 359 CA ASP A 26 13.701 3.434 -0.360 1.00 0.00 C ATOM 360 C ASP A 26 12.389 2.670 -0.210 1.00 0.00 C ATOM 361 O ASP A 26 11.591 2.599 -1.144 1.00 0.00 O ATOM 362 CB ASP A 26 14.861 2.451 -0.523 1.00 0.00 C ATOM 363 CG ASP A 26 14.881 1.802 -1.893 1.00 0.00 C ATOM 364 OD1 ASP A 26 15.425 2.417 -2.833 1.00 0.00 O ATOM 365 OD2 ASP A 26 14.351 0.679 -2.025 1.00 0.00 O ATOM 0 H ASP A 26 14.352 3.836 1.592 1.00 0.00 H new ATOM 0 HA ASP A 26 13.637 4.060 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.803 2.974 -0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.788 1.677 0.241 1.00 0.00 H new ATOM 370 N GLU A 27 12.173 2.100 0.971 1.00 0.00 N ATOM 371 CA GLU A 27 10.958 1.340 1.242 1.00 0.00 C ATOM 372 C GLU A 27 9.745 2.006 0.599 1.00 0.00 C ATOM 373 O GLU A 27 8.896 1.338 0.008 1.00 0.00 O ATOM 374 CB GLU A 27 10.740 1.204 2.750 1.00 0.00 C ATOM 375 CG GLU A 27 11.907 0.558 3.478 1.00 0.00 C ATOM 376 CD GLU A 27 11.475 -0.185 4.728 1.00 0.00 C ATOM 377 OE1 GLU A 27 10.893 0.456 5.628 1.00 0.00 O ATOM 378 OE2 GLU A 27 11.720 -1.407 4.806 1.00 0.00 O ATOM 0 H GLU A 27 12.823 2.150 1.755 1.00 0.00 H new ATOM 0 HA GLU A 27 11.077 0.347 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.561 2.192 3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.841 0.614 2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.412 -0.134 2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.632 1.326 3.748 1.00 0.00 H new ATOM 385 N LEU A 28 9.670 3.327 0.720 1.00 0.00 N ATOM 386 CA LEU A 28 8.561 4.085 0.152 1.00 0.00 C ATOM 387 C LEU A 28 9.072 5.192 -0.765 1.00 0.00 C ATOM 388 O LEU A 28 10.050 5.869 -0.451 1.00 0.00 O ATOM 389 CB LEU A 28 7.704 4.686 1.267 1.00 0.00 C ATOM 390 CG LEU A 28 6.601 5.648 0.823 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.429 5.600 1.790 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.144 7.065 0.710 1.00 0.00 C ATOM 0 H LEU A 28 10.364 3.895 1.206 1.00 0.00 H new ATOM 0 HA LEU A 28 7.951 3.402 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.244 3.870 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.361 5.213 1.959 1.00 0.00 H new ATOM 0 HG LEU A 28 6.247 5.336 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.654 6.291 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.024 4.589 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.767 5.886 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.346 7.736 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.525 7.387 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.950 7.088 -0.023 1.00 0.00 H new ATOM 404 N GLN A 29 8.400 5.372 -1.898 1.00 0.00 N ATOM 405 CA GLN A 29 8.786 6.398 -2.859 1.00 0.00 C ATOM 406 C GLN A 29 7.761 7.527 -2.890 1.00 0.00 C ATOM 407 O GLN A 29 6.599 7.336 -2.530 1.00 0.00 O ATOM 408 CB GLN A 29 8.934 5.790 -4.255 1.00 0.00 C ATOM 409 CG GLN A 29 10.176 4.927 -4.413 1.00 0.00 C ATOM 410 CD GLN A 29 11.446 5.747 -4.525 1.00 0.00 C ATOM 411 OE1 GLN A 29 11.865 6.397 -3.567 1.00 0.00 O ATOM 412 NE2 GLN A 29 12.066 5.721 -5.699 1.00 0.00 N ATOM 0 H GLN A 29 7.587 4.821 -2.172 1.00 0.00 H new ATOM 0 HA GLN A 29 9.745 6.810 -2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.053 5.188 -4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.964 6.593 -4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.257 4.254 -3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.071 4.304 -5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.683 5.168 -6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.925 6.254 -5.834 1.00 0.00 H new ATOM 421 N VAL A 30 8.198 8.706 -3.323 1.00 0.00 N ATOM 422 CA VAL A 30 7.319 9.866 -3.402 1.00 0.00 C ATOM 423 C VAL A 30 7.596 10.681 -4.660 1.00 0.00 C ATOM 424 O VAL A 30 8.751 10.927 -5.010 1.00 0.00 O ATOM 425 CB VAL A 30 7.477 10.775 -2.169 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.487 11.928 -2.225 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.301 9.972 -0.889 1.00 0.00 C ATOM 0 H VAL A 30 9.156 8.882 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 30 6.298 9.487 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 30 8.484 11.192 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.614 12.559 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.666 12.518 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.471 11.534 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.416 10.630 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.307 9.525 -0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.054 9.185 -0.847 1.00 0.00 H new ATOM 437 N ILE A 31 6.531 11.098 -5.335 1.00 0.00 N ATOM 438 CA ILE A 31 6.659 11.887 -6.554 1.00 0.00 C ATOM 439 C ILE A 31 6.333 13.354 -6.296 1.00 0.00 C ATOM 440 O ILE A 31 5.185 13.709 -6.029 1.00 0.00 O ATOM 441 CB ILE A 31 5.739 11.357 -7.668 1.00 0.00 C ATOM 442 CG1 ILE A 31 5.995 9.867 -7.905 1.00 0.00 C ATOM 443 CG2 ILE A 31 5.951 12.146 -8.951 1.00 0.00 C ATOM 444 CD1 ILE A 31 7.353 9.574 -8.502 1.00 0.00 C ATOM 0 H ILE A 31 5.569 10.903 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 31 7.696 11.799 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 31 4.703 11.484 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.901 9.336 -6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.224 9.475 -8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.293 11.759 -9.729 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.724 13.197 -8.773 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.988 12.048 -9.271 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.465 8.499 -8.642 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.443 10.077 -9.465 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.131 9.935 -7.830 1.00 0.00 H new ATOM 456 N LYS A 32 7.351 14.205 -6.378 1.00 0.00 N ATOM 457 CA LYS A 32 7.173 15.635 -6.157 1.00 0.00 C ATOM 458 C LYS A 32 6.288 16.247 -7.238 1.00 0.00 C ATOM 459 O LYS A 32 6.407 15.911 -8.415 1.00 0.00 O ATOM 460 CB LYS A 32 8.531 16.341 -6.135 1.00 0.00 C ATOM 461 CG LYS A 32 9.269 16.199 -4.815 1.00 0.00 C ATOM 462 CD LYS A 32 8.651 17.070 -3.735 1.00 0.00 C ATOM 463 CE LYS A 32 9.167 16.696 -2.354 1.00 0.00 C ATOM 464 NZ LYS A 32 8.475 15.495 -1.809 1.00 0.00 N ATOM 0 H LYS A 32 8.308 13.928 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 32 6.684 15.770 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.153 15.939 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.384 17.400 -6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.251 15.156 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.315 16.473 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.876 18.117 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.566 16.967 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.239 16.505 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.026 17.536 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.867 15.263 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.458 15.692 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.616 14.691 -2.453 1.00 0.00 H new ATOM 478 N GLY A 33 5.400 17.149 -6.829 1.00 0.00 N ATOM 479 CA GLY A 33 4.509 17.794 -7.775 1.00 0.00 C ATOM 480 C GLY A 33 4.687 19.299 -7.806 1.00 0.00 C ATOM 481 O GLY A 33 4.868 19.930 -6.766 1.00 0.00 O ATOM 0 H GLY A 33 5.282 17.444 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.688 17.390 -8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.477 17.559 -7.516 1.00 0.00 H new ATOM 485 N ASN A 34 4.638 19.875 -9.003 1.00 0.00 N ATOM 486 CA ASN A 34 4.798 21.315 -9.165 1.00 0.00 C ATOM 487 C ASN A 34 3.441 22.003 -9.289 1.00 0.00 C ATOM 488 O ASN A 34 3.119 22.907 -8.519 1.00 0.00 O ATOM 489 CB ASN A 34 5.651 21.619 -10.398 1.00 0.00 C ATOM 490 CG ASN A 34 7.101 21.217 -10.212 1.00 0.00 C ATOM 491 OD1 ASN A 34 7.843 21.856 -9.466 1.00 0.00 O ATOM 492 ND2 ASN A 34 7.511 20.152 -10.891 1.00 0.00 N ATOM 0 H ASN A 34 4.489 19.366 -9.875 1.00 0.00 H new ATOM 0 HA ASN A 34 5.302 21.701 -8.279 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.239 21.094 -11.260 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.598 22.685 -10.619 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.476 19.833 -10.806 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.861 19.653 -11.498 1.00 0.00 H new ATOM 499 N GLY A 35 2.650 21.566 -10.264 1.00 0.00 N ATOM 500 CA GLY A 35 1.337 22.150 -10.471 1.00 0.00 C ATOM 501 C GLY A 35 0.268 21.485 -9.626 1.00 0.00 C ATOM 502 O GLY A 35 0.009 20.290 -9.768 1.00 0.00 O ATOM 0 H GLY A 35 2.894 20.819 -10.914 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.374 23.213 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.068 22.067 -11.524 1.00 0.00 H new ATOM 506 N ARG A 36 -0.354 22.261 -8.745 1.00 0.00 N ATOM 507 CA ARG A 36 -1.399 21.740 -7.872 1.00 0.00 C ATOM 508 C ARG A 36 -2.365 20.851 -8.651 1.00 0.00 C ATOM 509 O ARG A 36 -2.913 19.888 -8.112 1.00 0.00 O ATOM 510 CB ARG A 36 -2.165 22.890 -7.215 1.00 0.00 C ATOM 511 CG ARG A 36 -3.029 23.679 -8.185 1.00 0.00 C ATOM 512 CD ARG A 36 -4.423 23.082 -8.303 1.00 0.00 C ATOM 513 NE ARG A 36 -5.350 23.987 -8.977 1.00 0.00 N ATOM 514 CZ ARG A 36 -6.554 23.621 -9.404 1.00 0.00 C ATOM 515 NH1 ARG A 36 -6.974 22.376 -9.225 1.00 0.00 N ATOM 516 NH2 ARG A 36 -7.340 24.502 -10.009 1.00 0.00 N ATOM 0 H ARG A 36 -0.153 23.253 -8.617 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.924 21.139 -7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.797 22.489 -6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.453 23.567 -6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.102 24.714 -7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.555 23.695 -9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.370 22.142 -8.853 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.803 22.848 -7.308 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.057 24.952 -9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.373 21.697 -8.759 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.899 22.097 -9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.020 25.461 -10.147 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.264 24.221 -10.337 1.00 0.00 H new ATOM 530 N THR A 37 -2.570 21.181 -9.922 1.00 0.00 N ATOM 531 CA THR A 37 -3.470 20.415 -10.775 1.00 0.00 C ATOM 532 C THR A 37 -3.237 18.917 -10.615 1.00 0.00 C ATOM 533 O THR A 37 -4.186 18.139 -10.510 1.00 0.00 O ATOM 534 CB THR A 37 -3.297 20.793 -12.258 1.00 0.00 C ATOM 535 OG1 THR A 37 -1.923 20.664 -12.640 1.00 0.00 O ATOM 536 CG2 THR A 37 -3.767 22.218 -12.511 1.00 0.00 C ATOM 0 H THR A 37 -2.125 21.974 -10.384 1.00 0.00 H new ATOM 0 HA THR A 37 -4.485 20.658 -10.461 1.00 0.00 H new ATOM 0 HB THR A 37 -3.905 20.114 -12.856 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.822 20.905 -13.585 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.635 22.463 -13.565 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.821 22.306 -12.247 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.182 22.908 -11.902 1.00 0.00 H new ATOM 544 N SER A 38 -1.969 18.518 -10.595 1.00 0.00 N ATOM 545 CA SER A 38 -1.612 17.112 -10.450 1.00 0.00 C ATOM 546 C SER A 38 -1.301 16.778 -8.995 1.00 0.00 C ATOM 547 O SER A 38 -0.408 17.356 -8.375 1.00 0.00 O ATOM 548 CB SER A 38 -0.407 16.777 -11.331 1.00 0.00 C ATOM 549 OG SER A 38 0.091 15.481 -11.043 1.00 0.00 O ATOM 0 H SER A 38 -1.172 19.149 -10.677 1.00 0.00 H new ATOM 0 HA SER A 38 -2.464 16.511 -10.768 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.693 16.835 -12.381 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.379 17.515 -11.173 1.00 0.00 H new ATOM 0 HG SER A 38 0.860 15.290 -11.620 1.00 0.00 H new ATOM 555 N PRO A 39 -2.055 15.820 -8.434 1.00 0.00 N ATOM 556 CA PRO A 39 -1.879 15.386 -7.045 1.00 0.00 C ATOM 557 C PRO A 39 -0.578 14.619 -6.838 1.00 0.00 C ATOM 558 O PRO A 39 0.048 14.170 -7.798 1.00 0.00 O ATOM 559 CB PRO A 39 -3.083 14.472 -6.804 1.00 0.00 C ATOM 560 CG PRO A 39 -3.456 13.972 -8.157 1.00 0.00 C ATOM 561 CD PRO A 39 -3.137 15.088 -9.113 1.00 0.00 C ATOM 0 HA PRO A 39 -1.823 16.230 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.828 13.650 -6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.907 15.016 -6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.896 13.071 -8.408 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.514 13.712 -8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.817 14.707 -10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.003 15.725 -9.290 1.00 0.00 H new ATOM 569 N TRP A 40 -0.177 14.472 -5.580 1.00 0.00 N ATOM 570 CA TRP A 40 1.050 13.758 -5.248 1.00 0.00 C ATOM 571 C TRP A 40 0.901 12.264 -5.517 1.00 0.00 C ATOM 572 O TRP A 40 -0.179 11.794 -5.871 1.00 0.00 O ATOM 573 CB TRP A 40 1.419 13.990 -3.782 1.00 0.00 C ATOM 574 CG TRP A 40 1.929 15.373 -3.509 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.398 16.546 -3.963 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.073 15.724 -2.723 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.143 17.607 -3.506 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.175 17.129 -2.742 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.018 14.990 -2.003 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.186 17.811 -2.070 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.021 15.668 -1.336 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.099 17.066 -1.373 1.00 0.00 C ATOM 0 H TRP A 40 -0.684 14.838 -4.774 1.00 0.00 H new ATOM 0 HA TRP A 40 1.848 14.144 -5.882 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.543 13.804 -3.161 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.178 13.266 -3.487 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.522 16.628 -4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 40 1.958 18.590 -3.704 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.966 13.912 -1.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.248 18.889 -2.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.757 15.110 -0.777 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.895 17.566 -0.841 1.00 0.00 H new ATOM 593 N GLU A 41 1.993 11.525 -5.347 1.00 0.00 N ATOM 594 CA GLU A 41 1.981 10.084 -5.573 1.00 0.00 C ATOM 595 C GLU A 41 2.979 9.382 -4.657 1.00 0.00 C ATOM 596 O GLU A 41 4.113 9.834 -4.495 1.00 0.00 O ATOM 597 CB GLU A 41 2.307 9.772 -7.035 1.00 0.00 C ATOM 598 CG GLU A 41 1.656 8.498 -7.545 1.00 0.00 C ATOM 599 CD GLU A 41 1.482 8.494 -9.052 1.00 0.00 C ATOM 600 OE1 GLU A 41 2.251 9.196 -9.740 1.00 0.00 O ATOM 601 OE2 GLU A 41 0.575 7.788 -9.542 1.00 0.00 O ATOM 0 H GLU A 41 2.896 11.899 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 41 0.981 9.714 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.986 10.608 -7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.388 9.688 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.263 7.642 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.682 8.377 -7.070 1.00 0.00 H new ATOM 608 N ILE A 42 2.549 8.276 -4.060 1.00 0.00 N ATOM 609 CA ILE A 42 3.404 7.511 -3.161 1.00 0.00 C ATOM 610 C ILE A 42 3.267 6.014 -3.413 1.00 0.00 C ATOM 611 O ILE A 42 2.160 5.500 -3.578 1.00 0.00 O ATOM 612 CB ILE A 42 3.074 7.804 -1.685 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.281 9.288 -1.379 1.00 0.00 C ATOM 614 CG2 ILE A 42 3.932 6.943 -0.770 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.435 9.792 -0.230 1.00 0.00 C ATOM 0 H ILE A 42 1.613 7.889 -4.183 1.00 0.00 H new ATOM 0 HA ILE A 42 4.430 7.819 -3.364 1.00 0.00 H new ATOM 0 HB ILE A 42 2.027 7.558 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.332 9.460 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.051 9.870 -2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.688 7.161 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.739 5.890 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.985 7.160 -0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.634 10.852 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.380 9.652 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.681 9.236 0.674 1.00 0.00 H new ATOM 627 N TYR A 43 4.398 5.318 -3.441 1.00 0.00 N ATOM 628 CA TYR A 43 4.405 3.879 -3.674 1.00 0.00 C ATOM 629 C TYR A 43 5.071 3.143 -2.515 1.00 0.00 C ATOM 630 O TYR A 43 5.841 3.729 -1.753 1.00 0.00 O ATOM 631 CB TYR A 43 5.131 3.556 -4.981 1.00 0.00 C ATOM 632 CG TYR A 43 4.837 4.536 -6.094 1.00 0.00 C ATOM 633 CD1 TYR A 43 3.570 4.618 -6.659 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.827 5.380 -6.583 1.00 0.00 C ATOM 635 CE1 TYR A 43 3.297 5.511 -7.676 1.00 0.00 C ATOM 636 CE2 TYR A 43 5.563 6.278 -7.599 1.00 0.00 C ATOM 637 CZ TYR A 43 4.296 6.339 -8.143 1.00 0.00 C ATOM 638 OH TYR A 43 4.030 7.231 -9.156 1.00 0.00 O ATOM 0 H TYR A 43 5.322 5.727 -3.305 1.00 0.00 H new ATOM 0 HA TYR A 43 3.370 3.544 -3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.205 3.540 -4.796 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.849 2.555 -5.306 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.785 3.972 -6.296 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.820 5.333 -6.161 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.306 5.561 -8.103 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.343 6.928 -7.965 1.00 0.00 H new ATOM 0 HH TYR A 43 4.790 7.260 -9.774 1.00 0.00 H new ATOM 648 N ILE A 44 4.769 1.855 -2.389 1.00 0.00 N ATOM 649 CA ILE A 44 5.338 1.038 -1.325 1.00 0.00 C ATOM 650 C ILE A 44 4.966 -0.431 -1.501 1.00 0.00 C ATOM 651 O ILE A 44 3.816 -0.761 -1.792 1.00 0.00 O ATOM 652 CB ILE A 44 4.868 1.512 0.062 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.640 0.783 1.164 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.371 1.288 0.220 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.795 1.594 2.431 1.00 0.00 C ATOM 0 H ILE A 44 4.133 1.355 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 44 6.421 1.147 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 44 5.067 2.580 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.127 -0.150 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.628 0.517 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.054 1.628 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.836 1.849 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.149 0.226 0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.352 1.015 3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.335 2.515 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.810 1.838 2.830 1.00 0.00 H new ATOM 667 N THR A 45 5.946 -1.310 -1.320 1.00 0.00 N ATOM 668 CA THR A 45 5.722 -2.744 -1.458 1.00 0.00 C ATOM 669 C THR A 45 5.535 -3.404 -0.097 1.00 0.00 C ATOM 670 O THR A 45 6.299 -3.154 0.836 1.00 0.00 O ATOM 671 CB THR A 45 6.892 -3.427 -2.191 1.00 0.00 C ATOM 672 OG1 THR A 45 7.102 -2.807 -3.464 1.00 0.00 O ATOM 673 CG2 THR A 45 6.618 -4.911 -2.382 1.00 0.00 C ATOM 0 H THR A 45 6.903 -1.054 -1.077 1.00 0.00 H new ATOM 0 HA THR A 45 4.813 -2.867 -2.047 1.00 0.00 H new ATOM 0 HB THR A 45 7.789 -3.315 -1.581 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.849 -3.246 -3.923 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.458 -5.372 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.489 -5.385 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.711 -5.040 -2.972 1.00 0.00 H new ATOM 681 N LEU A 46 4.514 -4.248 0.010 1.00 0.00 N ATOM 682 CA LEU A 46 4.227 -4.946 1.259 1.00 0.00 C ATOM 683 C LEU A 46 3.850 -6.400 0.995 1.00 0.00 C ATOM 684 O LEU A 46 3.068 -6.696 0.090 1.00 0.00 O ATOM 685 CB LEU A 46 3.096 -4.242 2.010 1.00 0.00 C ATOM 686 CG LEU A 46 3.349 -2.783 2.391 1.00 0.00 C ATOM 687 CD1 LEU A 46 2.096 -2.162 2.988 1.00 0.00 C ATOM 688 CD2 LEU A 46 4.513 -2.681 3.367 1.00 0.00 C ATOM 0 H LEU A 46 3.872 -4.465 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 46 5.128 -4.929 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.197 -4.285 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.887 -4.803 2.921 1.00 0.00 H new ATOM 0 HG LEU A 46 3.608 -2.231 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.295 -1.124 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.287 -2.201 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.806 -2.715 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.679 -1.636 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.282 -3.247 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.413 -3.087 2.904 1.00 0.00 H new ATOM 700 N HIS A 47 4.409 -7.305 1.792 1.00 0.00 N ATOM 701 CA HIS A 47 4.129 -8.729 1.647 1.00 0.00 C ATOM 702 C HIS A 47 3.770 -9.352 2.992 1.00 0.00 C ATOM 703 O HIS A 47 4.336 -9.013 4.032 1.00 0.00 O ATOM 704 CB HIS A 47 5.336 -9.449 1.044 1.00 0.00 C ATOM 705 CG HIS A 47 6.631 -9.112 1.717 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.324 -10.006 2.506 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.360 -7.971 1.713 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.423 -9.429 2.960 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.468 -8.194 2.493 1.00 0.00 N ATOM 0 H HIS A 47 5.059 -7.078 2.545 1.00 0.00 H new ATOM 0 HA HIS A 47 3.277 -8.840 0.976 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.174 -10.525 1.104 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.409 -9.196 -0.014 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.116 -7.056 1.193 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.159 -9.889 3.603 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.206 -7.516 2.681 1.00 0.00 H new ATOM 718 N PRO A 48 2.806 -10.285 2.975 1.00 0.00 N ATOM 719 CA PRO A 48 2.349 -10.974 4.185 1.00 0.00 C ATOM 720 C PRO A 48 3.400 -11.931 4.738 1.00 0.00 C ATOM 721 O PRO A 48 4.034 -12.673 3.989 1.00 0.00 O ATOM 722 CB PRO A 48 1.118 -11.750 3.709 1.00 0.00 C ATOM 723 CG PRO A 48 1.340 -11.952 2.249 1.00 0.00 C ATOM 724 CD PRO A 48 2.087 -10.738 1.772 1.00 0.00 C ATOM 0 HA PRO A 48 2.142 -10.277 4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.024 -12.702 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.201 -11.192 3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.913 -12.861 2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.392 -12.059 1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.774 -10.982 0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.409 -9.971 1.396 1.00 0.00 H new ATOM 732 N ALA A 49 3.579 -11.908 6.055 1.00 0.00 N ATOM 733 CA ALA A 49 4.552 -12.775 6.709 1.00 0.00 C ATOM 734 C ALA A 49 3.861 -13.795 7.607 1.00 0.00 C ATOM 735 O ALA A 49 4.427 -14.245 8.604 1.00 0.00 O ATOM 736 CB ALA A 49 5.542 -11.946 7.513 1.00 0.00 C ATOM 0 H ALA A 49 3.063 -11.299 6.690 1.00 0.00 H new ATOM 0 HA ALA A 49 5.095 -13.319 5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.262 -12.607 7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.067 -11.261 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.007 -11.376 8.272 1.00 0.00 H new ATOM 742 N THR A 50 2.633 -14.157 7.249 1.00 0.00 N ATOM 743 CA THR A 50 1.864 -15.123 8.024 1.00 0.00 C ATOM 744 C THR A 50 1.565 -16.373 7.205 1.00 0.00 C ATOM 745 O THR A 50 1.560 -17.485 7.731 1.00 0.00 O ATOM 746 CB THR A 50 0.536 -14.517 8.518 1.00 0.00 C ATOM 747 OG1 THR A 50 -0.059 -15.375 9.498 1.00 0.00 O ATOM 748 CG2 THR A 50 -0.430 -14.315 7.360 1.00 0.00 C ATOM 0 H THR A 50 2.149 -13.796 6.427 1.00 0.00 H new ATOM 0 HA THR A 50 2.474 -15.394 8.885 1.00 0.00 H new ATOM 0 HB THR A 50 0.749 -13.547 8.966 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.902 -14.982 9.808 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.360 -13.886 7.733 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.014 -13.639 6.629 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.637 -15.275 6.887 1.00 0.00 H new ATOM 756 N ALA A 51 1.318 -16.183 5.913 1.00 0.00 N ATOM 757 CA ALA A 51 1.021 -17.296 5.020 1.00 0.00 C ATOM 758 C ALA A 51 1.803 -18.543 5.419 1.00 0.00 C ATOM 759 O ALA A 51 3.033 -18.556 5.372 1.00 0.00 O ATOM 760 CB ALA A 51 1.330 -16.914 3.580 1.00 0.00 C ATOM 0 H ALA A 51 1.318 -15.268 5.461 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.042 -17.524 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.104 -17.755 2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.723 -16.056 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.386 -16.658 3.490 1.00 0.00 H new ATOM 766 N GLU A 52 1.082 -19.588 5.811 1.00 0.00 N ATOM 767 CA GLU A 52 1.710 -20.839 6.220 1.00 0.00 C ATOM 768 C GLU A 52 1.883 -21.776 5.027 1.00 0.00 C ATOM 769 O GLU A 52 2.955 -22.343 4.820 1.00 0.00 O ATOM 770 CB GLU A 52 0.876 -21.525 7.304 1.00 0.00 C ATOM 771 CG GLU A 52 -0.508 -21.942 6.834 1.00 0.00 C ATOM 772 CD GLU A 52 -1.452 -22.229 7.985 1.00 0.00 C ATOM 773 OE1 GLU A 52 -1.107 -23.069 8.842 1.00 0.00 O ATOM 774 OE2 GLU A 52 -2.537 -21.612 8.030 1.00 0.00 O ATOM 0 H GLU A 52 0.063 -19.594 5.854 1.00 0.00 H new ATOM 0 HA GLU A 52 2.695 -20.606 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.411 -22.406 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.774 -20.850 8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.929 -21.153 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.423 -22.830 6.208 1.00 0.00 H new ATOM 781 N ASP A 53 0.819 -21.932 4.247 1.00 0.00 N ATOM 782 CA ASP A 53 0.852 -22.799 3.075 1.00 0.00 C ATOM 783 C ASP A 53 -0.407 -22.622 2.232 1.00 0.00 C ATOM 784 O ASP A 53 -1.506 -22.976 2.660 1.00 0.00 O ATOM 785 CB ASP A 53 0.995 -24.262 3.499 1.00 0.00 C ATOM 786 CG ASP A 53 1.325 -25.173 2.334 1.00 0.00 C ATOM 787 OD1 ASP A 53 0.893 -24.870 1.203 1.00 0.00 O ATOM 788 OD2 ASP A 53 2.016 -26.191 2.553 1.00 0.00 O ATOM 0 H ASP A 53 -0.076 -21.470 4.405 1.00 0.00 H new ATOM 0 HA ASP A 53 1.715 -22.518 2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.778 -24.344 4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.067 -24.594 3.965 1.00 0.00 H new ATOM 793 N GLN A 54 -0.239 -22.072 1.034 1.00 0.00 N ATOM 794 CA GLN A 54 -1.363 -21.846 0.133 1.00 0.00 C ATOM 795 C GLN A 54 -0.980 -22.173 -1.307 1.00 0.00 C ATOM 796 O GLN A 54 0.177 -22.475 -1.599 1.00 0.00 O ATOM 797 CB GLN A 54 -1.838 -20.395 0.230 1.00 0.00 C ATOM 798 CG GLN A 54 -2.476 -20.052 1.566 1.00 0.00 C ATOM 799 CD GLN A 54 -3.894 -20.575 1.687 1.00 0.00 C ATOM 800 OE1 GLN A 54 -4.162 -21.504 2.449 1.00 0.00 O ATOM 801 NE2 GLN A 54 -4.811 -19.979 0.934 1.00 0.00 N ATOM 0 H GLN A 54 0.664 -21.775 0.665 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.176 -22.508 0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.990 -19.732 0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.557 -20.203 -0.567 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.870 -20.467 2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.480 -18.970 1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.544 -19.212 0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.782 -20.288 0.973 1.00 0.00 H new ATOM 810 N ASP A 55 -1.960 -22.112 -2.202 1.00 0.00 N ATOM 811 CA ASP A 55 -1.726 -22.401 -3.612 1.00 0.00 C ATOM 812 C ASP A 55 -0.424 -21.764 -4.089 1.00 0.00 C ATOM 813 O ASP A 55 0.371 -22.397 -4.783 1.00 0.00 O ATOM 814 CB ASP A 55 -2.895 -21.897 -4.459 1.00 0.00 C ATOM 815 CG ASP A 55 -3.219 -20.440 -4.191 1.00 0.00 C ATOM 816 OD1 ASP A 55 -3.831 -20.152 -3.141 1.00 0.00 O ATOM 817 OD2 ASP A 55 -2.859 -19.588 -5.030 1.00 0.00 O ATOM 0 H ASP A 55 -2.924 -21.865 -1.976 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.644 -23.482 -3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.656 -22.025 -5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.776 -22.505 -4.255 1.00 0.00 H new ATOM 822 N SER A 56 -0.214 -20.506 -3.712 1.00 0.00 N ATOM 823 CA SER A 56 0.988 -19.781 -4.105 1.00 0.00 C ATOM 824 C SER A 56 1.957 -19.660 -2.933 1.00 0.00 C ATOM 825 O SER A 56 1.607 -19.133 -1.878 1.00 0.00 O ATOM 826 CB SER A 56 0.623 -18.390 -4.626 1.00 0.00 C ATOM 827 OG SER A 56 0.222 -17.538 -3.567 1.00 0.00 O ATOM 0 H SER A 56 -0.861 -19.969 -3.135 1.00 0.00 H new ATOM 0 HA SER A 56 1.477 -20.342 -4.901 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.479 -17.955 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.182 -18.471 -5.356 1.00 0.00 H new ATOM 0 HG SER A 56 0.955 -16.928 -3.343 1.00 0.00 H new ATOM 833 N GLN A 57 3.176 -20.153 -3.128 1.00 0.00 N ATOM 834 CA GLN A 57 4.196 -20.101 -2.087 1.00 0.00 C ATOM 835 C GLN A 57 4.662 -18.668 -1.853 1.00 0.00 C ATOM 836 O GLN A 57 5.354 -18.381 -0.876 1.00 0.00 O ATOM 837 CB GLN A 57 5.388 -20.982 -2.467 1.00 0.00 C ATOM 838 CG GLN A 57 5.009 -22.425 -2.759 1.00 0.00 C ATOM 839 CD GLN A 57 4.682 -22.657 -4.221 1.00 0.00 C ATOM 840 OE1 GLN A 57 3.515 -22.776 -4.597 1.00 0.00 O ATOM 841 NE2 GLN A 57 5.712 -22.723 -5.056 1.00 0.00 N ATOM 0 H GLN A 57 3.481 -20.593 -3.996 1.00 0.00 H new ATOM 0 HA GLN A 57 3.756 -20.476 -1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.877 -20.559 -3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.116 -20.963 -1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.830 -23.079 -2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.148 -22.701 -2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.663 -22.619 -4.702 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.552 -22.878 -6.051 1.00 0.00 H new ATOM 850 N TYR A 58 4.280 -17.772 -2.756 1.00 0.00 N ATOM 851 CA TYR A 58 4.661 -16.368 -2.649 1.00 0.00 C ATOM 852 C TYR A 58 3.462 -15.458 -2.896 1.00 0.00 C ATOM 853 O TYR A 58 2.420 -15.901 -3.378 1.00 0.00 O ATOM 854 CB TYR A 58 5.776 -16.044 -3.645 1.00 0.00 C ATOM 855 CG TYR A 58 5.268 -15.565 -4.987 1.00 0.00 C ATOM 856 CD1 TYR A 58 4.198 -16.193 -5.612 1.00 0.00 C ATOM 857 CD2 TYR A 58 5.858 -14.483 -5.629 1.00 0.00 C ATOM 858 CE1 TYR A 58 3.732 -15.759 -6.837 1.00 0.00 C ATOM 859 CE2 TYR A 58 5.398 -14.041 -6.854 1.00 0.00 C ATOM 860 CZ TYR A 58 4.335 -14.683 -7.454 1.00 0.00 C ATOM 861 OH TYR A 58 3.873 -14.247 -8.675 1.00 0.00 O ATOM 0 H TYR A 58 3.707 -17.993 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 58 5.025 -16.192 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.423 -15.279 -3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.389 -16.933 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.723 -17.035 -5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.691 -13.979 -5.162 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.900 -16.259 -7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.868 -13.198 -7.339 1.00 0.00 H new ATOM 0 HH TYR A 58 4.406 -13.480 -8.971 1.00 0.00 H new ATOM 871 N VAL A 59 3.618 -14.181 -2.561 1.00 0.00 N ATOM 872 CA VAL A 59 2.550 -13.206 -2.747 1.00 0.00 C ATOM 873 C VAL A 59 3.024 -11.799 -2.398 1.00 0.00 C ATOM 874 O VAL A 59 3.688 -11.590 -1.382 1.00 0.00 O ATOM 875 CB VAL A 59 1.320 -13.549 -1.886 1.00 0.00 C ATOM 876 CG1 VAL A 59 1.745 -13.929 -0.475 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.345 -12.382 -1.862 1.00 0.00 C ATOM 0 H VAL A 59 4.474 -13.798 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 59 2.269 -13.242 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 59 0.814 -14.406 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.863 -14.168 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.402 -14.798 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.275 -13.094 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.518 -12.642 -1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.838 -11.505 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.016 -12.162 -2.878 1.00 0.00 H new ATOM 887 N CYS A 60 2.678 -10.837 -3.247 1.00 0.00 N ATOM 888 CA CYS A 60 3.068 -9.449 -3.029 1.00 0.00 C ATOM 889 C CYS A 60 2.179 -8.502 -3.828 1.00 0.00 C ATOM 890 O CYS A 60 1.608 -8.884 -4.850 1.00 0.00 O ATOM 891 CB CYS A 60 4.533 -9.242 -3.418 1.00 0.00 C ATOM 892 SG CYS A 60 5.339 -7.872 -2.556 1.00 0.00 S ATOM 0 H CYS A 60 2.129 -10.993 -4.092 1.00 0.00 H new ATOM 0 HA CYS A 60 2.946 -9.226 -1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.085 -10.160 -3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.591 -9.066 -4.492 1.00 0.00 H new ATOM 0 HG CYS A 60 4.558 -7.433 -1.614 1.00 0.00 H new ATOM 898 N PHE A 61 2.063 -7.266 -3.354 1.00 0.00 N ATOM 899 CA PHE A 61 1.240 -6.265 -4.022 1.00 0.00 C ATOM 900 C PHE A 61 1.818 -4.866 -3.826 1.00 0.00 C ATOM 901 O PHE A 61 2.314 -4.532 -2.750 1.00 0.00 O ATOM 902 CB PHE A 61 -0.194 -6.315 -3.491 1.00 0.00 C ATOM 903 CG PHE A 61 -0.365 -5.637 -2.162 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.430 -4.255 -2.078 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.462 -6.381 -0.997 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.586 -3.629 -0.856 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.619 -5.759 0.228 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.682 -4.382 0.298 1.00 0.00 C ATOM 0 H PHE A 61 2.529 -6.934 -2.510 1.00 0.00 H new ATOM 0 HA PHE A 61 1.233 -6.490 -5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.858 -5.846 -4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.504 -7.356 -3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.358 -3.661 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.414 -7.459 -1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.633 -2.551 -0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.692 -6.350 1.129 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.806 -3.894 1.253 1.00 0.00 H new ATOM 918 N THR A 62 1.751 -4.053 -4.875 1.00 0.00 N ATOM 919 CA THR A 62 2.268 -2.691 -4.821 1.00 0.00 C ATOM 920 C THR A 62 1.201 -1.716 -4.336 1.00 0.00 C ATOM 921 O THR A 62 0.221 -1.455 -5.034 1.00 0.00 O ATOM 922 CB THR A 62 2.782 -2.230 -6.198 1.00 0.00 C ATOM 923 OG1 THR A 62 3.735 -3.170 -6.705 1.00 0.00 O ATOM 924 CG2 THR A 62 3.420 -0.852 -6.103 1.00 0.00 C ATOM 0 H THR A 62 1.344 -4.314 -5.773 1.00 0.00 H new ATOM 0 HA THR A 62 3.098 -2.696 -4.115 1.00 0.00 H new ATOM 0 HB THR A 62 1.933 -2.173 -6.879 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.056 -2.871 -7.581 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.776 -0.547 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.683 -0.134 -5.745 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.259 -0.887 -5.409 1.00 0.00 H new ATOM 932 N LEU A 63 1.398 -1.180 -3.137 1.00 0.00 N ATOM 933 CA LEU A 63 0.452 -0.232 -2.558 1.00 0.00 C ATOM 934 C LEU A 63 0.691 1.174 -3.099 1.00 0.00 C ATOM 935 O LEU A 63 1.731 1.781 -2.843 1.00 0.00 O ATOM 936 CB LEU A 63 0.569 -0.231 -1.033 1.00 0.00 C ATOM 937 CG LEU A 63 -0.698 0.143 -0.263 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.688 -0.489 1.120 1.00 0.00 C ATOM 939 CD2 LEU A 63 -0.833 1.655 -0.159 1.00 0.00 C ATOM 0 H LEU A 63 2.204 -1.385 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.554 -0.543 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.885 -1.224 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.360 0.463 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.559 -0.242 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.597 -0.212 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.640 -1.574 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.181 -0.135 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.740 1.902 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.032 2.062 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.887 2.085 -1.159 1.00 0.00 H new ATOM 951 N VAL A 64 -0.281 1.688 -3.846 1.00 0.00 N ATOM 952 CA VAL A 64 -0.178 3.024 -4.420 1.00 0.00 C ATOM 953 C VAL A 64 -1.185 3.975 -3.784 1.00 0.00 C ATOM 954 O VAL A 64 -2.377 3.673 -3.705 1.00 0.00 O ATOM 955 CB VAL A 64 -0.403 3.000 -5.944 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.191 4.384 -6.538 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.516 1.981 -6.602 1.00 0.00 C ATOM 0 H VAL A 64 -1.148 1.199 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 64 0.832 3.379 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.434 2.703 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.354 4.347 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.895 5.085 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.828 4.714 -6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.344 1.977 -7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.554 2.245 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.309 0.990 -6.198 1.00 0.00 H new ATOM 967 N LEU A 65 -0.700 5.126 -3.331 1.00 0.00 N ATOM 968 CA LEU A 65 -1.559 6.123 -2.701 1.00 0.00 C ATOM 969 C LEU A 65 -1.527 7.436 -3.475 1.00 0.00 C ATOM 970 O LEU A 65 -0.462 7.904 -3.877 1.00 0.00 O ATOM 971 CB LEU A 65 -1.122 6.360 -1.254 1.00 0.00 C ATOM 972 CG LEU A 65 -1.307 5.183 -0.296 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.364 5.307 0.891 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.751 5.101 0.176 1.00 0.00 C ATOM 0 H LEU A 65 0.283 5.392 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.581 5.743 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.069 6.640 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.678 7.212 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.067 4.264 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.510 4.460 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.667 5.316 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.572 6.234 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.864 4.257 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.018 6.023 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.407 4.964 -0.683 1.00 0.00 H new ATOM 986 N GLN A 66 -2.700 8.026 -3.679 1.00 0.00 N ATOM 987 CA GLN A 66 -2.805 9.287 -4.404 1.00 0.00 C ATOM 988 C GLN A 66 -3.350 10.390 -3.502 1.00 0.00 C ATOM 989 O GLN A 66 -4.555 10.471 -3.261 1.00 0.00 O ATOM 990 CB GLN A 66 -3.707 9.122 -5.629 1.00 0.00 C ATOM 991 CG GLN A 66 -2.963 8.665 -6.874 1.00 0.00 C ATOM 992 CD GLN A 66 -2.904 7.155 -6.997 1.00 0.00 C ATOM 993 OE1 GLN A 66 -2.821 6.442 -5.997 1.00 0.00 O ATOM 994 NE2 GLN A 66 -2.946 6.659 -8.228 1.00 0.00 N ATOM 0 H GLN A 66 -3.591 7.651 -3.353 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.806 9.572 -4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.491 8.400 -5.399 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.200 10.072 -5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.451 9.079 -7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.949 9.064 -6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.015 7.287 -9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.909 5.650 -8.373 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.455 11.238 -3.005 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.846 12.336 -2.130 1.00 0.00 C ATOM 1005 C VAL A 67 -3.288 13.551 -2.938 1.00 0.00 C ATOM 1006 O VAL A 67 -2.491 14.202 -3.615 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.693 12.747 -1.195 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.160 13.799 -0.201 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.133 11.530 -0.474 1.00 0.00 C ATOM 0 H VAL A 67 -1.454 11.185 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.682 11.979 -1.528 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.896 13.182 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.332 14.077 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.508 14.680 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.975 13.395 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.319 11.838 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.920 11.064 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.758 10.814 -1.206 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.590 13.867 -2.867 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.168 15.007 -3.585 1.00 0.00 C ATOM 1021 C PRO A 68 -4.711 16.345 -3.012 1.00 0.00 C ATOM 1022 O PRO A 68 -3.952 16.390 -2.045 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.674 14.826 -3.383 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.797 14.042 -2.122 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.597 13.137 -2.080 1.00 0.00 C ATOM 0 HA PRO A 68 -4.863 15.027 -4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.181 15.788 -3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.125 14.298 -4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.820 14.700 -1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.722 13.465 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.260 12.964 -1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.815 12.161 -2.513 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.179 17.432 -3.616 1.00 0.00 N ATOM 1034 CA ALA A 69 -4.821 18.771 -3.164 1.00 0.00 C ATOM 1035 C ALA A 69 -5.483 19.096 -1.829 1.00 0.00 C ATOM 1036 O ALA A 69 -4.831 19.578 -0.904 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.208 19.803 -4.212 1.00 0.00 C ATOM 0 H ALA A 69 -5.807 17.412 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.741 18.802 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.935 20.798 -3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.683 19.590 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.284 19.761 -4.384 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.783 18.829 -1.738 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.533 19.095 -0.516 1.00 0.00 C ATOM 1045 C GLU A 70 -6.784 18.573 0.706 1.00 0.00 C ATOM 1046 O GLU A 70 -6.701 19.248 1.732 1.00 0.00 O ATOM 1047 CB GLU A 70 -8.919 18.453 -0.593 1.00 0.00 C ATOM 1048 CG GLU A 70 -9.880 19.186 -1.513 1.00 0.00 C ATOM 1049 CD GLU A 70 -10.165 20.602 -1.050 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -9.289 21.473 -1.234 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -11.263 20.839 -0.504 1.00 0.00 O ATOM 0 H GLU A 70 -7.337 18.429 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.646 20.175 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.815 17.424 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.348 18.413 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.463 19.214 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.816 18.631 -1.571 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.241 17.366 0.589 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.502 16.750 1.685 1.00 0.00 C ATOM 1060 C TYR A 71 -4.848 17.811 2.564 1.00 0.00 C ATOM 1061 O TYR A 71 -4.321 18.815 2.084 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.437 15.798 1.138 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.647 15.091 2.215 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.709 15.775 2.978 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -3.839 13.739 2.471 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -1.984 15.132 3.963 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.120 13.088 3.454 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.193 13.789 4.197 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.474 13.146 5.179 1.00 0.00 O ATOM 0 H TYR A 71 -6.299 16.795 -0.254 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.208 16.184 2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.918 15.053 0.504 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.750 16.360 0.505 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.544 16.827 2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.564 13.187 1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.258 15.678 4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.282 12.037 3.640 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.251 13.782 5.891 1.00 0.00 H new ATOM 1079 N PRO A 72 -4.882 17.585 3.886 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.507 16.395 4.470 1.00 0.00 C ATOM 1081 C PRO A 72 -7.026 16.413 4.335 1.00 0.00 C ATOM 1082 O PRO A 72 -7.677 15.369 4.393 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.100 16.467 5.944 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.854 17.914 6.198 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.313 18.475 4.912 1.00 0.00 C ATOM 0 HA PRO A 72 -5.188 15.480 3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.887 16.079 6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.207 15.873 6.138 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.774 18.421 6.488 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.144 18.052 7.013 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.622 19.509 4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.223 18.463 4.895 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.586 17.605 4.154 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.029 17.758 4.010 1.00 0.00 C ATOM 1095 C HIS A 73 -9.640 16.534 3.334 1.00 0.00 C ATOM 1096 O HIS A 73 -10.673 16.026 3.767 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.351 19.016 3.202 1.00 0.00 C ATOM 1098 CG HIS A 73 -8.999 20.288 3.909 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -8.103 20.535 4.893 1.00 0.00 N flip ATOM 1100 CD2 HIS A 73 -9.600 21.497 3.627 1.00 0.00 C flip ATOM 1101 CE1 HIS A 73 -8.177 21.875 5.184 1.00 0.00 C flip ATOM 1102 NE2 HIS A 73 -9.087 22.433 4.406 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.062 18.479 4.104 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.461 17.854 5.006 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.814 18.976 2.254 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.415 19.024 2.966 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -10.369 21.654 2.886 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.587 22.389 5.928 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.349 23.419 4.406 1.00 0.00 H new ATOM 1111 N GLU A 74 -8.995 16.068 2.269 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.477 14.905 1.533 1.00 0.00 C ATOM 1113 C GLU A 74 -8.558 13.706 1.749 1.00 0.00 C ATOM 1114 O GLU A 74 -7.361 13.861 1.988 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.575 15.224 0.040 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.323 14.170 -0.759 1.00 0.00 C ATOM 1117 CD GLU A 74 -10.439 14.526 -2.229 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -11.272 15.394 -2.565 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -9.697 13.936 -3.043 1.00 0.00 O ATOM 0 H GLU A 74 -8.138 16.478 1.897 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.469 14.653 1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.074 16.185 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.570 15.331 -0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.811 13.213 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.321 14.042 -0.340 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.129 12.508 1.663 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.363 11.281 1.848 1.00 0.00 C ATOM 1128 C VAL A 75 -7.747 10.814 0.534 1.00 0.00 C ATOM 1129 O VAL A 75 -8.355 10.908 -0.533 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.241 10.153 2.421 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -9.787 10.541 3.787 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.373 9.819 1.460 1.00 0.00 C ATOM 0 H VAL A 75 -10.119 12.361 1.466 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.567 11.508 2.558 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.624 9.263 2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.405 9.731 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.959 10.725 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.389 11.445 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.984 9.020 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.990 10.704 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.957 9.494 0.506 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.512 10.298 0.610 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.786 9.805 -0.564 1.00 0.00 C ATOM 1144 C PRO A 76 -6.393 8.523 -1.124 1.00 0.00 C ATOM 1145 O PRO A 76 -6.564 7.541 -0.403 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.378 9.539 -0.025 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.570 9.292 1.431 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.728 10.156 1.849 1.00 0.00 C ATOM 0 HA PRO A 76 -5.814 10.517 -1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.922 8.679 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.720 10.391 -0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.779 8.240 1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.671 9.547 1.992 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.312 9.689 2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.393 11.122 2.226 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.716 8.541 -2.413 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.304 7.379 -3.069 1.00 0.00 C ATOM 1158 C GLN A 77 -6.366 6.178 -2.993 1.00 0.00 C ATOM 1159 O GLN A 77 -5.279 6.190 -3.572 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.624 7.699 -4.530 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.620 6.738 -5.159 1.00 0.00 C ATOM 1162 CD GLN A 77 -8.538 6.721 -6.673 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -9.139 7.557 -7.348 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -7.790 5.766 -7.215 1.00 0.00 N ATOM 0 H GLN A 77 -6.581 9.347 -3.024 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.228 7.129 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.020 8.713 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.700 7.681 -5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.440 5.733 -4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.629 7.017 -4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.309 5.094 -6.617 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.696 5.705 -8.229 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.793 5.145 -2.276 1.00 0.00 N ATOM 1174 CA ILE A 78 -5.992 3.937 -2.125 1.00 0.00 C ATOM 1175 C ILE A 78 -6.193 2.993 -3.306 1.00 0.00 C ATOM 1176 O ILE A 78 -7.323 2.693 -3.688 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.336 3.191 -0.822 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.101 4.099 0.387 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.510 1.919 -0.705 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.319 4.903 0.785 1.00 0.00 C ATOM 0 H ILE A 78 -7.690 5.120 -1.790 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.949 4.253 -2.088 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.390 2.914 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.786 3.489 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.282 4.782 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.765 1.404 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.722 1.268 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.450 2.173 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.079 5.523 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.622 5.540 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.134 4.226 1.040 1.00 0.00 H new ATOM 1192 N SER A 79 -5.087 2.526 -3.878 1.00 0.00 N ATOM 1193 CA SER A 79 -5.142 1.617 -5.017 1.00 0.00 C ATOM 1194 C SER A 79 -3.990 0.618 -4.970 1.00 0.00 C ATOM 1195 O SER A 79 -2.942 0.890 -4.384 1.00 0.00 O ATOM 1196 CB SER A 79 -5.095 2.405 -6.328 1.00 0.00 C ATOM 1197 OG SER A 79 -6.219 3.260 -6.449 1.00 0.00 O ATOM 0 H SER A 79 -4.143 2.762 -3.571 1.00 0.00 H new ATOM 0 HA SER A 79 -6.081 1.066 -4.966 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.179 2.995 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.067 1.714 -7.171 1.00 0.00 H new ATOM 0 HG SER A 79 -6.344 3.505 -7.390 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.192 -0.538 -5.592 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.171 -1.578 -5.622 1.00 0.00 C ATOM 1205 C ILE A 80 -2.798 -1.940 -7.056 1.00 0.00 C ATOM 1206 O ILE A 80 -3.666 -2.082 -7.917 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.639 -2.849 -4.889 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -4.020 -2.520 -3.444 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.553 -3.913 -4.928 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.871 -3.583 -2.786 1.00 0.00 C ATOM 0 H ILE A 80 -5.054 -0.778 -6.082 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.296 -1.176 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.521 -3.240 -5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.110 -2.381 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.558 -1.572 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.899 -4.805 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.327 -4.164 -5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.654 -3.534 -4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.103 -3.283 -1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.797 -3.706 -3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.327 -4.527 -2.772 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.501 -2.089 -7.304 1.00 0.00 N ATOM 1223 CA ARG A 81 -1.012 -2.436 -8.633 1.00 0.00 C ATOM 1224 C ARG A 81 -0.394 -3.831 -8.639 1.00 0.00 C ATOM 1225 O ARG A 81 -0.013 -4.356 -7.593 1.00 0.00 O ATOM 1226 CB ARG A 81 0.019 -1.408 -9.104 1.00 0.00 C ATOM 1227 CG ARG A 81 -0.599 -0.119 -9.621 1.00 0.00 C ATOM 1228 CD ARG A 81 0.437 0.762 -10.300 1.00 0.00 C ATOM 1229 NE ARG A 81 0.554 0.469 -11.726 1.00 0.00 N ATOM 1230 CZ ARG A 81 1.549 0.910 -12.488 1.00 0.00 C ATOM 1231 NH1 ARG A 81 2.509 1.660 -11.963 1.00 0.00 N ATOM 1232 NH2 ARG A 81 1.586 0.601 -13.778 1.00 0.00 N ATOM 0 H ARG A 81 -0.770 -1.975 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.860 -2.431 -9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.690 -1.174 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.628 -1.851 -9.892 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.397 -0.354 -10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.055 0.425 -8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.166 1.809 -10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.405 0.619 -9.820 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.168 -0.106 -12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.485 1.900 -10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.272 1.997 -12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.850 0.024 -14.186 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.350 0.940 -14.362 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.299 -4.425 -9.823 1.00 0.00 N ATOM 1247 CA ASN A 82 0.272 -5.760 -9.965 1.00 0.00 C ATOM 1248 C ASN A 82 -0.102 -6.641 -8.777 1.00 0.00 C ATOM 1249 O ASN A 82 0.751 -7.249 -8.130 1.00 0.00 O ATOM 1250 CB ASN A 82 1.794 -5.676 -10.092 1.00 0.00 C ATOM 1251 CG ASN A 82 2.385 -6.893 -10.778 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.926 -6.693 -11.974 1.00 0.00 O flip ATOM 1253 ND2 ASN A 82 2.356 -7.999 -10.238 1.00 0.00 N flip ATOM 0 H ASN A 82 -0.610 -4.004 -10.698 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.137 -6.208 -10.870 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.060 -4.781 -10.654 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.233 -5.572 -9.100 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.930 -8.106 -9.318 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.758 -8.808 -10.711 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.409 -6.712 -8.481 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.926 -7.516 -7.370 1.00 0.00 C ATOM 1262 C PRO A 83 -1.804 -9.013 -7.632 1.00 0.00 C ATOM 1263 O PRO A 83 -2.758 -9.656 -8.069 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.399 -7.105 -7.291 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.736 -6.637 -8.664 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.481 -6.013 -9.209 1.00 0.00 C ATOM 0 HA PRO A 83 -1.371 -7.343 -6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -4.028 -7.943 -6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.551 -6.315 -6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.062 -7.467 -9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.552 -5.915 -8.641 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.396 -6.157 -10.286 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.455 -4.938 -9.028 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.624 -9.562 -7.361 1.00 0.00 N ATOM 1275 CA ARG A 84 -0.378 -10.984 -7.568 1.00 0.00 C ATOM 1276 C ARG A 84 -0.293 -11.721 -6.235 1.00 0.00 C ATOM 1277 O ARG A 84 -0.055 -11.113 -5.192 1.00 0.00 O ATOM 1278 CB ARG A 84 0.916 -11.189 -8.360 1.00 0.00 C ATOM 1279 CG ARG A 84 0.910 -12.440 -9.223 1.00 0.00 C ATOM 1280 CD ARG A 84 1.999 -12.391 -10.282 1.00 0.00 C ATOM 1281 NE ARG A 84 1.686 -11.440 -11.346 1.00 0.00 N ATOM 1282 CZ ARG A 84 2.319 -11.408 -12.513 1.00 0.00 C ATOM 1283 NH1 ARG A 84 3.294 -12.271 -12.766 1.00 0.00 N ATOM 1284 NH2 ARG A 84 1.977 -10.513 -13.431 1.00 0.00 N ATOM 0 H ARG A 84 0.176 -9.044 -6.998 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.213 -11.393 -8.137 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.084 -10.320 -8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.753 -11.242 -7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.052 -13.318 -8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.062 -12.547 -9.704 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.945 -12.115 -9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.132 -13.384 -10.711 1.00 0.00 H new ATOM 0 HE ARG A 84 0.940 -10.763 -11.184 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.559 -12.961 -12.063 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.779 -12.244 -13.663 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.227 -9.848 -13.241 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.464 -10.490 -14.327 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.491 -13.035 -6.278 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.434 -13.833 -5.067 1.00 0.00 C ATOM 1300 C GLY A 85 -1.727 -13.784 -4.278 1.00 0.00 C ATOM 1301 O GLY A 85 -2.146 -14.784 -3.694 1.00 0.00 O ATOM 0 H GLY A 85 -0.690 -13.561 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.210 -14.867 -5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.384 -13.478 -4.440 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.362 -12.617 -4.258 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.616 -12.440 -3.534 1.00 0.00 C ATOM 1307 C LEU A 86 -4.809 -12.794 -4.415 1.00 0.00 C ATOM 1308 O LEU A 86 -4.649 -13.133 -5.588 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.743 -10.998 -3.039 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.735 -10.562 -1.975 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.488 -9.064 -2.056 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -3.223 -10.950 -0.587 1.00 0.00 C ATOM 0 H LEU A 86 -2.029 -11.779 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.609 -13.113 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.648 -10.331 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.747 -10.860 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.792 -11.075 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.768 -8.772 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.093 -8.813 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.425 -8.531 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.493 -10.632 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.179 -10.465 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.347 -12.032 -0.534 1.00 0.00 H new ATOM 1324 N SER A 87 -6.006 -12.712 -3.843 1.00 0.00 N ATOM 1325 CA SER A 87 -7.227 -13.026 -4.576 1.00 0.00 C ATOM 1326 C SER A 87 -8.139 -11.805 -4.659 1.00 0.00 C ATOM 1327 O SER A 87 -8.013 -10.868 -3.871 1.00 0.00 O ATOM 1328 CB SER A 87 -7.966 -14.184 -3.905 1.00 0.00 C ATOM 1329 OG SER A 87 -9.247 -14.374 -4.481 1.00 0.00 O ATOM 0 H SER A 87 -6.156 -12.431 -2.874 1.00 0.00 H new ATOM 0 HA SER A 87 -6.949 -13.320 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.381 -15.098 -4.003 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.069 -13.984 -2.838 1.00 0.00 H new ATOM 0 HG SER A 87 -9.698 -15.121 -4.036 1.00 0.00 H new ATOM 1335 N ASP A 88 -9.056 -11.825 -5.620 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.991 -10.722 -5.807 1.00 0.00 C ATOM 1337 C ASP A 88 -10.592 -10.287 -4.474 1.00 0.00 C ATOM 1338 O ASP A 88 -10.683 -9.094 -4.184 1.00 0.00 O ATOM 1339 CB ASP A 88 -11.105 -11.127 -6.774 1.00 0.00 C ATOM 1340 CG ASP A 88 -11.755 -9.932 -7.442 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -12.726 -9.390 -6.873 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -11.292 -9.537 -8.533 1.00 0.00 O ATOM 0 H ASP A 88 -9.172 -12.593 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.441 -9.881 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.696 -11.789 -7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.863 -11.694 -6.233 1.00 0.00 H new ATOM 1347 N GLU A 89 -11.001 -11.262 -3.668 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.595 -10.978 -2.367 1.00 0.00 C ATOM 1349 C GLU A 89 -10.604 -10.250 -1.464 1.00 0.00 C ATOM 1350 O GLU A 89 -10.891 -9.164 -0.960 1.00 0.00 O ATOM 1351 CB GLU A 89 -12.055 -12.275 -1.698 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.259 -12.913 -2.369 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.372 -14.396 -2.076 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -13.649 -14.752 -0.911 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -13.185 -15.201 -3.012 1.00 0.00 O ATOM 0 H GLU A 89 -10.932 -12.254 -3.893 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.459 -10.332 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.230 -12.987 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.297 -12.070 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.166 -12.410 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.191 -12.763 -3.447 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.439 -10.856 -1.264 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.406 -10.266 -0.421 1.00 0.00 C ATOM 1364 C GLN A 90 -8.106 -8.833 -0.849 1.00 0.00 C ATOM 1365 O GLN A 90 -8.294 -7.892 -0.078 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.129 -11.106 -0.478 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.257 -12.455 0.211 1.00 0.00 C ATOM 1368 CD GLN A 90 -5.912 -13.091 0.504 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -5.115 -12.558 1.276 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.652 -14.237 -0.114 1.00 0.00 N ATOM 0 H GLN A 90 -9.186 -11.755 -1.674 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.776 -10.250 0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.855 -11.265 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.315 -10.547 -0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.807 -12.331 1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.842 -13.126 -0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.342 -14.644 -0.746 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.763 -14.711 0.043 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.638 -8.676 -2.083 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.313 -7.358 -2.614 1.00 0.00 C ATOM 1381 C ILE A 91 -8.419 -6.354 -2.308 1.00 0.00 C ATOM 1382 O ILE A 91 -8.159 -5.262 -1.802 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.084 -7.405 -4.136 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -5.960 -8.386 -4.475 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.759 -6.016 -4.666 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.109 -9.029 -5.836 1.00 0.00 C ATOM 0 H ILE A 91 -7.476 -9.445 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.392 -7.040 -2.126 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.000 -7.751 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.006 -7.861 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.928 -9.167 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.600 -6.066 -5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.588 -5.342 -4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.856 -5.644 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.277 -9.712 -6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.047 -9.582 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.110 -8.257 -6.605 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.656 -6.731 -2.617 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.803 -5.865 -2.373 1.00 0.00 C ATOM 1400 C HIS A 92 -10.857 -5.433 -0.911 1.00 0.00 C ATOM 1401 O HIS A 92 -11.127 -4.271 -0.604 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.100 -6.580 -2.754 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.324 -5.736 -2.578 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.589 -6.265 -2.435 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.471 -4.392 -2.520 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -15.462 -5.283 -2.299 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.809 -4.136 -2.346 1.00 0.00 N ATOM 0 H HIS A 92 -9.889 -7.631 -3.037 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.692 -4.975 -2.993 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.036 -6.900 -3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.200 -7.481 -2.148 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.683 -3.658 -2.596 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.528 -5.398 -2.171 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.230 -3.210 -2.266 1.00 0.00 H new ATOM 1416 N THR A 93 -10.599 -6.377 -0.010 1.00 0.00 N ATOM 1417 CA THR A 93 -10.620 -6.095 1.419 1.00 0.00 C ATOM 1418 C THR A 93 -9.587 -5.036 1.786 1.00 0.00 C ATOM 1419 O THR A 93 -9.901 -4.060 2.469 1.00 0.00 O ATOM 1420 CB THR A 93 -10.351 -7.367 2.246 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.272 -8.398 1.873 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.478 -7.081 3.735 1.00 0.00 C ATOM 0 H THR A 93 -10.373 -7.343 -0.246 1.00 0.00 H new ATOM 0 HA THR A 93 -11.617 -5.722 1.653 1.00 0.00 H new ATOM 0 HB THR A 93 -9.333 -7.698 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.070 -8.704 0.964 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.284 -7.994 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.756 -6.317 4.022 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.486 -6.727 3.953 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.355 -5.234 1.329 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.277 -4.294 1.608 1.00 0.00 C ATOM 1432 C ILE A 94 -7.666 -2.876 1.204 1.00 0.00 C ATOM 1433 O ILE A 94 -7.230 -1.902 1.820 1.00 0.00 O ATOM 1434 CB ILE A 94 -5.982 -4.688 0.873 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.587 -6.124 1.225 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -4.860 -3.723 1.223 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.476 -6.674 0.358 1.00 0.00 C ATOM 0 H ILE A 94 -8.079 -6.037 0.764 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.100 -4.327 2.683 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.160 -4.633 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.275 -6.161 2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.462 -6.767 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.952 -4.015 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.143 -2.713 0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.680 -3.749 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.248 -7.695 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.792 -6.669 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.586 -6.054 0.470 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.489 -2.766 0.168 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.940 -1.467 -0.318 1.00 0.00 C ATOM 1451 C LEU A 95 -9.990 -0.871 0.614 1.00 0.00 C ATOM 1452 O LEU A 95 -9.739 0.126 1.290 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.511 -1.598 -1.731 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.531 -2.056 -2.811 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.279 -2.489 -4.062 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.540 -0.948 -3.137 1.00 0.00 C ATOM 0 H LEU A 95 -8.858 -3.562 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.080 -0.798 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.343 -2.302 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.921 -0.632 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.975 -2.913 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.565 -2.812 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.948 -3.315 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.862 -1.651 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.850 -1.292 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.079 -0.072 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.980 -0.685 -2.240 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.165 -1.491 0.646 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.253 -1.022 1.497 1.00 0.00 C ATOM 1470 C GLN A 96 -11.751 -0.723 2.906 1.00 0.00 C ATOM 1471 O GLN A 96 -12.175 0.248 3.534 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.371 -2.065 1.552 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.877 -3.473 1.841 1.00 0.00 C ATOM 1474 CD GLN A 96 -12.879 -3.800 3.321 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -12.737 -2.914 4.165 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -13.042 -5.077 3.645 1.00 0.00 N ATOM 0 H GLN A 96 -11.388 -2.319 0.093 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.646 -0.101 1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -14.088 -1.776 2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.904 -2.064 0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -13.506 -4.190 1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.866 -3.587 1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.156 -5.778 2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.053 -5.357 4.626 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.846 -1.563 3.398 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.286 -1.388 4.732 1.00 0.00 C ATOM 1487 C VAL A 97 -9.494 -0.089 4.830 1.00 0.00 C ATOM 1488 O VAL A 97 -9.940 0.879 5.446 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.370 -2.565 5.116 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.466 -2.182 6.277 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -10.198 -3.795 5.457 1.00 0.00 C ATOM 0 H VAL A 97 -10.485 -2.372 2.892 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.127 -1.351 5.425 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.739 -2.806 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.826 -3.026 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.847 -1.332 5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.076 -1.913 7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.535 -4.617 5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.855 -3.570 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.798 -4.081 4.593 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.315 -0.074 4.217 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.459 1.107 4.233 1.00 0.00 C ATOM 1503 C LEU A 98 -8.286 2.381 4.101 1.00 0.00 C ATOM 1504 O LEU A 98 -7.995 3.392 4.739 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.432 1.032 3.102 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.267 0.066 3.316 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.474 -0.107 2.029 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.365 0.558 4.438 1.00 0.00 C ATOM 0 H LEU A 98 -7.930 -0.866 3.703 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.936 1.133 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.950 0.747 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.025 2.030 2.941 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.673 -0.904 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.649 -0.798 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.125 -0.505 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.079 0.858 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.541 -0.142 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.967 1.540 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.939 0.629 5.362 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.322 2.325 3.270 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.177 3.480 3.071 1.00 0.00 C ATOM 1522 C GLY A 99 -10.615 4.110 4.378 1.00 0.00 C ATOM 1523 O GLY A 99 -10.486 5.320 4.567 1.00 0.00 O ATOM 0 H GLY A 99 -9.584 1.500 2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.647 4.222 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.058 3.182 2.502 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.136 3.288 5.284 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.595 3.771 6.581 1.00 0.00 C ATOM 1529 C HIS A 100 -10.436 4.351 7.386 1.00 0.00 C ATOM 1530 O HIS A 100 -10.569 5.399 8.018 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.260 2.639 7.365 1.00 0.00 C ATOM 1532 CG HIS A 100 -11.304 1.850 8.205 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -10.643 2.381 9.292 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -10.900 0.562 8.112 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -9.872 1.453 9.832 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -10.010 0.340 9.135 1.00 0.00 N ATOM 0 H HIS A 100 -11.251 2.284 5.143 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.326 4.561 6.409 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.034 3.059 8.007 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -12.757 1.967 6.665 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.218 -0.157 7.372 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -9.237 1.583 10.696 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -9.533 -0.541 9.325 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.300 3.662 7.360 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.118 4.109 8.087 1.00 0.00 C ATOM 1547 C VAL A 101 -7.769 5.551 7.736 1.00 0.00 C ATOM 1548 O VAL A 101 -7.394 6.338 8.604 1.00 0.00 O ATOM 1549 CB VAL A 101 -6.902 3.211 7.787 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -5.671 3.716 8.523 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.202 1.767 8.160 1.00 0.00 C ATOM 0 H VAL A 101 -9.173 2.792 6.843 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.356 4.044 9.149 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.697 3.251 6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.822 3.069 8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.447 4.733 8.202 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.860 3.708 9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.333 1.147 7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.433 1.706 9.223 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.055 1.412 7.582 1.00 0.00 H new ATOM 1561 N ALA A 102 -7.897 5.891 6.458 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.598 7.239 5.992 1.00 0.00 C ATOM 1563 C ALA A 102 -8.449 8.273 6.722 1.00 0.00 C ATOM 1564 O ALA A 102 -7.927 9.133 7.431 1.00 0.00 O ATOM 1565 CB ALA A 102 -7.815 7.339 4.490 1.00 0.00 C ATOM 0 H ALA A 102 -8.206 5.251 5.726 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.551 7.449 6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.588 8.351 4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.160 6.633 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.853 7.104 4.256 1.00 0.00 H new ATOM 1571 N LYS A 103 -9.762 8.184 6.542 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.688 9.111 7.183 1.00 0.00 C ATOM 1573 C LYS A 103 -10.476 9.134 8.693 1.00 0.00 C ATOM 1574 O LYS A 103 -10.548 10.188 9.324 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.133 8.722 6.866 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.452 8.723 5.381 1.00 0.00 C ATOM 1577 CD LYS A 103 -13.755 7.998 5.090 1.00 0.00 C ATOM 1578 CE LYS A 103 -14.094 8.034 3.607 1.00 0.00 C ATOM 1579 NZ LYS A 103 -15.503 7.629 3.350 1.00 0.00 N ATOM 0 H LYS A 103 -10.210 7.479 5.957 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.493 10.109 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.330 7.729 7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.806 9.413 7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.518 9.750 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.639 8.246 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.678 6.963 5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.563 8.456 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.929 9.040 3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.421 7.370 3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.694 7.667 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.654 6.660 3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.147 8.277 3.847 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.212 7.964 9.267 1.00 0.00 N ATOM 1594 CA ALA A 104 -9.986 7.851 10.703 1.00 0.00 C ATOM 1595 C ALA A 104 -8.821 8.730 11.146 1.00 0.00 C ATOM 1596 O ALA A 104 -8.673 9.031 12.329 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.730 6.401 11.084 1.00 0.00 C ATOM 0 H ALA A 104 -10.149 7.081 8.759 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.884 8.197 11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.563 6.331 12.159 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.594 5.795 10.811 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.849 6.036 10.555 1.00 0.00 H new ATOM 1603 N GLY A 105 -7.995 9.138 10.187 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.854 9.978 10.499 1.00 0.00 C ATOM 1605 C GLY A 105 -6.813 11.238 9.657 1.00 0.00 C ATOM 1606 O GLY A 105 -5.741 11.684 9.245 1.00 0.00 O ATOM 0 H GLY A 105 -8.096 8.902 9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.885 10.251 11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.936 9.411 10.344 1.00 0.00 H new ATOM 1610 N LEU A 106 -7.983 11.812 9.398 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.077 13.028 8.598 1.00 0.00 C ATOM 1612 C LEU A 106 -7.762 14.261 9.440 1.00 0.00 C ATOM 1613 O LEU A 106 -7.893 14.239 10.663 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.476 13.155 7.991 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.657 12.564 6.593 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.134 12.394 6.272 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -8.981 13.443 5.550 1.00 0.00 C ATOM 0 H LEU A 106 -8.879 11.455 9.730 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.343 12.963 7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.187 12.673 8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.739 14.212 7.954 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.186 11.581 6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.243 11.972 5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.590 11.724 7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.629 13.364 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.120 13.007 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.422 14.439 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.916 13.513 5.769 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.347 15.335 8.775 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.021 16.562 9.478 1.00 0.00 C ATOM 1631 C GLY A 107 -5.557 16.638 9.864 1.00 0.00 C ATOM 1632 O GLY A 107 -4.993 17.727 9.978 1.00 0.00 O ATOM 0 H GLY A 107 -7.231 15.377 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.272 17.416 8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.635 16.637 10.376 1.00 0.00 H new ATOM 1636 N THR A 108 -4.939 15.479 10.067 1.00 0.00 N ATOM 1637 CA THR A 108 -3.533 15.419 10.446 1.00 0.00 C ATOM 1638 C THR A 108 -2.815 14.291 9.713 1.00 0.00 C ATOM 1639 O THR A 108 -3.423 13.558 8.935 1.00 0.00 O ATOM 1640 CB THR A 108 -3.368 15.216 11.964 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.997 13.994 12.366 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.971 16.381 12.734 1.00 0.00 C ATOM 0 H THR A 108 -5.390 14.569 9.975 1.00 0.00 H new ATOM 0 HA THR A 108 -3.088 16.374 10.165 1.00 0.00 H new ATOM 0 HB THR A 108 -2.303 15.166 12.188 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.886 13.871 13.332 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.843 16.216 13.804 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.470 17.305 12.447 1.00 0.00 H new ATOM 0 HG23 THR A 108 -5.034 16.458 12.504 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.517 14.159 9.968 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.716 13.119 9.334 1.00 0.00 C ATOM 1652 C ALA A 109 -1.441 11.777 9.358 1.00 0.00 C ATOM 1653 O ALA A 109 -1.947 11.353 10.397 1.00 0.00 O ATOM 1654 CB ALA A 109 0.637 13.002 10.021 1.00 0.00 C ATOM 0 H ALA A 109 -0.998 14.759 10.609 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.559 13.400 8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.224 12.222 9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.166 13.952 9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.491 12.748 11.071 1.00 0.00 H new ATOM 1660 N MET A 110 -1.487 11.115 8.207 1.00 0.00 N ATOM 1661 CA MET A 110 -2.150 9.820 8.097 1.00 0.00 C ATOM 1662 C MET A 110 -1.284 8.830 7.325 1.00 0.00 C ATOM 1663 O MET A 110 -1.252 7.640 7.642 1.00 0.00 O ATOM 1664 CB MET A 110 -3.507 9.975 7.407 1.00 0.00 C ATOM 1665 CG MET A 110 -3.443 10.770 6.113 1.00 0.00 C ATOM 1666 SD MET A 110 -4.922 10.569 5.101 1.00 0.00 S ATOM 1667 CE MET A 110 -5.904 11.961 5.654 1.00 0.00 C ATOM 0 H MET A 110 -1.074 11.453 7.338 1.00 0.00 H new ATOM 0 HA MET A 110 -2.305 9.432 9.104 1.00 0.00 H new ATOM 0 HB2 MET A 110 -3.914 8.986 7.196 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.200 10.465 8.091 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.308 11.826 6.346 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.570 10.456 5.541 1.00 0.00 H new ATOM 0 HE1 MET A 110 -6.878 11.607 5.993 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.394 12.463 6.476 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.039 12.661 4.830 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.585 9.327 6.312 1.00 0.00 N ATOM 1678 CA LEU A 111 0.282 8.485 5.494 1.00 0.00 C ATOM 1679 C LEU A 111 0.924 7.386 6.334 1.00 0.00 C ATOM 1680 O LEU A 111 0.865 6.208 5.983 1.00 0.00 O ATOM 1681 CB LEU A 111 1.367 9.333 4.827 1.00 0.00 C ATOM 1682 CG LEU A 111 0.877 10.411 3.860 1.00 0.00 C ATOM 1683 CD1 LEU A 111 2.011 11.357 3.497 1.00 0.00 C ATOM 1684 CD2 LEU A 111 0.288 9.776 2.608 1.00 0.00 C ATOM 0 H LEU A 111 -0.601 10.309 6.036 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.330 8.016 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.955 9.814 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.039 8.667 4.286 1.00 0.00 H new ATOM 0 HG LEU A 111 0.094 10.987 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.644 12.118 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.388 11.837 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.815 10.795 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.056 10.558 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.050 9.175 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.553 9.140 2.884 1.00 0.00 H new ATOM 1696 N TYR A 112 1.534 7.779 7.447 1.00 0.00 N ATOM 1697 CA TYR A 112 2.187 6.827 8.338 1.00 0.00 C ATOM 1698 C TYR A 112 1.239 5.691 8.709 1.00 0.00 C ATOM 1699 O TYR A 112 1.510 4.525 8.423 1.00 0.00 O ATOM 1700 CB TYR A 112 2.674 7.534 9.604 1.00 0.00 C ATOM 1701 CG TYR A 112 3.520 6.657 10.499 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.841 6.371 10.177 1.00 0.00 C ATOM 1703 CD2 TYR A 112 2.998 6.113 11.666 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.617 5.569 10.992 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.767 5.312 12.488 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.076 5.042 12.146 1.00 0.00 C ATOM 1707 OH TYR A 112 5.845 4.243 12.961 1.00 0.00 O ATOM 0 H TYR A 112 1.590 8.750 7.754 1.00 0.00 H new ATOM 0 HA TYR A 112 3.044 6.404 7.813 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.252 8.413 9.320 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.811 7.888 10.167 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.269 6.782 9.275 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.973 6.320 11.935 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.642 5.356 10.727 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.346 4.900 13.393 1.00 0.00 H new ATOM 0 HH TYR A 112 5.488 3.330 12.955 1.00 0.00 H new ATOM 1717 N GLU A 113 0.127 6.041 9.348 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.861 5.050 9.759 1.00 0.00 C ATOM 1719 C GLU A 113 -1.207 4.115 8.604 1.00 0.00 C ATOM 1720 O GLU A 113 -0.933 2.915 8.658 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.128 5.741 10.267 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.096 6.055 11.754 1.00 0.00 C ATOM 1723 CD GLU A 113 -2.936 7.265 12.113 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -4.149 7.253 11.821 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -2.378 8.224 12.688 1.00 0.00 O ATOM 0 H GLU A 113 -0.112 7.002 9.592 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.430 4.458 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.274 6.668 9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.988 5.105 10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.455 5.190 12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.065 6.228 12.063 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.811 4.673 7.560 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.196 3.890 6.391 1.00 0.00 C ATOM 1734 C LEU A 114 -1.162 2.808 6.096 1.00 0.00 C ATOM 1735 O LEU A 114 -1.503 1.633 5.950 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.358 4.801 5.173 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.564 5.741 5.195 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.430 6.807 4.118 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -4.855 4.957 5.013 1.00 0.00 C ATOM 0 H LEU A 114 -2.044 5.664 7.499 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.149 3.407 6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.455 5.403 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.426 4.176 4.283 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.596 6.236 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.297 7.467 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.525 7.389 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.371 6.330 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.702 5.642 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.832 4.434 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.957 4.232 5.820 1.00 0.00 H new ATOM 1751 N ILE A 115 0.101 3.211 6.011 1.00 0.00 N ATOM 1752 CA ILE A 115 1.185 2.275 5.737 1.00 0.00 C ATOM 1753 C ILE A 115 1.239 1.173 6.791 1.00 0.00 C ATOM 1754 O ILE A 115 1.297 -0.011 6.461 1.00 0.00 O ATOM 1755 CB ILE A 115 2.548 2.990 5.688 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.563 4.028 4.564 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.669 1.980 5.500 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.587 5.123 4.767 1.00 0.00 C ATOM 0 H ILE A 115 0.399 4.179 6.128 1.00 0.00 H new ATOM 0 HA ILE A 115 0.981 1.833 4.762 1.00 0.00 H new ATOM 0 HB ILE A 115 2.706 3.506 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.764 3.525 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.573 4.478 4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.626 2.501 5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.667 1.276 6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.518 1.439 4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.542 5.823 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.375 5.652 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.583 4.684 4.819 1.00 0.00 H new ATOM 1770 N GLU A 116 1.217 1.572 8.058 1.00 0.00 N ATOM 1771 CA GLU A 116 1.263 0.618 9.160 1.00 0.00 C ATOM 1772 C GLU A 116 0.191 -0.455 8.995 1.00 0.00 C ATOM 1773 O GLU A 116 0.466 -1.649 9.116 1.00 0.00 O ATOM 1774 CB GLU A 116 1.077 1.339 10.497 1.00 0.00 C ATOM 1775 CG GLU A 116 2.137 2.392 10.773 1.00 0.00 C ATOM 1776 CD GLU A 116 3.476 1.787 11.149 1.00 0.00 C ATOM 1777 OE1 GLU A 116 4.007 0.982 10.355 1.00 0.00 O ATOM 1778 OE2 GLU A 116 3.993 2.118 12.236 1.00 0.00 O ATOM 0 H GLU A 116 1.168 2.549 8.347 1.00 0.00 H new ATOM 0 HA GLU A 116 2.241 0.136 9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.095 1.812 10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.089 0.604 11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.261 3.018 9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.797 3.042 11.579 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.035 -0.021 8.719 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.150 -0.942 8.536 1.00 0.00 C ATOM 1787 C LYS A 117 -1.849 -1.949 7.431 1.00 0.00 C ATOM 1788 O LYS A 117 -1.991 -3.156 7.621 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.427 -0.169 8.202 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.700 -0.962 8.442 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.981 -1.129 9.926 1.00 0.00 C ATOM 1792 CE LYS A 117 -6.473 -1.232 10.202 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.751 -1.877 11.516 1.00 0.00 N ATOM 0 H LYS A 117 -1.281 0.964 8.617 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.295 -1.486 9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.458 0.741 8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.392 0.139 7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.540 -0.456 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.612 -1.943 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.479 -2.024 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.566 -0.283 10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.915 -0.236 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.951 -1.806 9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.779 -1.929 11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.351 -2.837 11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.317 -1.316 12.277 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.430 -1.444 6.274 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.114 -2.314 5.156 1.00 0.00 C ATOM 1809 C GLY A 118 -0.400 -3.579 5.589 1.00 0.00 C ATOM 1810 O GLY A 118 -0.735 -4.675 5.141 1.00 0.00 O ATOM 0 H GLY A 118 -1.304 -0.448 6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.034 -2.580 4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.490 -1.774 4.444 1.00 0.00 H new ATOM 1814 N LYS A 119 0.590 -3.428 6.463 1.00 0.00 N ATOM 1815 CA LYS A 119 1.355 -4.566 6.957 1.00 0.00 C ATOM 1816 C LYS A 119 0.489 -5.463 7.836 1.00 0.00 C ATOM 1817 O LYS A 119 0.464 -6.681 7.659 1.00 0.00 O ATOM 1818 CB LYS A 119 2.574 -4.083 7.747 1.00 0.00 C ATOM 1819 CG LYS A 119 3.697 -3.557 6.871 1.00 0.00 C ATOM 1820 CD LYS A 119 3.560 -2.064 6.624 1.00 0.00 C ATOM 1821 CE LYS A 119 3.953 -1.258 7.852 1.00 0.00 C ATOM 1822 NZ LYS A 119 5.416 -1.334 8.121 1.00 0.00 N ATOM 0 H LYS A 119 0.881 -2.528 6.844 1.00 0.00 H new ATOM 0 HA LYS A 119 1.693 -5.146 6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.262 -3.297 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.953 -4.906 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.656 -3.761 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.694 -4.086 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.188 -1.774 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.531 -1.832 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.663 -0.217 7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.405 -1.627 8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.691 -0.566 8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.642 -2.251 8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.939 -1.238 7.227 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.219 -4.853 8.780 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.087 -5.598 9.685 1.00 0.00 C ATOM 1838 C GLU A 120 -2.110 -6.419 8.905 1.00 0.00 C ATOM 1839 O GLU A 120 -2.211 -7.634 9.081 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.805 -4.643 10.641 1.00 0.00 C ATOM 1841 CG GLU A 120 -1.000 -4.309 11.886 1.00 0.00 C ATOM 1842 CD GLU A 120 -1.109 -5.379 12.955 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -1.054 -6.576 12.606 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -1.249 -5.017 14.143 1.00 0.00 O ATOM 0 H GLU A 120 -0.209 -3.845 8.939 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.465 -6.280 10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.039 -3.720 10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.754 -5.088 10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.047 -4.179 11.613 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.344 -3.358 12.293 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.866 -5.747 8.043 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.880 -6.414 7.236 1.00 0.00 C ATOM 1853 C ILE A 121 -3.335 -7.697 6.619 1.00 0.00 C ATOM 1854 O ILE A 121 -3.975 -8.748 6.679 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.397 -5.497 6.112 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.984 -4.212 6.702 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.437 -6.223 5.272 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -5.058 -3.072 5.711 1.00 0.00 C ATOM 0 H ILE A 121 -2.795 -4.742 7.886 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.706 -6.657 7.905 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.560 -5.230 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.985 -4.420 7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.379 -3.903 7.554 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.793 -5.562 4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.989 -7.112 4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.275 -6.516 5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.484 -2.194 6.197 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.056 -2.837 5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.688 -3.362 4.870 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.150 -7.606 6.028 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.516 -8.761 5.401 1.00 0.00 C ATOM 1872 C LEU A 122 -1.188 -9.831 6.437 1.00 0.00 C ATOM 1873 O LEU A 122 -1.544 -10.998 6.273 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.242 -8.335 4.670 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.441 -7.671 3.307 1.00 0.00 C ATOM 1876 CD1 LEU A 122 0.882 -7.146 2.770 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.067 -8.648 2.323 1.00 0.00 C ATOM 0 H LEU A 122 -1.608 -6.744 5.969 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.217 -9.182 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.308 -7.646 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.387 -9.215 4.535 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.120 -6.827 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.720 -6.677 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.291 -6.412 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.584 -7.973 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.201 -8.158 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.414 -9.512 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.035 -8.975 2.701 1.00 0.00 H new ATOM 1889 N SER A 123 -0.508 -9.425 7.504 1.00 0.00 N ATOM 1890 CA SER A 123 -0.130 -10.350 8.567 1.00 0.00 C ATOM 1891 C SER A 123 -0.265 -9.689 9.935 1.00 0.00 C ATOM 1892 O SER A 123 -0.041 -8.488 10.082 1.00 0.00 O ATOM 1893 CB SER A 123 1.306 -10.836 8.362 1.00 0.00 C ATOM 1894 OG SER A 123 1.752 -11.593 9.474 1.00 0.00 O ATOM 0 H SER A 123 -0.207 -8.462 7.656 1.00 0.00 H new ATOM 0 HA SER A 123 -0.804 -11.205 8.528 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.362 -11.443 7.459 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.965 -9.981 8.213 1.00 0.00 H new ATOM 0 HG SER A 123 2.672 -11.893 9.318 1.00 0.00 H new ATOM 1900 N GLY A 124 -0.633 -10.483 10.936 1.00 0.00 N ATOM 1901 CA GLY A 124 -0.792 -9.959 12.279 1.00 0.00 C ATOM 1902 C GLY A 124 -2.132 -10.320 12.888 1.00 0.00 C ATOM 1903 O GLY A 124 -3.135 -10.471 12.189 1.00 0.00 O ATOM 0 H GLY A 124 -0.824 -11.480 10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.007 -10.344 12.913 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -0.687 -8.874 12.257 1.00 0.00 H new ATOM 1907 N PRO A 125 -2.161 -10.467 14.221 1.00 0.00 N ATOM 1908 CA PRO A 125 -3.383 -10.816 14.953 1.00 0.00 C ATOM 1909 C PRO A 125 -4.400 -9.681 14.957 1.00 0.00 C ATOM 1910 O PRO A 125 -4.148 -8.611 15.512 1.00 0.00 O ATOM 1911 CB PRO A 125 -2.880 -11.090 16.372 1.00 0.00 C ATOM 1912 CG PRO A 125 -1.622 -10.300 16.487 1.00 0.00 C ATOM 1913 CD PRO A 125 -1.004 -10.303 15.117 1.00 0.00 C ATOM 0 HA PRO A 125 -3.903 -11.660 14.500 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -3.612 -10.780 17.118 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -2.696 -12.153 16.528 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -1.829 -9.283 16.819 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.948 -10.744 17.220 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -0.468 -9.375 14.916 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -0.288 -11.116 15.001 1.00 0.00 H new ATOM 1921 N SER A 126 -5.550 -9.920 14.336 1.00 0.00 N ATOM 1922 CA SER A 126 -6.605 -8.916 14.266 1.00 0.00 C ATOM 1923 C SER A 126 -7.925 -9.543 13.828 1.00 0.00 C ATOM 1924 O SER A 126 -7.948 -10.447 12.993 1.00 0.00 O ATOM 1925 CB SER A 126 -6.212 -7.799 13.296 1.00 0.00 C ATOM 1926 OG SER A 126 -6.849 -6.580 13.637 1.00 0.00 O ATOM 0 H SER A 126 -5.775 -10.801 13.874 1.00 0.00 H new ATOM 0 HA SER A 126 -6.736 -8.494 15.262 1.00 0.00 H new ATOM 0 HB2 SER A 126 -5.130 -7.664 13.311 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.484 -8.083 12.280 1.00 0.00 H new ATOM 0 HG SER A 126 -6.580 -5.882 13.004 1.00 0.00 H new ATOM 1932 N SER A 127 -9.022 -9.057 14.399 1.00 0.00 N ATOM 1933 CA SER A 127 -10.347 -9.572 14.071 1.00 0.00 C ATOM 1934 C SER A 127 -11.360 -8.436 13.965 1.00 0.00 C ATOM 1935 O SER A 127 -11.058 -7.287 14.284 1.00 0.00 O ATOM 1936 CB SER A 127 -10.801 -10.579 15.129 1.00 0.00 C ATOM 1937 OG SER A 127 -11.984 -11.246 14.723 1.00 0.00 O ATOM 0 H SER A 127 -9.020 -8.308 15.091 1.00 0.00 H new ATOM 0 HA SER A 127 -10.287 -10.073 13.105 1.00 0.00 H new ATOM 0 HB2 SER A 127 -10.010 -11.308 15.304 1.00 0.00 H new ATOM 0 HB3 SER A 127 -10.976 -10.065 16.074 1.00 0.00 H new ATOM 0 HG SER A 127 -12.253 -11.885 15.415 1.00 0.00 H new ATOM 1943 N GLY A 128 -12.566 -8.768 13.514 1.00 0.00 N ATOM 1944 CA GLY A 128 -13.607 -7.766 13.373 1.00 0.00 C ATOM 1945 C GLY A 128 -14.640 -7.844 14.479 1.00 0.00 C ATOM 1946 O GLY A 128 -14.483 -7.223 15.530 1.00 0.00 O ATOM 0 H GLY A 128 -12.841 -9.712 13.244 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -13.155 -6.774 13.372 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -14.101 -7.892 12.409 1.00 0.00 H new TER 1950 GLY A 128