USER MOD reduce.3.24.130724 H: found=0, std=0, add=1069, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1069 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 111 CYS SG : rot 99:sc= -0.624 USER MOD Set 1.2: A 115 ASN : amide:sc= -0.179 K(o=-0.8,f=-3.3!) USER MOD Set 2.1: A 93 SER OG : rot 180:sc= -0.0523 USER MOD Set 2.2: A 97 THR OG1 : rot 78:sc= 0.734 USER MOD Set 3.1: A 9 GLN : amide:sc= -6.1! C(o=-10!,f=-11!) USER MOD Set 3.2: A 12 GLN : amide:sc= -4.21! C(o=-10!,f=-14!) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00652 USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= -1.23 (180deg=-3.4!) USER MOD Single : A 15 GLN : amide:sc= -4.16! C(o=-4.2!,f=-3.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.881 USER MOD Single : A 20 ASN : amide:sc= -2.04! C(o=-2!,f=-2.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -44:sc= 0.808 USER MOD Single : A 36 MET CE :methyl 152:sc= -4.27! (180deg=-7.99!) USER MOD Single : A 37 GLN : amide:sc= -0.0517 K(o=-0.052,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ -131:sc= -2.21 (180deg=-4.95!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00325 USER MOD Single : A 44 ASN : amide:sc= -0.761 K(o=-0.76,f=-6.6!) USER MOD Single : A 49 MET CE :methyl 158:sc= -0.382 (180deg=-1.51!) USER MOD Single : A 51 LYS NZ :NH3+ -134:sc= -1.71 (180deg=-4.37!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.23 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0229 USER MOD Single : A 61 ASN : amide:sc= -3.98! C(o=-4!,f=-8.7!) USER MOD Single : A 74 ASN : amide:sc= -5.51! C(o=-5.5!,f=-17!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.53! C(o=-0.53!,f=-4.8!) USER MOD Single : A 83 LYS NZ :NH3+ 157:sc= -0.612 (180deg=-2.42!) USER MOD Single : A 86 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-4.8!) USER MOD Single : A 89 SER OG : rot 38:sc= 0.859 USER MOD Single : A 90 SER OG : rot -1:sc= 0.33 USER MOD Single : A 92 THR OG1 : rot 67:sc= 0.969 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.847 K(o=-0.85,f=-0.21) USER MOD Single : A 102 TYR OH : rot 177:sc= -1.24! USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 150:sc= -0.0566 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.775 USER MOD Single : A 113 LYS NZ :NH3+ -155:sc= 0.817 (180deg=0.438) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -107:sc= 0.59 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 123 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 129 ASN : amide:sc= -6.46! C(o=-6.5!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 3 102.474 -12.371 18.358 1.00 0.00 N ATOM 2 CA GLY A 3 103.066 -13.613 17.787 1.00 0.00 C ATOM 3 C GLY A 3 104.261 -13.253 16.905 1.00 0.00 C ATOM 4 O GLY A 3 104.972 -14.113 16.424 1.00 0.00 O ATOM 0 HA2 GLY A 3 103.381 -14.280 18.590 1.00 0.00 H new ATOM 0 HA3 GLY A 3 102.318 -14.149 17.203 1.00 0.00 H new ATOM 8 N TRP A 4 104.491 -11.984 16.690 1.00 0.00 N ATOM 9 CA TRP A 4 105.643 -11.559 15.840 1.00 0.00 C ATOM 10 C TRP A 4 106.833 -11.226 16.741 1.00 0.00 C ATOM 11 O TRP A 4 106.791 -10.296 17.523 1.00 0.00 O ATOM 12 CB TRP A 4 105.235 -10.318 15.035 1.00 0.00 C ATOM 13 CG TRP A 4 106.423 -9.742 14.328 1.00 0.00 C ATOM 14 CD1 TRP A 4 107.119 -10.356 13.343 1.00 0.00 C ATOM 15 CD2 TRP A 4 107.056 -8.444 14.528 1.00 0.00 C ATOM 16 NE1 TRP A 4 108.139 -9.517 12.927 1.00 0.00 N ATOM 17 CE2 TRP A 4 108.141 -8.328 13.628 1.00 0.00 C ATOM 18 CE3 TRP A 4 106.796 -7.368 15.395 1.00 0.00 C ATOM 19 CZ2 TRP A 4 108.940 -7.183 13.590 1.00 0.00 C ATOM 20 CZ3 TRP A 4 107.596 -6.215 15.359 1.00 0.00 C ATOM 21 CH2 TRP A 4 108.667 -6.123 14.459 1.00 0.00 C ATOM 0 H TRP A 4 103.929 -11.221 17.068 1.00 0.00 H new ATOM 0 HA TRP A 4 105.923 -12.360 15.156 1.00 0.00 H new ATOM 0 HB2 TRP A 4 104.466 -10.583 14.310 1.00 0.00 H new ATOM 0 HB3 TRP A 4 104.802 -9.571 15.700 1.00 0.00 H new ATOM 0 HD1 TRP A 4 106.913 -11.339 12.946 1.00 0.00 H new ATOM 0 HE1 TRP A 4 108.807 -9.749 12.192 1.00 0.00 H new ATOM 0 HE3 TRP A 4 105.975 -7.429 16.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 109.763 -7.117 12.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 107.385 -5.394 16.028 1.00 0.00 H new ATOM 0 HH2 TRP A 4 109.280 -5.234 14.437 1.00 0.00 H new ATOM 32 N SER A 5 107.896 -11.980 16.631 1.00 0.00 N ATOM 33 CA SER A 5 109.108 -11.726 17.470 1.00 0.00 C ATOM 34 C SER A 5 110.206 -11.141 16.586 1.00 0.00 C ATOM 35 O SER A 5 110.328 -11.485 15.427 1.00 0.00 O ATOM 36 CB SER A 5 109.593 -13.045 18.076 1.00 0.00 C ATOM 37 OG SER A 5 109.899 -13.957 17.029 1.00 0.00 O ATOM 0 H SER A 5 107.978 -12.769 15.990 1.00 0.00 H new ATOM 0 HA SER A 5 108.865 -11.028 18.271 1.00 0.00 H new ATOM 0 HB2 SER A 5 110.475 -12.873 18.693 1.00 0.00 H new ATOM 0 HB3 SER A 5 108.825 -13.464 18.726 1.00 0.00 H new ATOM 0 HG SER A 5 110.212 -14.803 17.413 1.00 0.00 H new ATOM 43 N PHE A 6 111.009 -10.265 17.118 1.00 0.00 N ATOM 44 CA PHE A 6 112.094 -9.671 16.295 1.00 0.00 C ATOM 45 C PHE A 6 113.060 -10.779 15.884 1.00 0.00 C ATOM 46 O PHE A 6 113.672 -10.731 14.833 1.00 0.00 O ATOM 47 CB PHE A 6 112.834 -8.608 17.112 1.00 0.00 C ATOM 48 CG PHE A 6 113.496 -9.250 18.308 1.00 0.00 C ATOM 49 CD1 PHE A 6 112.800 -9.358 19.518 1.00 0.00 C ATOM 50 CD2 PHE A 6 114.806 -9.737 18.209 1.00 0.00 C ATOM 51 CE1 PHE A 6 113.413 -9.950 20.629 1.00 0.00 C ATOM 52 CE2 PHE A 6 115.419 -10.328 19.319 1.00 0.00 C ATOM 53 CZ PHE A 6 114.722 -10.436 20.530 1.00 0.00 C ATOM 0 H PHE A 6 110.961 -9.936 18.082 1.00 0.00 H new ATOM 0 HA PHE A 6 111.674 -9.202 15.405 1.00 0.00 H new ATOM 0 HB2 PHE A 6 113.583 -8.115 16.491 1.00 0.00 H new ATOM 0 HB3 PHE A 6 112.136 -7.838 17.441 1.00 0.00 H new ATOM 0 HD1 PHE A 6 111.790 -8.984 19.595 1.00 0.00 H new ATOM 0 HD2 PHE A 6 115.343 -9.656 17.275 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.876 -10.032 21.562 1.00 0.00 H new ATOM 0 HE2 PHE A 6 116.430 -10.701 19.243 1.00 0.00 H new ATOM 0 HZ PHE A 6 115.195 -10.894 21.386 1.00 0.00 H new ATOM 63 N GLU A 7 113.195 -11.788 16.699 1.00 0.00 N ATOM 64 CA GLU A 7 114.113 -12.901 16.345 1.00 0.00 C ATOM 65 C GLU A 7 113.603 -13.570 15.064 1.00 0.00 C ATOM 66 O GLU A 7 114.368 -14.018 14.236 1.00 0.00 O ATOM 67 CB GLU A 7 114.159 -13.930 17.468 1.00 0.00 C ATOM 68 CG GLU A 7 114.650 -13.268 18.756 1.00 0.00 C ATOM 69 CD GLU A 7 114.694 -14.307 19.878 1.00 0.00 C ATOM 70 OE1 GLU A 7 114.185 -15.396 19.669 1.00 0.00 O ATOM 71 OE2 GLU A 7 115.236 -13.997 20.925 1.00 0.00 O ATOM 0 H GLU A 7 112.711 -11.888 17.591 1.00 0.00 H new ATOM 0 HA GLU A 7 115.117 -12.505 16.193 1.00 0.00 H new ATOM 0 HB2 GLU A 7 113.168 -14.358 17.623 1.00 0.00 H new ATOM 0 HB3 GLU A 7 114.822 -14.751 17.195 1.00 0.00 H new ATOM 0 HG2 GLU A 7 115.641 -12.840 18.603 1.00 0.00 H new ATOM 0 HG3 GLU A 7 113.987 -12.447 19.031 1.00 0.00 H new ATOM 78 N GLU A 8 112.309 -13.639 14.893 1.00 0.00 N ATOM 79 CA GLU A 8 111.756 -14.273 13.663 1.00 0.00 C ATOM 80 C GLU A 8 112.252 -13.480 12.454 1.00 0.00 C ATOM 81 O GLU A 8 112.623 -14.030 11.436 1.00 0.00 O ATOM 82 CB GLU A 8 110.225 -14.247 13.714 1.00 0.00 C ATOM 83 CG GLU A 8 109.656 -14.951 12.481 1.00 0.00 C ATOM 84 CD GLU A 8 108.132 -15.034 12.599 1.00 0.00 C ATOM 85 OE1 GLU A 8 107.621 -14.696 13.654 1.00 0.00 O ATOM 86 OE2 GLU A 8 107.505 -15.434 11.633 1.00 0.00 O ATOM 0 H GLU A 8 111.614 -13.285 15.550 1.00 0.00 H new ATOM 0 HA GLU A 8 112.084 -15.310 13.590 1.00 0.00 H new ATOM 0 HB2 GLU A 8 109.873 -14.740 14.621 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.870 -13.217 13.753 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.932 -14.406 11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 8 110.080 -15.951 12.392 1.00 0.00 H new ATOM 93 N GLN A 9 112.285 -12.185 12.573 1.00 0.00 N ATOM 94 CA GLN A 9 112.786 -11.341 11.458 1.00 0.00 C ATOM 95 C GLN A 9 114.248 -11.742 11.191 1.00 0.00 C ATOM 96 O GLN A 9 114.793 -11.531 10.125 1.00 0.00 O ATOM 97 CB GLN A 9 112.700 -9.861 11.889 1.00 0.00 C ATOM 98 CG GLN A 9 112.424 -8.960 10.678 1.00 0.00 C ATOM 99 CD GLN A 9 110.946 -9.064 10.290 1.00 0.00 C ATOM 100 OE1 GLN A 9 110.100 -9.280 11.135 1.00 0.00 O ATOM 101 NE2 GLN A 9 110.596 -8.913 9.042 1.00 0.00 N ATOM 0 H GLN A 9 111.984 -11.671 13.401 1.00 0.00 H new ATOM 0 HA GLN A 9 112.197 -11.479 10.551 1.00 0.00 H new ATOM 0 HB2 GLN A 9 111.909 -9.738 12.629 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.633 -9.561 12.367 1.00 0.00 H new ATOM 0 HG2 GLN A 9 112.677 -7.927 10.915 1.00 0.00 H new ATOM 0 HG3 GLN A 9 113.053 -9.258 9.839 1.00 0.00 H new ATOM 0 HE21 GLN A 9 111.305 -8.732 8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 9 109.613 -8.976 8.777 1.00 0.00 H new ATOM 110 N PHE A 10 114.881 -12.300 12.187 1.00 0.00 N ATOM 111 CA PHE A 10 116.313 -12.710 12.070 1.00 0.00 C ATOM 112 C PHE A 10 116.470 -13.893 11.093 1.00 0.00 C ATOM 113 O PHE A 10 117.246 -13.840 10.159 1.00 0.00 O ATOM 114 CB PHE A 10 116.789 -13.149 13.469 1.00 0.00 C ATOM 115 CG PHE A 10 118.261 -12.851 13.679 1.00 0.00 C ATOM 116 CD1 PHE A 10 119.217 -13.288 12.751 1.00 0.00 C ATOM 117 CD2 PHE A 10 118.664 -12.119 14.806 1.00 0.00 C ATOM 118 CE1 PHE A 10 120.573 -12.997 12.955 1.00 0.00 C ATOM 119 CE2 PHE A 10 120.018 -11.827 15.006 1.00 0.00 C ATOM 120 CZ PHE A 10 120.971 -12.266 14.079 1.00 0.00 C ATOM 0 H PHE A 10 114.459 -12.493 13.095 1.00 0.00 H new ATOM 0 HA PHE A 10 116.902 -11.875 11.691 1.00 0.00 H new ATOM 0 HB2 PHE A 10 116.202 -12.637 14.231 1.00 0.00 H new ATOM 0 HB3 PHE A 10 116.612 -14.217 13.595 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.909 -13.848 11.880 1.00 0.00 H new ATOM 0 HD2 PHE A 10 117.928 -11.780 15.520 1.00 0.00 H new ATOM 0 HE1 PHE A 10 121.311 -13.338 12.244 1.00 0.00 H new ATOM 0 HE2 PHE A 10 120.327 -11.264 15.874 1.00 0.00 H new ATOM 0 HZ PHE A 10 122.016 -12.040 14.232 1.00 0.00 H new ATOM 130 N LYS A 11 115.778 -14.976 11.329 1.00 0.00 N ATOM 131 CA LYS A 11 115.938 -16.170 10.445 1.00 0.00 C ATOM 132 C LYS A 11 115.598 -15.841 8.989 1.00 0.00 C ATOM 133 O LYS A 11 116.261 -16.304 8.082 1.00 0.00 O ATOM 134 CB LYS A 11 115.059 -17.321 10.948 1.00 0.00 C ATOM 135 CG LYS A 11 113.613 -16.855 11.105 1.00 0.00 C ATOM 136 CD LYS A 11 112.732 -18.051 11.483 1.00 0.00 C ATOM 137 CE LYS A 11 113.185 -18.635 12.831 1.00 0.00 C ATOM 138 NZ LYS A 11 114.248 -19.654 12.598 1.00 0.00 N ATOM 0 H LYS A 11 115.111 -15.086 12.093 1.00 0.00 H new ATOM 0 HA LYS A 11 116.984 -16.475 10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 11 115.105 -18.155 10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 11 115.437 -17.685 11.904 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.549 -16.085 11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.260 -16.408 10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 11 111.689 -17.740 11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.791 -18.815 10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 11 113.562 -17.841 13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.338 -19.088 13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 113.961 -20.558 13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 114.388 -19.782 11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 115.137 -19.334 13.032 1.00 0.00 H new ATOM 152 N GLN A 12 114.593 -15.053 8.727 1.00 0.00 N ATOM 153 CA GLN A 12 114.301 -14.753 7.300 1.00 0.00 C ATOM 154 C GLN A 12 115.534 -14.079 6.692 1.00 0.00 C ATOM 155 O GLN A 12 115.882 -14.303 5.555 1.00 0.00 O ATOM 156 CB GLN A 12 113.072 -13.851 7.165 1.00 0.00 C ATOM 157 CG GLN A 12 113.211 -12.637 8.076 1.00 0.00 C ATOM 158 CD GLN A 12 111.976 -11.749 7.920 1.00 0.00 C ATOM 159 OE1 GLN A 12 112.061 -10.545 8.041 1.00 0.00 O ATOM 160 NE2 GLN A 12 110.820 -12.299 7.659 1.00 0.00 N ATOM 0 H GLN A 12 113.979 -14.616 9.415 1.00 0.00 H new ATOM 0 HA GLN A 12 114.079 -15.679 6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 12 112.960 -13.528 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 12 112.172 -14.409 7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 12 113.316 -12.955 9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 12 114.111 -12.077 7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 12 110.748 -13.311 7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 12 109.989 -11.716 7.557 1.00 0.00 H new ATOM 169 N VAL A 13 116.233 -13.281 7.439 1.00 0.00 N ATOM 170 CA VAL A 13 117.456 -12.665 6.860 1.00 0.00 C ATOM 171 C VAL A 13 118.402 -13.796 6.456 1.00 0.00 C ATOM 172 O VAL A 13 119.153 -13.684 5.511 1.00 0.00 O ATOM 173 CB VAL A 13 118.131 -11.748 7.887 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.430 -11.188 7.298 1.00 0.00 C ATOM 175 CG2 VAL A 13 117.189 -10.589 8.239 1.00 0.00 C ATOM 0 H VAL A 13 116.020 -13.031 8.405 1.00 0.00 H new ATOM 0 HA VAL A 13 117.198 -12.058 5.992 1.00 0.00 H new ATOM 0 HB VAL A 13 118.356 -12.319 8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 13 119.909 -10.536 8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 13 120.101 -12.010 7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 13 119.205 -10.619 6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 13 117.670 -9.938 8.969 1.00 0.00 H new ATOM 0 HG22 VAL A 13 116.962 -10.019 7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 13 116.265 -10.986 8.660 1.00 0.00 H new ATOM 185 N ARG A 14 118.379 -14.891 7.164 1.00 0.00 N ATOM 186 CA ARG A 14 119.284 -16.016 6.799 1.00 0.00 C ATOM 187 C ARG A 14 118.994 -16.462 5.365 1.00 0.00 C ATOM 188 O ARG A 14 119.906 -16.699 4.597 1.00 0.00 O ATOM 189 CB ARG A 14 119.064 -17.192 7.755 1.00 0.00 C ATOM 190 CG ARG A 14 120.158 -18.239 7.536 1.00 0.00 C ATOM 191 CD ARG A 14 119.939 -19.416 8.492 1.00 0.00 C ATOM 192 NE ARG A 14 120.020 -18.936 9.902 1.00 0.00 N ATOM 193 CZ ARG A 14 121.177 -18.841 10.502 1.00 0.00 C ATOM 194 NH1 ARG A 14 122.280 -18.900 9.806 1.00 0.00 N ATOM 195 NH2 ARG A 14 121.230 -18.688 11.796 1.00 0.00 N ATOM 0 H ARG A 14 117.779 -15.055 7.972 1.00 0.00 H new ATOM 0 HA ARG A 14 120.319 -15.682 6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 14 119.081 -16.843 8.788 1.00 0.00 H new ATOM 0 HB3 ARG A 14 118.083 -17.635 7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 14 120.141 -18.588 6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 14 121.139 -17.796 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 14 118.966 -19.872 8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 14 120.690 -20.186 8.315 1.00 0.00 H new ATOM 0 HE ARG A 14 119.168 -18.681 10.401 1.00 0.00 H new ATOM 0 HH11 ARG A 14 122.239 -19.020 8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 14 123.183 -18.826 10.274 1.00 0.00 H new ATOM 0 HH21 ARG A 14 120.368 -18.642 12.340 1.00 0.00 H new ATOM 0 HH22 ARG A 14 122.133 -18.614 12.264 1.00 0.00 H new ATOM 209 N GLN A 15 117.748 -16.583 4.975 1.00 0.00 N ATOM 210 CA GLN A 15 117.489 -17.018 3.575 1.00 0.00 C ATOM 211 C GLN A 15 118.028 -15.967 2.592 1.00 0.00 C ATOM 212 O GLN A 15 118.341 -16.286 1.462 1.00 0.00 O ATOM 213 CB GLN A 15 115.997 -17.308 3.319 1.00 0.00 C ATOM 214 CG GLN A 15 115.125 -16.112 3.689 1.00 0.00 C ATOM 215 CD GLN A 15 113.764 -16.216 2.991 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.604 -16.968 2.049 1.00 0.00 O ATOM 217 NE2 GLN A 15 112.769 -15.490 3.422 1.00 0.00 N ATOM 0 H GLN A 15 116.924 -16.405 5.549 1.00 0.00 H new ATOM 0 HA GLN A 15 118.018 -17.958 3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 15 115.848 -17.557 2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.689 -18.178 3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.986 -16.074 4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.622 -15.186 3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 15 112.903 -14.859 4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 15 111.857 -15.554 2.969 1.00 0.00 H new ATOM 226 N LEU A 16 118.169 -14.719 2.995 1.00 0.00 N ATOM 227 CA LEU A 16 118.722 -13.714 2.026 1.00 0.00 C ATOM 228 C LEU A 16 120.173 -14.103 1.712 1.00 0.00 C ATOM 229 O LEU A 16 120.583 -14.140 0.569 1.00 0.00 O ATOM 230 CB LEU A 16 118.697 -12.287 2.620 1.00 0.00 C ATOM 231 CG LEU A 16 117.347 -11.598 2.343 1.00 0.00 C ATOM 232 CD1 LEU A 16 116.219 -12.231 3.191 1.00 0.00 C ATOM 233 CD2 LEU A 16 117.486 -10.102 2.668 1.00 0.00 C ATOM 0 H LEU A 16 117.933 -14.363 3.922 1.00 0.00 H new ATOM 0 HA LEU A 16 118.109 -13.714 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 16 118.872 -12.333 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.506 -11.696 2.191 1.00 0.00 H new ATOM 0 HG LEU A 16 117.082 -11.728 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 16 115.276 -11.727 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 16 116.129 -13.289 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 16 116.456 -12.124 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 16 116.538 -9.599 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 16 117.756 -9.981 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 16 118.262 -9.664 2.041 1.00 0.00 H new ATOM 245 N TYR A 17 120.946 -14.412 2.718 1.00 0.00 N ATOM 246 CA TYR A 17 122.359 -14.818 2.476 1.00 0.00 C ATOM 247 C TYR A 17 122.368 -16.069 1.591 1.00 0.00 C ATOM 248 O TYR A 17 123.198 -16.224 0.718 1.00 0.00 O ATOM 249 CB TYR A 17 123.043 -15.141 3.813 1.00 0.00 C ATOM 250 CG TYR A 17 123.475 -13.869 4.513 1.00 0.00 C ATOM 251 CD1 TYR A 17 124.725 -13.307 4.225 1.00 0.00 C ATOM 252 CD2 TYR A 17 122.641 -13.267 5.464 1.00 0.00 C ATOM 253 CE1 TYR A 17 125.140 -12.143 4.885 1.00 0.00 C ATOM 254 CE2 TYR A 17 123.059 -12.105 6.127 1.00 0.00 C ATOM 255 CZ TYR A 17 124.308 -11.543 5.836 1.00 0.00 C ATOM 256 OH TYR A 17 124.722 -10.404 6.494 1.00 0.00 O ATOM 0 H TYR A 17 120.659 -14.401 3.697 1.00 0.00 H new ATOM 0 HA TYR A 17 122.895 -14.005 1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.359 -15.699 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 17 123.910 -15.779 3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 17 125.370 -13.771 3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 17 121.676 -13.698 5.686 1.00 0.00 H new ATOM 0 HE1 TYR A 17 126.103 -11.709 4.659 1.00 0.00 H new ATOM 0 HE2 TYR A 17 122.417 -11.643 6.863 1.00 0.00 H new ATOM 0 HH TYR A 17 124.025 -10.116 7.120 1.00 0.00 H new ATOM 266 N GLU A 18 121.461 -16.974 1.838 1.00 0.00 N ATOM 267 CA GLU A 18 121.418 -18.242 1.043 1.00 0.00 C ATOM 268 C GLU A 18 121.034 -17.979 -0.422 1.00 0.00 C ATOM 269 O GLU A 18 121.044 -18.884 -1.234 1.00 0.00 O ATOM 270 CB GLU A 18 120.397 -19.199 1.666 1.00 0.00 C ATOM 271 CG GLU A 18 120.837 -19.577 3.084 1.00 0.00 C ATOM 272 CD GLU A 18 122.146 -20.369 3.027 1.00 0.00 C ATOM 273 OE1 GLU A 18 122.266 -21.215 2.155 1.00 0.00 O ATOM 274 OE2 GLU A 18 123.006 -20.116 3.855 1.00 0.00 O ATOM 0 H GLU A 18 120.743 -16.893 2.558 1.00 0.00 H new ATOM 0 HA GLU A 18 122.414 -18.683 1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.414 -18.729 1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.304 -20.096 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 18 120.971 -18.678 3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 18 120.062 -20.171 3.569 1.00 0.00 H new ATOM 281 N ILE A 19 120.698 -16.769 -0.784 1.00 0.00 N ATOM 282 CA ILE A 19 120.327 -16.513 -2.210 1.00 0.00 C ATOM 283 C ILE A 19 121.456 -17.006 -3.122 1.00 0.00 C ATOM 284 O ILE A 19 121.215 -17.563 -4.175 1.00 0.00 O ATOM 285 CB ILE A 19 120.088 -15.013 -2.430 1.00 0.00 C ATOM 286 CG1 ILE A 19 118.799 -14.604 -1.712 1.00 0.00 C ATOM 287 CG2 ILE A 19 119.950 -14.718 -3.928 1.00 0.00 C ATOM 288 CD1 ILE A 19 118.696 -13.077 -1.659 1.00 0.00 C ATOM 0 H ILE A 19 120.664 -15.958 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 19 119.409 -17.050 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 19 120.932 -14.450 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 19 117.935 -15.018 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 19 118.789 -15.013 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 19 119.781 -13.651 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 19 120.864 -15.014 -4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.107 -15.278 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 19 117.777 -12.792 -1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.552 -12.673 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 19 118.685 -12.678 -2.673 1.00 0.00 H new ATOM 300 N ASN A 20 122.684 -16.818 -2.725 1.00 0.00 N ATOM 301 CA ASN A 20 123.818 -17.290 -3.567 1.00 0.00 C ATOM 302 C ASN A 20 125.118 -17.171 -2.778 1.00 0.00 C ATOM 303 O ASN A 20 125.153 -16.625 -1.693 1.00 0.00 O ATOM 304 CB ASN A 20 123.919 -16.444 -4.837 1.00 0.00 C ATOM 305 CG ASN A 20 124.926 -17.084 -5.794 1.00 0.00 C ATOM 306 OD1 ASN A 20 125.813 -16.421 -6.294 1.00 0.00 O ATOM 307 ND2 ASN A 20 124.831 -18.357 -6.069 1.00 0.00 N ATOM 0 H ASN A 20 122.951 -16.358 -1.854 1.00 0.00 H new ATOM 0 HA ASN A 20 123.646 -18.330 -3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 20 122.943 -16.369 -5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 20 124.231 -15.430 -4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 20 125.501 -18.793 -6.703 1.00 0.00 H new ATOM 0 HD22 ASN A 20 124.087 -18.915 -5.650 1.00 0.00 H new ATOM 314 N ASP A 21 126.190 -17.681 -3.317 1.00 0.00 N ATOM 315 CA ASP A 21 127.499 -17.609 -2.606 1.00 0.00 C ATOM 316 C ASP A 21 128.241 -16.352 -3.058 1.00 0.00 C ATOM 317 O ASP A 21 129.432 -16.217 -2.861 1.00 0.00 O ATOM 318 CB ASP A 21 128.333 -18.847 -2.952 1.00 0.00 C ATOM 319 CG ASP A 21 129.496 -18.973 -1.965 1.00 0.00 C ATOM 320 OD1 ASP A 21 129.769 -18.005 -1.274 1.00 0.00 O ATOM 321 OD2 ASP A 21 130.092 -20.036 -1.916 1.00 0.00 O ATOM 0 H ASP A 21 126.217 -18.147 -4.224 1.00 0.00 H new ATOM 0 HA ASP A 21 127.335 -17.573 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 21 127.710 -19.741 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 21 128.714 -18.769 -3.970 1.00 0.00 H new ATOM 326 N ASP A 22 127.544 -15.428 -3.666 1.00 0.00 N ATOM 327 CA ASP A 22 128.211 -14.180 -4.134 1.00 0.00 C ATOM 328 C ASP A 22 128.926 -13.517 -2.936 1.00 0.00 C ATOM 329 O ASP A 22 128.269 -13.073 -2.017 1.00 0.00 O ATOM 330 CB ASP A 22 127.145 -13.220 -4.673 1.00 0.00 C ATOM 331 CG ASP A 22 127.818 -12.114 -5.491 1.00 0.00 C ATOM 332 OD1 ASP A 22 129.019 -11.950 -5.353 1.00 0.00 O ATOM 333 OD2 ASP A 22 127.120 -11.450 -6.240 1.00 0.00 O ATOM 0 H ASP A 22 126.544 -15.484 -3.858 1.00 0.00 H new ATOM 0 HA ASP A 22 128.933 -14.412 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.432 -13.763 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 22 126.582 -12.785 -3.847 1.00 0.00 H new ATOM 338 N PRO A 23 130.249 -13.434 -2.914 1.00 0.00 N ATOM 339 CA PRO A 23 130.928 -12.794 -1.754 1.00 0.00 C ATOM 340 C PRO A 23 130.534 -11.317 -1.604 1.00 0.00 C ATOM 341 O PRO A 23 130.442 -10.800 -0.510 1.00 0.00 O ATOM 342 CB PRO A 23 132.428 -12.952 -2.095 1.00 0.00 C ATOM 343 CG PRO A 23 132.552 -13.682 -3.448 1.00 0.00 C ATOM 344 CD PRO A 23 131.139 -13.952 -3.997 1.00 0.00 C ATOM 0 HA PRO A 23 130.656 -13.248 -0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 23 132.909 -11.975 -2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 23 132.936 -13.516 -1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.121 -13.076 -4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.094 -14.619 -3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 23 130.968 -13.435 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 23 130.974 -15.014 -4.181 1.00 0.00 H new ATOM 352 N LYS A 24 130.306 -10.636 -2.691 1.00 0.00 N ATOM 353 CA LYS A 24 129.933 -9.196 -2.599 1.00 0.00 C ATOM 354 C LYS A 24 128.638 -9.043 -1.796 1.00 0.00 C ATOM 355 O LYS A 24 128.554 -8.234 -0.894 1.00 0.00 O ATOM 356 CB LYS A 24 129.738 -8.630 -4.008 1.00 0.00 C ATOM 357 CG LYS A 24 129.420 -7.135 -3.916 1.00 0.00 C ATOM 358 CD LYS A 24 129.281 -6.551 -5.325 1.00 0.00 C ATOM 359 CE LYS A 24 128.963 -5.052 -5.238 1.00 0.00 C ATOM 360 NZ LYS A 24 129.417 -4.378 -6.487 1.00 0.00 N ATOM 0 H LYS A 24 130.361 -11.012 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 24 130.729 -8.649 -2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 24 130.638 -8.786 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 24 128.928 -9.155 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 24 128.497 -6.983 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 24 130.211 -6.617 -3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 24 130.204 -6.704 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 24 128.490 -7.069 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 24 127.892 -4.903 -5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 24 129.460 -4.613 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 129.203 -3.362 -6.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 130.442 -4.510 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 128.923 -4.791 -7.304 1.00 0.00 H new ATOM 374 N ARG A 25 127.630 -9.812 -2.105 1.00 0.00 N ATOM 375 CA ARG A 25 126.355 -9.697 -1.343 1.00 0.00 C ATOM 376 C ARG A 25 126.635 -10.001 0.129 1.00 0.00 C ATOM 377 O ARG A 25 126.194 -9.296 1.015 1.00 0.00 O ATOM 378 CB ARG A 25 125.343 -10.709 -1.893 1.00 0.00 C ATOM 379 CG ARG A 25 124.009 -10.605 -1.133 1.00 0.00 C ATOM 380 CD ARG A 25 123.077 -11.745 -1.561 1.00 0.00 C ATOM 381 NE ARG A 25 123.427 -12.983 -0.799 1.00 0.00 N ATOM 382 CZ ARG A 25 124.316 -13.819 -1.267 1.00 0.00 C ATOM 383 NH1 ARG A 25 124.103 -14.433 -2.399 1.00 0.00 N ATOM 384 NH2 ARG A 25 125.417 -14.041 -0.603 1.00 0.00 N ATOM 0 H ARG A 25 127.634 -10.511 -2.848 1.00 0.00 H new ATOM 0 HA ARG A 25 125.948 -8.691 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.178 -10.527 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 25 125.743 -11.719 -1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.187 -10.653 -0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 25 123.539 -9.643 -1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 25 122.039 -11.471 -1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 25 123.172 -11.925 -2.632 1.00 0.00 H new ATOM 0 HE ARG A 25 122.969 -13.176 0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 25 123.242 -14.260 -2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 25 124.797 -15.085 -2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 25 125.584 -13.562 0.282 1.00 0.00 H new ATOM 0 HH22 ARG A 25 126.110 -14.694 -0.969 1.00 0.00 H new ATOM 398 N LYS A 26 127.367 -11.048 0.395 1.00 0.00 N ATOM 399 CA LYS A 26 127.676 -11.398 1.806 1.00 0.00 C ATOM 400 C LYS A 26 128.427 -10.237 2.451 1.00 0.00 C ATOM 401 O LYS A 26 128.102 -9.805 3.538 1.00 0.00 O ATOM 402 CB LYS A 26 128.540 -12.662 1.837 1.00 0.00 C ATOM 403 CG LYS A 26 128.846 -13.052 3.285 1.00 0.00 C ATOM 404 CD LYS A 26 129.698 -14.323 3.296 1.00 0.00 C ATOM 405 CE LYS A 26 130.124 -14.644 4.730 1.00 0.00 C ATOM 406 NZ LYS A 26 130.853 -15.945 4.751 1.00 0.00 N ATOM 0 H LYS A 26 127.763 -11.675 -0.305 1.00 0.00 H new ATOM 0 HA LYS A 26 126.754 -11.584 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.022 -13.479 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.469 -12.491 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.374 -12.242 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 26 127.918 -13.217 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 26 129.132 -15.156 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.577 -14.189 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 26 130.763 -13.850 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 26 129.249 -14.694 5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 131.143 -16.165 5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 130.229 -16.698 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 131.696 -15.881 4.145 1.00 0.00 H new ATOM 420 N GLU A 27 129.421 -9.718 1.784 1.00 0.00 N ATOM 421 CA GLU A 27 130.182 -8.572 2.353 1.00 0.00 C ATOM 422 C GLU A 27 129.234 -7.389 2.570 1.00 0.00 C ATOM 423 O GLU A 27 129.328 -6.673 3.545 1.00 0.00 O ATOM 424 CB GLU A 27 131.302 -8.163 1.394 1.00 0.00 C ATOM 425 CG GLU A 27 132.392 -9.237 1.394 1.00 0.00 C ATOM 426 CD GLU A 27 133.476 -8.865 0.381 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.474 -7.731 -0.068 1.00 0.00 O ATOM 428 OE2 GLU A 27 134.293 -9.718 0.078 1.00 0.00 O ATOM 0 H GLU A 27 129.739 -10.039 0.869 1.00 0.00 H new ATOM 0 HA GLU A 27 130.620 -8.869 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 27 130.904 -8.034 0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 27 131.722 -7.204 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 27 132.826 -9.329 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 27 131.962 -10.207 1.143 1.00 0.00 H new ATOM 435 N PHE A 28 128.338 -7.165 1.653 1.00 0.00 N ATOM 436 CA PHE A 28 127.399 -6.017 1.797 1.00 0.00 C ATOM 437 C PHE A 28 126.461 -6.199 3.002 1.00 0.00 C ATOM 438 O PHE A 28 126.301 -5.302 3.807 1.00 0.00 O ATOM 439 CB PHE A 28 126.547 -5.893 0.529 1.00 0.00 C ATOM 440 CG PHE A 28 125.506 -4.817 0.739 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.322 -5.128 1.414 1.00 0.00 C ATOM 442 CD2 PHE A 28 125.732 -3.511 0.290 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.363 -4.142 1.639 1.00 0.00 C ATOM 444 CE2 PHE A 28 124.772 -2.519 0.521 1.00 0.00 C ATOM 445 CZ PHE A 28 123.586 -2.837 1.195 1.00 0.00 C ATOM 0 H PHE A 28 128.214 -7.726 0.810 1.00 0.00 H new ATOM 0 HA PHE A 28 127.995 -5.118 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.177 -5.646 -0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.065 -6.845 0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.150 -6.136 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.645 -3.269 -0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.447 -4.387 2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.946 -1.509 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.844 -2.073 1.371 1.00 0.00 H new ATOM 455 N LEU A 29 125.793 -7.320 3.111 1.00 0.00 N ATOM 456 CA LEU A 29 124.825 -7.485 4.238 1.00 0.00 C ATOM 457 C LEU A 29 125.535 -7.361 5.591 1.00 0.00 C ATOM 458 O LEU A 29 125.134 -6.577 6.429 1.00 0.00 O ATOM 459 CB LEU A 29 124.132 -8.857 4.141 1.00 0.00 C ATOM 460 CG LEU A 29 123.200 -8.906 2.907 1.00 0.00 C ATOM 461 CD1 LEU A 29 122.982 -10.361 2.471 1.00 0.00 C ATOM 462 CD2 LEU A 29 121.829 -8.285 3.240 1.00 0.00 C ATOM 0 H LEU A 29 125.874 -8.117 2.479 1.00 0.00 H new ATOM 0 HA LEU A 29 124.078 -6.694 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 29 124.881 -9.645 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.556 -9.045 5.047 1.00 0.00 H new ATOM 0 HG LEU A 29 123.672 -8.340 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.325 -10.386 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 29 123.941 -10.811 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.525 -10.921 3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.187 -8.328 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.366 -8.841 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 29 121.964 -7.246 3.540 1.00 0.00 H new ATOM 474 N ASP A 30 126.586 -8.098 5.828 1.00 0.00 N ATOM 475 CA ASP A 30 127.270 -7.967 7.147 1.00 0.00 C ATOM 476 C ASP A 30 127.724 -6.518 7.320 1.00 0.00 C ATOM 477 O ASP A 30 127.706 -5.980 8.409 1.00 0.00 O ATOM 478 CB ASP A 30 128.471 -8.915 7.230 1.00 0.00 C ATOM 479 CG ASP A 30 129.535 -8.483 6.230 1.00 0.00 C ATOM 480 OD1 ASP A 30 129.214 -8.418 5.063 1.00 0.00 O ATOM 481 OD2 ASP A 30 130.650 -8.224 6.651 1.00 0.00 O ATOM 0 H ASP A 30 126.995 -8.772 5.181 1.00 0.00 H new ATOM 0 HA ASP A 30 126.578 -8.236 7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.883 -8.909 8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 30 128.155 -9.937 7.021 1.00 0.00 H new ATOM 486 N ASP A 31 128.118 -5.875 6.253 1.00 0.00 N ATOM 487 CA ASP A 31 128.556 -4.456 6.365 1.00 0.00 C ATOM 488 C ASP A 31 127.339 -3.580 6.689 1.00 0.00 C ATOM 489 O ASP A 31 127.341 -2.838 7.651 1.00 0.00 O ATOM 490 CB ASP A 31 129.174 -4.004 5.041 1.00 0.00 C ATOM 491 CG ASP A 31 129.837 -2.637 5.225 1.00 0.00 C ATOM 492 OD1 ASP A 31 129.584 -2.012 6.242 1.00 0.00 O ATOM 493 OD2 ASP A 31 130.587 -2.241 4.348 1.00 0.00 O ATOM 0 H ASP A 31 128.155 -6.270 5.313 1.00 0.00 H new ATOM 0 HA ASP A 31 129.298 -4.362 7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 31 129.910 -4.734 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 31 128.406 -3.946 4.270 1.00 0.00 H new ATOM 498 N LEU A 32 126.292 -3.670 5.906 1.00 0.00 N ATOM 499 CA LEU A 32 125.077 -2.849 6.196 1.00 0.00 C ATOM 500 C LEU A 32 124.537 -3.207 7.583 1.00 0.00 C ATOM 501 O LEU A 32 124.273 -2.343 8.394 1.00 0.00 O ATOM 502 CB LEU A 32 124.002 -3.083 5.112 1.00 0.00 C ATOM 503 CG LEU A 32 122.639 -2.517 5.560 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.757 -1.033 5.911 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.632 -2.672 4.423 1.00 0.00 C ATOM 0 H LEU A 32 126.226 -4.272 5.085 1.00 0.00 H new ATOM 0 HA LEU A 32 125.344 -1.792 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.309 -2.608 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.909 -4.150 4.910 1.00 0.00 H new ATOM 0 HG LEU A 32 122.309 -3.066 6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.784 -0.655 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.474 -0.907 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.098 -0.478 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.667 -2.273 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 32 121.984 -2.126 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.525 -3.728 4.173 1.00 0.00 H new ATOM 517 N PHE A 33 124.357 -4.468 7.871 1.00 0.00 N ATOM 518 CA PHE A 33 123.821 -4.830 9.213 1.00 0.00 C ATOM 519 C PHE A 33 124.751 -4.291 10.298 1.00 0.00 C ATOM 520 O PHE A 33 124.303 -3.771 11.293 1.00 0.00 O ATOM 521 CB PHE A 33 123.713 -6.362 9.352 1.00 0.00 C ATOM 522 CG PHE A 33 122.443 -6.857 8.692 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.198 -6.489 9.220 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.506 -7.679 7.560 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.021 -6.943 8.612 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.330 -8.128 6.954 1.00 0.00 C ATOM 527 CZ PHE A 33 120.089 -7.762 7.478 1.00 0.00 C ATOM 0 H PHE A 33 124.554 -5.250 7.247 1.00 0.00 H new ATOM 0 HA PHE A 33 122.829 -4.391 9.324 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.580 -6.838 8.894 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.717 -6.640 10.406 1.00 0.00 H new ATOM 0 HD1 PHE A 33 121.146 -5.857 10.094 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.465 -7.966 7.155 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.061 -6.661 9.018 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.381 -8.759 6.079 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.181 -8.111 7.009 1.00 0.00 H new ATOM 537 N SER A 34 126.035 -4.397 10.120 1.00 0.00 N ATOM 538 CA SER A 34 126.961 -3.890 11.169 1.00 0.00 C ATOM 539 C SER A 34 126.739 -2.391 11.381 1.00 0.00 C ATOM 540 O SER A 34 126.697 -1.914 12.497 1.00 0.00 O ATOM 541 CB SER A 34 128.406 -4.130 10.730 1.00 0.00 C ATOM 542 OG SER A 34 128.699 -3.306 9.610 1.00 0.00 O ATOM 0 H SER A 34 126.482 -4.809 9.301 1.00 0.00 H new ATOM 0 HA SER A 34 126.767 -4.418 12.103 1.00 0.00 H new ATOM 0 HB2 SER A 34 129.089 -3.906 11.549 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.550 -5.179 10.472 1.00 0.00 H new ATOM 0 HG SER A 34 127.952 -3.337 8.977 1.00 0.00 H new ATOM 548 N PHE A 35 126.605 -1.642 10.324 1.00 0.00 N ATOM 549 CA PHE A 35 126.396 -0.174 10.477 1.00 0.00 C ATOM 550 C PHE A 35 125.120 0.119 11.280 1.00 0.00 C ATOM 551 O PHE A 35 125.166 0.725 12.331 1.00 0.00 O ATOM 552 CB PHE A 35 126.277 0.451 9.086 1.00 0.00 C ATOM 553 CG PHE A 35 126.036 1.934 9.215 1.00 0.00 C ATOM 554 CD1 PHE A 35 127.118 2.819 9.260 1.00 0.00 C ATOM 555 CD2 PHE A 35 124.726 2.424 9.287 1.00 0.00 C ATOM 556 CE1 PHE A 35 126.893 4.195 9.378 1.00 0.00 C ATOM 557 CE2 PHE A 35 124.501 3.800 9.405 1.00 0.00 C ATOM 558 CZ PHE A 35 125.583 4.686 9.450 1.00 0.00 C ATOM 0 H PHE A 35 126.631 -1.980 9.362 1.00 0.00 H new ATOM 0 HA PHE A 35 127.243 0.251 11.016 1.00 0.00 H new ATOM 0 HB2 PHE A 35 127.188 0.269 8.516 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.459 -0.014 8.536 1.00 0.00 H new ATOM 0 HD1 PHE A 35 128.128 2.440 9.204 1.00 0.00 H new ATOM 0 HD2 PHE A 35 123.890 1.741 9.251 1.00 0.00 H new ATOM 0 HE1 PHE A 35 127.729 4.878 9.414 1.00 0.00 H new ATOM 0 HE2 PHE A 35 123.491 4.179 9.461 1.00 0.00 H new ATOM 0 HZ PHE A 35 125.408 5.748 9.540 1.00 0.00 H new ATOM 568 N MET A 36 123.981 -0.288 10.785 1.00 0.00 N ATOM 569 CA MET A 36 122.704 -0.009 11.514 1.00 0.00 C ATOM 570 C MET A 36 122.588 -0.865 12.786 1.00 0.00 C ATOM 571 O MET A 36 121.846 -0.544 13.694 1.00 0.00 O ATOM 572 CB MET A 36 121.516 -0.269 10.583 1.00 0.00 C ATOM 573 CG MET A 36 121.254 -1.778 10.431 1.00 0.00 C ATOM 574 SD MET A 36 120.293 -2.408 11.838 1.00 0.00 S ATOM 575 CE MET A 36 118.802 -1.407 11.602 1.00 0.00 C ATOM 0 H MET A 36 123.877 -0.801 9.909 1.00 0.00 H new ATOM 0 HA MET A 36 122.702 1.037 11.821 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.626 0.220 10.978 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.713 0.170 9.605 1.00 0.00 H new ATOM 0 HG2 MET A 36 120.715 -1.967 9.503 1.00 0.00 H new ATOM 0 HG3 MET A 36 122.202 -2.312 10.364 1.00 0.00 H new ATOM 0 HE1 MET A 36 117.939 -1.941 12.000 1.00 0.00 H new ATOM 0 HE2 MET A 36 118.915 -0.457 12.125 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.654 -1.220 10.538 1.00 0.00 H new ATOM 585 N GLN A 37 123.296 -1.956 12.848 1.00 0.00 N ATOM 586 CA GLN A 37 123.216 -2.849 14.051 1.00 0.00 C ATOM 587 C GLN A 37 123.361 -2.027 15.335 1.00 0.00 C ATOM 588 O GLN A 37 123.172 -2.539 16.421 1.00 0.00 O ATOM 589 CB GLN A 37 124.312 -3.933 13.983 1.00 0.00 C ATOM 590 CG GLN A 37 124.543 -4.572 15.359 1.00 0.00 C ATOM 591 CD GLN A 37 125.407 -5.823 15.198 1.00 0.00 C ATOM 592 OE1 GLN A 37 125.689 -6.243 14.093 1.00 0.00 O ATOM 593 NE2 GLN A 37 125.841 -6.442 16.261 1.00 0.00 N ATOM 0 H GLN A 37 123.932 -2.275 12.117 1.00 0.00 H new ATOM 0 HA GLN A 37 122.241 -3.337 14.059 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.024 -4.701 13.266 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.242 -3.493 13.622 1.00 0.00 H new ATOM 0 HG2 GLN A 37 125.033 -3.861 16.025 1.00 0.00 H new ATOM 0 HG3 GLN A 37 123.588 -4.832 15.817 1.00 0.00 H new ATOM 0 HE21 GLN A 37 125.604 -6.090 17.189 1.00 0.00 H new ATOM 0 HE22 GLN A 37 126.417 -7.278 16.165 1.00 0.00 H new ATOM 602 N LYS A 38 123.693 -0.768 15.235 1.00 0.00 N ATOM 603 CA LYS A 38 123.845 0.054 16.472 1.00 0.00 C ATOM 604 C LYS A 38 122.639 -0.195 17.384 1.00 0.00 C ATOM 605 O LYS A 38 122.774 -0.323 18.585 1.00 0.00 O ATOM 606 CB LYS A 38 123.916 1.534 16.096 1.00 0.00 C ATOM 607 CG LYS A 38 124.080 2.375 17.365 1.00 0.00 C ATOM 608 CD LYS A 38 124.461 3.811 16.991 1.00 0.00 C ATOM 609 CE LYS A 38 123.339 4.458 16.173 1.00 0.00 C ATOM 610 NZ LYS A 38 123.440 4.014 14.753 1.00 0.00 N ATOM 0 H LYS A 38 123.865 -0.276 14.358 1.00 0.00 H new ATOM 0 HA LYS A 38 124.761 -0.223 16.993 1.00 0.00 H new ATOM 0 HB2 LYS A 38 124.753 1.709 15.420 1.00 0.00 H new ATOM 0 HB3 LYS A 38 123.011 1.829 15.565 1.00 0.00 H new ATOM 0 HG2 LYS A 38 123.152 2.372 17.936 1.00 0.00 H new ATOM 0 HG3 LYS A 38 124.849 1.940 18.004 1.00 0.00 H new ATOM 0 HD2 LYS A 38 124.645 4.393 17.894 1.00 0.00 H new ATOM 0 HD3 LYS A 38 125.387 3.812 16.416 1.00 0.00 H new ATOM 0 HE2 LYS A 38 122.368 4.180 16.584 1.00 0.00 H new ATOM 0 HE3 LYS A 38 123.411 5.544 16.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 123.389 4.842 14.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 124.345 3.524 14.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 122.656 3.366 14.535 1.00 0.00 H new ATOM 624 N ARG A 39 121.464 -0.304 16.821 1.00 0.00 N ATOM 625 CA ARG A 39 120.269 -0.591 17.661 1.00 0.00 C ATOM 626 C ARG A 39 120.406 -2.020 18.197 1.00 0.00 C ATOM 627 O ARG A 39 120.106 -2.295 19.343 1.00 0.00 O ATOM 628 CB ARG A 39 118.992 -0.466 16.816 1.00 0.00 C ATOM 629 CG ARG A 39 118.860 0.959 16.248 1.00 0.00 C ATOM 630 CD ARG A 39 118.261 1.910 17.294 1.00 0.00 C ATOM 631 NE ARG A 39 116.784 1.724 17.340 1.00 0.00 N ATOM 632 CZ ARG A 39 116.026 2.638 17.882 1.00 0.00 C ATOM 633 NH1 ARG A 39 116.278 3.902 17.676 1.00 0.00 N ATOM 634 NH2 ARG A 39 115.016 2.287 18.630 1.00 0.00 N ATOM 0 H ARG A 39 121.283 -0.207 15.822 1.00 0.00 H new ATOM 0 HA ARG A 39 120.203 0.119 18.485 1.00 0.00 H new ATOM 0 HB2 ARG A 39 119.016 -1.188 16.000 1.00 0.00 H new ATOM 0 HB3 ARG A 39 118.120 -0.703 17.426 1.00 0.00 H new ATOM 0 HG2 ARG A 39 119.839 1.323 15.937 1.00 0.00 H new ATOM 0 HG3 ARG A 39 118.229 0.944 15.360 1.00 0.00 H new ATOM 0 HD2 ARG A 39 118.695 1.711 18.274 1.00 0.00 H new ATOM 0 HD3 ARG A 39 118.501 2.943 17.043 1.00 0.00 H new ATOM 0 HE ARG A 39 116.364 0.881 16.947 1.00 0.00 H new ATOM 0 HH11 ARG A 39 117.068 4.176 17.091 1.00 0.00 H new ATOM 0 HH12 ARG A 39 115.685 4.616 18.100 1.00 0.00 H new ATOM 0 HH21 ARG A 39 114.819 1.299 18.791 1.00 0.00 H new ATOM 0 HH22 ARG A 39 114.423 3.001 19.054 1.00 0.00 H new ATOM 648 N GLY A 40 120.889 -2.926 17.373 1.00 0.00 N ATOM 649 CA GLY A 40 121.094 -4.347 17.814 1.00 0.00 C ATOM 650 C GLY A 40 120.194 -5.311 17.030 1.00 0.00 C ATOM 651 O GLY A 40 120.389 -6.510 17.077 1.00 0.00 O ATOM 0 H GLY A 40 121.152 -2.739 16.405 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.138 -4.626 17.674 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.881 -4.433 18.880 1.00 0.00 H new ATOM 655 N THR A 41 119.210 -4.812 16.316 1.00 0.00 N ATOM 656 CA THR A 41 118.293 -5.717 15.534 1.00 0.00 C ATOM 657 C THR A 41 118.487 -5.495 14.023 1.00 0.00 C ATOM 658 O THR A 41 118.937 -4.446 13.606 1.00 0.00 O ATOM 659 CB THR A 41 116.834 -5.402 15.934 1.00 0.00 C ATOM 660 OG1 THR A 41 116.745 -4.040 16.327 1.00 0.00 O ATOM 661 CG2 THR A 41 116.404 -6.292 17.108 1.00 0.00 C ATOM 0 H THR A 41 118.999 -3.817 16.239 1.00 0.00 H new ATOM 0 HA THR A 41 118.523 -6.759 15.758 1.00 0.00 H new ATOM 0 HB THR A 41 116.180 -5.592 15.083 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.821 -3.832 16.581 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.374 -6.061 17.381 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.476 -7.340 16.816 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.056 -6.108 17.962 1.00 0.00 H new ATOM 669 N PRO A 42 118.139 -6.473 13.200 1.00 0.00 N ATOM 670 CA PRO A 42 118.278 -6.323 11.724 1.00 0.00 C ATOM 671 C PRO A 42 117.592 -5.046 11.220 1.00 0.00 C ATOM 672 O PRO A 42 117.260 -4.174 11.991 1.00 0.00 O ATOM 673 CB PRO A 42 117.580 -7.593 11.184 1.00 0.00 C ATOM 674 CG PRO A 42 117.060 -8.416 12.382 1.00 0.00 C ATOM 675 CD PRO A 42 117.599 -7.783 13.675 1.00 0.00 C ATOM 0 HA PRO A 42 119.314 -6.229 11.397 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.755 -7.320 10.526 1.00 0.00 H new ATOM 0 HB3 PRO A 42 118.278 -8.186 10.592 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.970 -8.427 12.390 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.388 -9.452 12.301 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.814 -7.651 14.419 1.00 0.00 H new ATOM 0 HD3 PRO A 42 118.373 -8.397 14.134 1.00 0.00 H new ATOM 683 N ILE A 43 117.368 -4.937 9.935 1.00 0.00 N ATOM 684 CA ILE A 43 116.698 -3.719 9.395 1.00 0.00 C ATOM 685 C ILE A 43 115.301 -3.609 10.018 1.00 0.00 C ATOM 686 O ILE A 43 115.102 -3.956 11.164 1.00 0.00 O ATOM 687 CB ILE A 43 116.618 -3.824 7.852 1.00 0.00 C ATOM 688 CG1 ILE A 43 116.295 -2.426 7.221 1.00 0.00 C ATOM 689 CG2 ILE A 43 115.546 -4.864 7.442 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.462 -1.950 6.341 1.00 0.00 C ATOM 0 H ILE A 43 117.620 -5.638 9.239 1.00 0.00 H new ATOM 0 HA ILE A 43 117.264 -2.822 9.647 1.00 0.00 H new ATOM 0 HB ILE A 43 117.586 -4.154 7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.385 -2.491 6.625 1.00 0.00 H new ATOM 0 HG13 ILE A 43 116.107 -1.699 8.011 1.00 0.00 H new ATOM 0 HG21 ILE A 43 115.499 -4.929 6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 43 115.809 -5.839 7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 43 114.574 -4.557 7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 43 117.221 -0.978 5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 43 118.364 -1.865 6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.630 -2.669 5.540 1.00 0.00 H new ATOM 702 N ASN A 44 114.327 -3.133 9.296 1.00 0.00 N ATOM 703 CA ASN A 44 112.962 -3.016 9.894 1.00 0.00 C ATOM 704 C ASN A 44 112.183 -4.307 9.644 1.00 0.00 C ATOM 705 O ASN A 44 112.082 -5.151 10.512 1.00 0.00 O ATOM 706 CB ASN A 44 112.217 -1.843 9.255 1.00 0.00 C ATOM 707 CG ASN A 44 110.881 -1.649 9.974 1.00 0.00 C ATOM 708 OD1 ASN A 44 110.783 -1.863 11.166 1.00 0.00 O ATOM 709 ND2 ASN A 44 109.839 -1.254 9.296 1.00 0.00 N ATOM 0 H ASN A 44 114.411 -2.822 8.328 1.00 0.00 H new ATOM 0 HA ASN A 44 113.053 -2.845 10.967 1.00 0.00 H new ATOM 0 HB2 ASN A 44 112.816 -0.935 9.323 1.00 0.00 H new ATOM 0 HB3 ASN A 44 112.050 -2.036 8.195 1.00 0.00 H new ATOM 0 HD21 ASN A 44 108.943 -1.125 9.767 1.00 0.00 H new ATOM 0 HD22 ASN A 44 109.920 -1.074 8.295 1.00 0.00 H new ATOM 716 N ARG A 45 111.634 -4.479 8.470 1.00 0.00 N ATOM 717 CA ARG A 45 110.869 -5.730 8.175 1.00 0.00 C ATOM 718 C ARG A 45 111.109 -6.167 6.731 1.00 0.00 C ATOM 719 O ARG A 45 111.255 -5.356 5.836 1.00 0.00 O ATOM 720 CB ARG A 45 109.373 -5.492 8.405 1.00 0.00 C ATOM 721 CG ARG A 45 109.090 -5.447 9.911 1.00 0.00 C ATOM 722 CD ARG A 45 107.591 -5.244 10.153 1.00 0.00 C ATOM 723 NE ARG A 45 107.235 -3.807 9.941 1.00 0.00 N ATOM 724 CZ ARG A 45 107.064 -3.008 10.965 1.00 0.00 C ATOM 725 NH1 ARG A 45 108.079 -2.358 11.462 1.00 0.00 N ATOM 726 NH2 ARG A 45 105.877 -2.864 11.488 1.00 0.00 N ATOM 0 H ARG A 45 111.681 -3.809 7.702 1.00 0.00 H new ATOM 0 HA ARG A 45 111.213 -6.519 8.844 1.00 0.00 H new ATOM 0 HB2 ARG A 45 109.066 -4.556 7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.791 -6.287 7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 45 109.421 -6.374 10.380 1.00 0.00 H new ATOM 0 HG3 ARG A 45 109.655 -4.637 10.372 1.00 0.00 H new ATOM 0 HD2 ARG A 45 107.015 -5.875 9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 45 107.333 -5.547 11.168 1.00 0.00 H new ATOM 0 HE ARG A 45 107.125 -3.447 8.993 1.00 0.00 H new ATOM 0 HH11 ARG A 45 109.007 -2.471 11.054 1.00 0.00 H new ATOM 0 HH12 ARG A 45 107.945 -1.736 12.259 1.00 0.00 H new ATOM 0 HH21 ARG A 45 105.083 -3.373 11.099 1.00 0.00 H new ATOM 0 HH22 ARG A 45 105.743 -2.242 12.285 1.00 0.00 H new ATOM 740 N LEU A 46 111.144 -7.455 6.506 1.00 0.00 N ATOM 741 CA LEU A 46 111.367 -8.003 5.135 1.00 0.00 C ATOM 742 C LEU A 46 110.233 -9.004 4.832 1.00 0.00 C ATOM 743 O LEU A 46 110.297 -10.139 5.262 1.00 0.00 O ATOM 744 CB LEU A 46 112.719 -8.739 5.100 1.00 0.00 C ATOM 745 CG LEU A 46 113.805 -7.908 5.838 1.00 0.00 C ATOM 746 CD1 LEU A 46 113.910 -8.341 7.308 1.00 0.00 C ATOM 747 CD2 LEU A 46 115.169 -8.117 5.168 1.00 0.00 C ATOM 0 H LEU A 46 111.025 -8.164 7.230 1.00 0.00 H new ATOM 0 HA LEU A 46 111.374 -7.201 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.620 -9.718 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 46 113.021 -8.909 4.067 1.00 0.00 H new ATOM 0 HG LEU A 46 113.520 -6.857 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 46 114.676 -7.748 7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 46 112.951 -8.187 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 46 114.178 -9.396 7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.925 -7.531 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 46 115.436 -9.173 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 46 115.116 -7.796 4.128 1.00 0.00 H new ATOM 759 N PRO A 47 109.187 -8.611 4.129 1.00 0.00 N ATOM 760 CA PRO A 47 108.069 -9.556 3.855 1.00 0.00 C ATOM 761 C PRO A 47 108.516 -10.761 3.017 1.00 0.00 C ATOM 762 O PRO A 47 109.496 -10.703 2.299 1.00 0.00 O ATOM 763 CB PRO A 47 107.043 -8.676 3.109 1.00 0.00 C ATOM 764 CG PRO A 47 107.611 -7.246 2.998 1.00 0.00 C ATOM 765 CD PRO A 47 109.044 -7.239 3.559 1.00 0.00 C ATOM 0 HA PRO A 47 107.664 -10.006 4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 47 106.846 -9.083 2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.093 -8.666 3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 47 107.611 -6.919 1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 47 106.985 -6.547 3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.782 -7.047 2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.176 -6.470 4.320 1.00 0.00 H new ATOM 773 N ILE A 48 107.796 -11.851 3.111 1.00 0.00 N ATOM 774 CA ILE A 48 108.154 -13.071 2.335 1.00 0.00 C ATOM 775 C ILE A 48 107.151 -13.235 1.203 1.00 0.00 C ATOM 776 O ILE A 48 105.954 -13.217 1.408 1.00 0.00 O ATOM 777 CB ILE A 48 108.074 -14.299 3.244 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.873 -14.052 4.530 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.648 -15.514 2.510 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.285 -13.561 4.194 1.00 0.00 C ATOM 0 H ILE A 48 106.968 -11.945 3.699 1.00 0.00 H new ATOM 0 HA ILE A 48 109.166 -12.974 1.941 1.00 0.00 H new ATOM 0 HB ILE A 48 107.032 -14.486 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.362 -13.314 5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.930 -14.971 5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.592 -16.390 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.073 -15.696 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.689 -15.323 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.840 -13.390 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.799 -14.313 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.222 -12.630 3.631 1.00 0.00 H new ATOM 792 N MET A 49 107.631 -13.403 0.009 1.00 0.00 N ATOM 793 CA MET A 49 106.715 -13.579 -1.150 1.00 0.00 C ATOM 794 C MET A 49 106.432 -15.063 -1.336 1.00 0.00 C ATOM 795 O MET A 49 107.180 -15.773 -1.972 1.00 0.00 O ATOM 796 CB MET A 49 107.371 -13.009 -2.414 1.00 0.00 C ATOM 797 CG MET A 49 107.197 -11.493 -2.435 1.00 0.00 C ATOM 798 SD MET A 49 108.005 -10.808 -3.902 1.00 0.00 S ATOM 799 CE MET A 49 107.515 -9.085 -3.647 1.00 0.00 C ATOM 0 H MET A 49 108.625 -13.427 -0.218 1.00 0.00 H new ATOM 0 HA MET A 49 105.780 -13.050 -0.968 1.00 0.00 H new ATOM 0 HB2 MET A 49 108.430 -13.265 -2.434 1.00 0.00 H new ATOM 0 HB3 MET A 49 106.919 -13.450 -3.302 1.00 0.00 H new ATOM 0 HG2 MET A 49 106.137 -11.239 -2.439 1.00 0.00 H new ATOM 0 HG3 MET A 49 107.626 -11.055 -1.534 1.00 0.00 H new ATOM 0 HE1 MET A 49 108.198 -8.429 -4.186 1.00 0.00 H new ATOM 0 HE2 MET A 49 106.501 -8.937 -4.017 1.00 0.00 H new ATOM 0 HE3 MET A 49 107.551 -8.850 -2.583 1.00 0.00 H new ATOM 809 N ALA A 50 105.346 -15.523 -0.787 1.00 0.00 N ATOM 810 CA ALA A 50 104.978 -16.960 -0.920 1.00 0.00 C ATOM 811 C ALA A 50 106.212 -17.850 -0.723 1.00 0.00 C ATOM 812 O ALA A 50 106.522 -18.258 0.379 1.00 0.00 O ATOM 813 CB ALA A 50 104.409 -17.182 -2.321 1.00 0.00 C ATOM 0 H ALA A 50 104.690 -14.960 -0.246 1.00 0.00 H new ATOM 0 HA ALA A 50 104.240 -17.220 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 50 104.133 -18.230 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 50 103.527 -16.556 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 50 105.161 -16.919 -3.065 1.00 0.00 H new ATOM 819 N LYS A 51 106.917 -18.151 -1.784 1.00 0.00 N ATOM 820 CA LYS A 51 108.136 -19.012 -1.676 1.00 0.00 C ATOM 821 C LYS A 51 109.382 -18.143 -1.822 1.00 0.00 C ATOM 822 O LYS A 51 110.454 -18.492 -1.369 1.00 0.00 O ATOM 823 CB LYS A 51 108.122 -20.056 -2.793 1.00 0.00 C ATOM 824 CG LYS A 51 109.370 -20.933 -2.676 1.00 0.00 C ATOM 825 CD LYS A 51 109.257 -22.130 -3.627 1.00 0.00 C ATOM 826 CE LYS A 51 109.297 -21.656 -5.086 1.00 0.00 C ATOM 827 NZ LYS A 51 107.941 -21.191 -5.496 1.00 0.00 N ATOM 0 H LYS A 51 106.699 -17.835 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 51 108.144 -19.511 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 51 107.224 -20.669 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 51 108.098 -19.565 -3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 51 110.259 -20.350 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 51 109.485 -21.282 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 51 110.073 -22.829 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 51 108.328 -22.668 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 51 110.019 -20.847 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 51 109.626 -22.468 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 107.705 -21.587 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 107.239 -21.509 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 107.931 -20.152 -5.549 1.00 0.00 H new ATOM 841 N SER A 52 109.249 -17.007 -2.454 1.00 0.00 N ATOM 842 CA SER A 52 110.419 -16.102 -2.639 1.00 0.00 C ATOM 843 C SER A 52 110.414 -15.058 -1.526 1.00 0.00 C ATOM 844 O SER A 52 109.439 -14.901 -0.820 1.00 0.00 O ATOM 845 CB SER A 52 110.311 -15.401 -3.994 1.00 0.00 C ATOM 846 OG SER A 52 110.520 -16.350 -5.032 1.00 0.00 O ATOM 0 H SER A 52 108.374 -16.666 -2.852 1.00 0.00 H new ATOM 0 HA SER A 52 111.343 -16.678 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 52 109.329 -14.939 -4.100 1.00 0.00 H new ATOM 0 HB3 SER A 52 111.049 -14.601 -4.063 1.00 0.00 H new ATOM 0 HG SER A 52 110.450 -15.904 -5.902 1.00 0.00 H new ATOM 852 N VAL A 53 111.500 -14.349 -1.361 1.00 0.00 N ATOM 853 CA VAL A 53 111.578 -13.310 -0.289 1.00 0.00 C ATOM 854 C VAL A 53 112.138 -12.015 -0.880 1.00 0.00 C ATOM 855 O VAL A 53 113.038 -12.031 -1.695 1.00 0.00 O ATOM 856 CB VAL A 53 112.489 -13.816 0.828 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.860 -14.168 0.249 1.00 0.00 C ATOM 858 CG2 VAL A 53 112.642 -12.730 1.892 1.00 0.00 C ATOM 0 H VAL A 53 112.343 -14.445 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 53 110.586 -13.114 0.117 1.00 0.00 H new ATOM 0 HB VAL A 53 112.051 -14.705 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.510 -14.529 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 53 113.747 -14.945 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 53 114.302 -13.281 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 53 113.292 -13.091 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 53 113.080 -11.839 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 53 111.663 -12.485 2.305 1.00 0.00 H new ATOM 868 N LEU A 54 111.593 -10.892 -0.491 1.00 0.00 N ATOM 869 CA LEU A 54 112.076 -9.596 -1.049 1.00 0.00 C ATOM 870 C LEU A 54 113.502 -9.308 -0.563 1.00 0.00 C ATOM 871 O LEU A 54 113.718 -8.915 0.566 1.00 0.00 O ATOM 872 CB LEU A 54 111.136 -8.469 -0.588 1.00 0.00 C ATOM 873 CG LEU A 54 111.275 -7.248 -1.522 1.00 0.00 C ATOM 874 CD1 LEU A 54 110.341 -7.406 -2.733 1.00 0.00 C ATOM 875 CD2 LEU A 54 110.898 -5.967 -0.762 1.00 0.00 C ATOM 0 H LEU A 54 110.836 -10.817 0.188 1.00 0.00 H new ATOM 0 HA LEU A 54 112.082 -9.653 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.105 -8.822 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.374 -8.182 0.436 1.00 0.00 H new ATOM 0 HG LEU A 54 112.308 -7.182 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 54 110.444 -6.541 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.606 -8.310 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.309 -7.480 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 54 110.998 -5.108 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.867 -6.040 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.561 -5.843 0.094 1.00 0.00 H new ATOM 887 N ASP A 55 114.475 -9.492 -1.414 1.00 0.00 N ATOM 888 CA ASP A 55 115.886 -9.217 -1.014 1.00 0.00 C ATOM 889 C ASP A 55 116.100 -7.704 -0.878 1.00 0.00 C ATOM 890 O ASP A 55 115.966 -6.965 -1.833 1.00 0.00 O ATOM 891 CB ASP A 55 116.830 -9.769 -2.084 1.00 0.00 C ATOM 892 CG ASP A 55 118.278 -9.612 -1.619 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.512 -8.796 -0.742 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.128 -10.311 -2.145 1.00 0.00 O ATOM 0 H ASP A 55 114.354 -9.822 -2.372 1.00 0.00 H new ATOM 0 HA ASP A 55 116.092 -9.697 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.609 -10.820 -2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.680 -9.239 -3.025 1.00 0.00 H new ATOM 899 N LEU A 56 116.436 -7.232 0.294 1.00 0.00 N ATOM 900 CA LEU A 56 116.662 -5.766 0.466 1.00 0.00 C ATOM 901 C LEU A 56 117.786 -5.312 -0.469 1.00 0.00 C ATOM 902 O LEU A 56 117.816 -4.183 -0.917 1.00 0.00 O ATOM 903 CB LEU A 56 117.030 -5.456 1.928 1.00 0.00 C ATOM 904 CG LEU A 56 118.329 -6.203 2.344 1.00 0.00 C ATOM 905 CD1 LEU A 56 119.542 -5.256 2.257 1.00 0.00 C ATOM 906 CD2 LEU A 56 118.195 -6.720 3.791 1.00 0.00 C ATOM 0 H LEU A 56 116.563 -7.794 1.135 1.00 0.00 H new ATOM 0 HA LEU A 56 115.748 -5.228 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 56 117.168 -4.382 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 56 116.211 -5.750 2.584 1.00 0.00 H new ATOM 0 HG LEU A 56 118.478 -7.043 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 56 120.444 -5.792 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 56 119.651 -4.897 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 56 119.390 -4.408 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 56 119.108 -7.242 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 56 118.033 -5.878 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 56 117.350 -7.405 3.856 1.00 0.00 H new ATOM 918 N TYR A 57 118.713 -6.183 -0.764 1.00 0.00 N ATOM 919 CA TYR A 57 119.839 -5.805 -1.668 1.00 0.00 C ATOM 920 C TYR A 57 119.280 -5.388 -3.028 1.00 0.00 C ATOM 921 O TYR A 57 119.772 -4.472 -3.658 1.00 0.00 O ATOM 922 CB TYR A 57 120.764 -7.016 -1.869 1.00 0.00 C ATOM 923 CG TYR A 57 122.070 -6.583 -2.520 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.101 -6.170 -3.865 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.257 -6.597 -1.773 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.308 -5.774 -4.449 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.463 -6.201 -2.365 1.00 0.00 C ATOM 928 CZ TYR A 57 124.488 -5.787 -3.700 1.00 0.00 C ATOM 929 OH TYR A 57 125.679 -5.397 -4.279 1.00 0.00 O ATOM 0 H TYR A 57 118.740 -7.142 -0.418 1.00 0.00 H new ATOM 0 HA TYR A 57 120.395 -4.980 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.968 -7.489 -0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.269 -7.761 -2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.191 -6.159 -4.447 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.241 -6.913 -0.741 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.329 -5.457 -5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.376 -6.216 -1.789 1.00 0.00 H new ATOM 0 HH TYR A 57 126.401 -5.465 -3.620 1.00 0.00 H new ATOM 939 N GLU A 58 118.285 -6.082 -3.505 1.00 0.00 N ATOM 940 CA GLU A 58 117.729 -5.759 -4.848 1.00 0.00 C ATOM 941 C GLU A 58 117.178 -4.331 -4.866 1.00 0.00 C ATOM 942 O GLU A 58 117.349 -3.610 -5.829 1.00 0.00 O ATOM 943 CB GLU A 58 116.613 -6.752 -5.185 1.00 0.00 C ATOM 944 CG GLU A 58 116.208 -6.593 -6.652 1.00 0.00 C ATOM 945 CD GLU A 58 115.168 -7.656 -7.013 1.00 0.00 C ATOM 946 OE1 GLU A 58 114.934 -8.530 -6.193 1.00 0.00 O ATOM 947 OE2 GLU A 58 114.624 -7.581 -8.102 1.00 0.00 O ATOM 0 H GLU A 58 117.833 -6.859 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 58 118.523 -5.834 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 58 116.952 -7.771 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 58 115.752 -6.580 -4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 58 115.799 -5.597 -6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 58 117.083 -6.692 -7.295 1.00 0.00 H new ATOM 954 N LEU A 59 116.529 -3.903 -3.819 1.00 0.00 N ATOM 955 CA LEU A 59 115.993 -2.512 -3.813 1.00 0.00 C ATOM 956 C LEU A 59 117.161 -1.537 -3.976 1.00 0.00 C ATOM 957 O LEU A 59 117.110 -0.614 -4.764 1.00 0.00 O ATOM 958 CB LEU A 59 115.278 -2.233 -2.480 1.00 0.00 C ATOM 959 CG LEU A 59 114.720 -0.796 -2.464 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.635 -0.637 -3.542 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.125 -0.499 -1.082 1.00 0.00 C ATOM 0 H LEU A 59 116.348 -4.448 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 59 115.282 -2.388 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.467 -2.947 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 59 115.972 -2.370 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 59 115.528 -0.095 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.248 0.382 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 59 114.064 -0.843 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.823 -1.337 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.729 0.517 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.321 -1.205 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 59 114.901 -0.597 -0.323 1.00 0.00 H new ATOM 973 N TYR A 60 118.202 -1.729 -3.216 1.00 0.00 N ATOM 974 CA TYR A 60 119.374 -0.813 -3.293 1.00 0.00 C ATOM 975 C TYR A 60 119.989 -0.804 -4.703 1.00 0.00 C ATOM 976 O TYR A 60 120.332 0.238 -5.223 1.00 0.00 O ATOM 977 CB TYR A 60 120.437 -1.249 -2.287 1.00 0.00 C ATOM 978 CG TYR A 60 121.507 -0.193 -2.266 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.273 1.007 -1.593 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.712 -0.392 -2.947 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.235 2.007 -1.598 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.684 0.612 -2.946 1.00 0.00 C ATOM 983 CZ TYR A 60 123.443 1.815 -2.271 1.00 0.00 C ATOM 984 OH TYR A 60 124.387 2.815 -2.277 1.00 0.00 O ATOM 0 H TYR A 60 118.292 -2.487 -2.539 1.00 0.00 H new ATOM 0 HA TYR A 60 119.026 0.194 -3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 60 119.999 -1.370 -1.296 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.858 -2.214 -2.569 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.342 1.158 -1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 60 122.891 -1.319 -3.472 1.00 0.00 H new ATOM 0 HE1 TYR A 60 122.049 2.936 -1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.619 0.460 -3.465 1.00 0.00 H new ATOM 0 HH TYR A 60 125.170 2.522 -2.788 1.00 0.00 H new ATOM 994 N ASN A 61 120.170 -1.948 -5.316 1.00 0.00 N ATOM 995 CA ASN A 61 120.806 -1.966 -6.670 1.00 0.00 C ATOM 996 C ASN A 61 119.977 -1.128 -7.659 1.00 0.00 C ATOM 997 O ASN A 61 120.516 -0.405 -8.474 1.00 0.00 O ATOM 998 CB ASN A 61 120.920 -3.430 -7.164 1.00 0.00 C ATOM 999 CG ASN A 61 119.679 -3.846 -7.971 1.00 0.00 C ATOM 1000 OD1 ASN A 61 118.809 -4.525 -7.468 1.00 0.00 O ATOM 1001 ND2 ASN A 61 119.566 -3.459 -9.213 1.00 0.00 N ATOM 0 H ASN A 61 119.908 -2.860 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 61 121.803 -1.531 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 61 121.811 -3.539 -7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.041 -4.096 -6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 61 118.747 -3.728 -9.758 1.00 0.00 H new ATOM 0 HD22 ASN A 61 120.297 -2.888 -9.638 1.00 0.00 H new ATOM 1008 N LEU A 62 118.679 -1.231 -7.603 1.00 0.00 N ATOM 1009 CA LEU A 62 117.828 -0.450 -8.548 1.00 0.00 C ATOM 1010 C LEU A 62 117.990 1.050 -8.284 1.00 0.00 C ATOM 1011 O LEU A 62 118.029 1.848 -9.199 1.00 0.00 O ATOM 1012 CB LEU A 62 116.360 -0.841 -8.346 1.00 0.00 C ATOM 1013 CG LEU A 62 116.147 -2.315 -8.723 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.745 -2.747 -8.281 1.00 0.00 C ATOM 1015 CD2 LEU A 62 116.291 -2.510 -10.245 1.00 0.00 C ATOM 0 H LEU A 62 118.169 -1.821 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 62 118.135 -0.669 -9.571 1.00 0.00 H new ATOM 0 HB2 LEU A 62 116.072 -0.679 -7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.719 -0.205 -8.957 1.00 0.00 H new ATOM 0 HG LEU A 62 116.901 -2.923 -8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.586 -3.792 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.651 -2.627 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.999 -2.129 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 62 116.137 -3.560 -10.493 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.548 -1.902 -10.762 1.00 0.00 H new ATOM 0 HD23 LEU A 62 117.290 -2.206 -10.558 1.00 0.00 H new ATOM 1027 N VAL A 63 118.064 1.440 -7.042 1.00 0.00 N ATOM 1028 CA VAL A 63 118.200 2.890 -6.720 1.00 0.00 C ATOM 1029 C VAL A 63 119.508 3.458 -7.290 1.00 0.00 C ATOM 1030 O VAL A 63 119.506 4.459 -7.980 1.00 0.00 O ATOM 1031 CB VAL A 63 118.183 3.052 -5.195 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.602 4.478 -4.813 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.764 2.777 -4.676 1.00 0.00 C ATOM 0 H VAL A 63 118.036 0.817 -6.235 1.00 0.00 H new ATOM 0 HA VAL A 63 117.372 3.438 -7.170 1.00 0.00 H new ATOM 0 HB VAL A 63 118.884 2.346 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.587 4.583 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.609 4.673 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.908 5.192 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.745 2.890 -3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 63 116.068 3.484 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.471 1.761 -4.940 1.00 0.00 H new ATOM 1043 N ILE A 64 120.620 2.841 -7.006 1.00 0.00 N ATOM 1044 CA ILE A 64 121.912 3.366 -7.530 1.00 0.00 C ATOM 1045 C ILE A 64 121.960 3.209 -9.052 1.00 0.00 C ATOM 1046 O ILE A 64 122.437 4.075 -9.758 1.00 0.00 O ATOM 1047 CB ILE A 64 123.066 2.570 -6.911 1.00 0.00 C ATOM 1048 CG1 ILE A 64 123.087 2.750 -5.382 1.00 0.00 C ATOM 1049 CG2 ILE A 64 124.395 3.030 -7.509 1.00 0.00 C ATOM 1050 CD1 ILE A 64 123.183 4.233 -4.995 1.00 0.00 C ATOM 0 H ILE A 64 120.691 1.998 -6.436 1.00 0.00 H new ATOM 0 HA ILE A 64 122.002 4.421 -7.272 1.00 0.00 H new ATOM 0 HB ILE A 64 122.919 1.513 -7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 64 122.184 2.317 -4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.933 2.207 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 64 125.211 2.460 -7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 64 124.384 2.868 -8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 64 124.539 4.091 -7.303 1.00 0.00 H new ATOM 0 HD11 ILE A 64 123.196 4.326 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 64 124.099 4.658 -5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 64 122.323 4.770 -5.395 1.00 0.00 H new ATOM 1062 N ALA A 65 121.478 2.111 -9.561 1.00 0.00 N ATOM 1063 CA ALA A 65 121.509 1.904 -11.035 1.00 0.00 C ATOM 1064 C ALA A 65 120.797 3.064 -11.735 1.00 0.00 C ATOM 1065 O ALA A 65 120.995 3.304 -12.909 1.00 0.00 O ATOM 1066 CB ALA A 65 120.811 0.586 -11.382 1.00 0.00 C ATOM 0 H ALA A 65 121.065 1.350 -9.022 1.00 0.00 H new ATOM 0 HA ALA A 65 122.545 1.864 -11.372 1.00 0.00 H new ATOM 0 HB1 ALA A 65 120.834 0.435 -12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 65 121.326 -0.239 -10.889 1.00 0.00 H new ATOM 0 HB3 ALA A 65 119.776 0.622 -11.043 1.00 0.00 H new ATOM 1072 N ARG A 66 119.964 3.788 -11.026 1.00 0.00 N ATOM 1073 CA ARG A 66 119.235 4.930 -11.654 1.00 0.00 C ATOM 1074 C ARG A 66 119.963 6.247 -11.361 1.00 0.00 C ATOM 1075 O ARG A 66 119.964 7.151 -12.174 1.00 0.00 O ATOM 1076 CB ARG A 66 117.814 4.993 -11.095 1.00 0.00 C ATOM 1077 CG ARG A 66 117.011 3.801 -11.622 1.00 0.00 C ATOM 1078 CD ARG A 66 115.559 3.923 -11.165 1.00 0.00 C ATOM 1079 NE ARG A 66 114.921 5.071 -11.867 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.590 4.961 -13.124 1.00 0.00 C ATOM 1081 NH1 ARG A 66 115.493 5.121 -14.054 1.00 0.00 N ATOM 1082 NH2 ARG A 66 113.358 4.692 -13.452 1.00 0.00 N ATOM 0 H ARG A 66 119.759 3.635 -10.039 1.00 0.00 H new ATOM 0 HA ARG A 66 119.198 4.780 -12.733 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.838 4.977 -10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 66 117.336 5.927 -11.389 1.00 0.00 H new ATOM 0 HG2 ARG A 66 117.059 3.769 -12.710 1.00 0.00 H new ATOM 0 HG3 ARG A 66 117.441 2.869 -11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 66 115.018 3.002 -11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 66 115.516 4.071 -10.086 1.00 0.00 H new ATOM 0 HE ARG A 66 114.743 5.942 -11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 66 116.457 5.332 -13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 66 115.234 5.035 -15.037 1.00 0.00 H new ATOM 0 HH21 ARG A 66 112.653 4.567 -12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 66 113.099 4.606 -14.435 1.00 0.00 H new ATOM 1096 N GLY A 67 120.594 6.375 -10.218 1.00 0.00 N ATOM 1097 CA GLY A 67 121.322 7.649 -9.917 1.00 0.00 C ATOM 1098 C GLY A 67 121.362 7.916 -8.406 1.00 0.00 C ATOM 1099 O GLY A 67 122.159 8.705 -7.938 1.00 0.00 O ATOM 0 H GLY A 67 120.637 5.663 -9.489 1.00 0.00 H new ATOM 0 HA2 GLY A 67 122.338 7.592 -10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.832 8.480 -10.424 1.00 0.00 H new ATOM 1103 N GLY A 68 120.520 7.270 -7.637 1.00 0.00 N ATOM 1104 CA GLY A 68 120.524 7.497 -6.153 1.00 0.00 C ATOM 1105 C GLY A 68 119.091 7.593 -5.628 1.00 0.00 C ATOM 1106 O GLY A 68 118.164 7.865 -6.366 1.00 0.00 O ATOM 0 H GLY A 68 119.830 6.596 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 68 121.047 6.681 -5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 68 121.066 8.413 -5.920 1.00 0.00 H new ATOM 1110 N LEU A 69 118.902 7.359 -4.354 1.00 0.00 N ATOM 1111 CA LEU A 69 117.527 7.424 -3.779 1.00 0.00 C ATOM 1112 C LEU A 69 116.941 8.821 -3.988 1.00 0.00 C ATOM 1113 O LEU A 69 115.833 8.971 -4.466 1.00 0.00 O ATOM 1114 CB LEU A 69 117.583 7.128 -2.275 1.00 0.00 C ATOM 1115 CG LEU A 69 116.158 6.847 -1.746 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.740 5.399 -2.066 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.110 7.070 -0.225 1.00 0.00 C ATOM 0 H LEU A 69 119.640 7.126 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 69 116.900 6.686 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 69 118.227 6.269 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.018 7.975 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 69 115.466 7.532 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.734 5.218 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.753 5.246 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 69 116.436 4.706 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.103 6.870 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.814 6.396 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 69 116.379 8.102 0.000 1.00 0.00 H new ATOM 1129 N VAL A 70 117.666 9.850 -3.635 1.00 0.00 N ATOM 1130 CA VAL A 70 117.125 11.224 -3.825 1.00 0.00 C ATOM 1131 C VAL A 70 116.879 11.444 -5.316 1.00 0.00 C ATOM 1132 O VAL A 70 115.902 12.049 -5.709 1.00 0.00 O ATOM 1133 CB VAL A 70 118.107 12.268 -3.278 1.00 0.00 C ATOM 1134 CG1 VAL A 70 117.447 13.652 -3.306 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.483 11.912 -1.830 1.00 0.00 C ATOM 0 H VAL A 70 118.600 9.798 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 70 116.189 11.333 -3.278 1.00 0.00 H new ATOM 0 HB VAL A 70 119.006 12.278 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.143 14.395 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.179 13.907 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 70 116.549 13.639 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.181 12.654 -1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 70 117.585 11.901 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 70 118.951 10.928 -1.807 1.00 0.00 H new ATOM 1145 N ASP A 71 117.745 10.942 -6.157 1.00 0.00 N ATOM 1146 CA ASP A 71 117.527 11.113 -7.620 1.00 0.00 C ATOM 1147 C ASP A 71 116.193 10.458 -7.981 1.00 0.00 C ATOM 1148 O ASP A 71 115.434 10.962 -8.779 1.00 0.00 O ATOM 1149 CB ASP A 71 118.663 10.445 -8.402 1.00 0.00 C ATOM 1150 CG ASP A 71 119.917 11.323 -8.345 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.769 12.532 -8.264 1.00 0.00 O ATOM 1152 OD2 ASP A 71 121.004 10.772 -8.394 1.00 0.00 O ATOM 0 H ASP A 71 118.585 10.426 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 71 117.510 12.172 -7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.877 9.462 -7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 71 118.362 10.291 -9.438 1.00 0.00 H new ATOM 1157 N VAL A 72 115.898 9.334 -7.397 1.00 0.00 N ATOM 1158 CA VAL A 72 114.605 8.657 -7.695 1.00 0.00 C ATOM 1159 C VAL A 72 113.443 9.468 -7.099 1.00 0.00 C ATOM 1160 O VAL A 72 112.412 9.637 -7.718 1.00 0.00 O ATOM 1161 CB VAL A 72 114.624 7.253 -7.083 1.00 0.00 C ATOM 1162 CG1 VAL A 72 113.228 6.626 -7.156 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.610 6.380 -7.863 1.00 0.00 C ATOM 0 H VAL A 72 116.496 8.853 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 72 114.469 8.586 -8.774 1.00 0.00 H new ATOM 0 HB VAL A 72 114.929 7.322 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 72 113.254 5.628 -6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.521 7.246 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.914 6.557 -8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.629 5.379 -7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 72 115.298 6.321 -8.906 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.607 6.818 -7.807 1.00 0.00 H new ATOM 1173 N ILE A 73 113.596 9.951 -5.893 1.00 0.00 N ATOM 1174 CA ILE A 73 112.492 10.726 -5.249 1.00 0.00 C ATOM 1175 C ILE A 73 112.260 12.060 -5.970 1.00 0.00 C ATOM 1176 O ILE A 73 111.152 12.379 -6.353 1.00 0.00 O ATOM 1177 CB ILE A 73 112.856 11.002 -3.784 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.932 9.677 -3.020 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.787 11.893 -3.143 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.534 9.924 -1.635 1.00 0.00 C ATOM 0 H ILE A 73 114.437 9.843 -5.326 1.00 0.00 H new ATOM 0 HA ILE A 73 111.577 10.137 -5.309 1.00 0.00 H new ATOM 0 HB ILE A 73 113.821 11.507 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.937 9.242 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.541 8.961 -3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 73 112.050 12.086 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.729 12.838 -3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.821 11.390 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.589 8.982 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.536 10.340 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 73 112.907 10.626 -1.085 1.00 0.00 H new ATOM 1192 N ASN A 74 113.284 12.854 -6.138 1.00 0.00 N ATOM 1193 CA ASN A 74 113.095 14.174 -6.810 1.00 0.00 C ATOM 1194 C ASN A 74 112.566 13.969 -8.236 1.00 0.00 C ATOM 1195 O ASN A 74 111.738 14.721 -8.711 1.00 0.00 O ATOM 1196 CB ASN A 74 114.420 14.947 -6.840 1.00 0.00 C ATOM 1197 CG ASN A 74 115.389 14.281 -7.810 1.00 0.00 C ATOM 1198 OD1 ASN A 74 115.335 13.092 -8.009 1.00 0.00 O ATOM 1199 ND2 ASN A 74 116.280 15.007 -8.430 1.00 0.00 N ATOM 0 H ASN A 74 114.238 12.648 -5.841 1.00 0.00 H new ATOM 0 HA ASN A 74 112.365 14.755 -6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.242 15.979 -7.142 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.856 14.978 -5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 74 116.930 14.569 -9.082 1.00 0.00 H new ATOM 0 HD22 ASN A 74 116.326 16.012 -8.262 1.00 0.00 H new ATOM 1206 N LYS A 75 113.038 12.962 -8.928 1.00 0.00 N ATOM 1207 CA LYS A 75 112.557 12.721 -10.325 1.00 0.00 C ATOM 1208 C LYS A 75 111.350 11.778 -10.298 1.00 0.00 C ATOM 1209 O LYS A 75 110.901 11.305 -11.321 1.00 0.00 O ATOM 1210 CB LYS A 75 113.676 12.090 -11.156 1.00 0.00 C ATOM 1211 CG LYS A 75 114.796 13.114 -11.360 1.00 0.00 C ATOM 1212 CD LYS A 75 115.870 12.545 -12.297 1.00 0.00 C ATOM 1213 CE LYS A 75 116.771 11.561 -11.540 1.00 0.00 C ATOM 1214 NZ LYS A 75 117.930 11.194 -12.402 1.00 0.00 N ATOM 0 H LYS A 75 113.733 12.298 -8.588 1.00 0.00 H new ATOM 0 HA LYS A 75 112.267 13.672 -10.772 1.00 0.00 H new ATOM 0 HB2 LYS A 75 114.064 11.205 -10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 75 113.288 11.762 -12.120 1.00 0.00 H new ATOM 0 HG2 LYS A 75 114.387 14.033 -11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 75 115.241 13.373 -10.399 1.00 0.00 H new ATOM 0 HD2 LYS A 75 115.397 12.041 -13.140 1.00 0.00 H new ATOM 0 HD3 LYS A 75 116.471 13.356 -12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 75 117.122 12.011 -10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 75 116.207 10.668 -11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 118.544 10.527 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 117.585 10.749 -13.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 118.471 12.050 -12.639 1.00 0.00 H new ATOM 1228 N LYS A 76 110.828 11.507 -9.127 1.00 0.00 N ATOM 1229 CA LYS A 76 109.644 10.597 -8.995 1.00 0.00 C ATOM 1230 C LYS A 76 109.752 9.411 -9.962 1.00 0.00 C ATOM 1231 O LYS A 76 108.859 9.146 -10.742 1.00 0.00 O ATOM 1232 CB LYS A 76 108.331 11.365 -9.240 1.00 0.00 C ATOM 1233 CG LYS A 76 108.331 12.058 -10.611 1.00 0.00 C ATOM 1234 CD LYS A 76 106.943 12.640 -10.878 1.00 0.00 C ATOM 1235 CE LYS A 76 106.917 13.282 -12.266 1.00 0.00 C ATOM 1236 NZ LYS A 76 105.507 13.567 -12.654 1.00 0.00 N ATOM 0 H LYS A 76 111.176 11.882 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 76 109.635 10.211 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 76 107.489 10.676 -9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 76 108.191 12.109 -8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 76 109.081 12.849 -10.632 1.00 0.00 H new ATOM 0 HG3 LYS A 76 108.597 11.346 -11.392 1.00 0.00 H new ATOM 0 HD2 LYS A 76 106.190 11.855 -10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 76 106.696 13.381 -10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 76 107.498 14.204 -12.263 1.00 0.00 H new ATOM 0 HE3 LYS A 76 107.379 12.616 -12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 105.488 14.004 -13.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 104.966 12.679 -12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 105.082 14.218 -11.963 1.00 0.00 H new ATOM 1250 N LEU A 77 110.836 8.681 -9.902 1.00 0.00 N ATOM 1251 CA LEU A 77 111.006 7.499 -10.805 1.00 0.00 C ATOM 1252 C LEU A 77 110.622 6.229 -10.041 1.00 0.00 C ATOM 1253 O LEU A 77 111.007 5.135 -10.399 1.00 0.00 O ATOM 1254 CB LEU A 77 112.470 7.402 -11.248 1.00 0.00 C ATOM 1255 CG LEU A 77 112.878 8.674 -12.000 1.00 0.00 C ATOM 1256 CD1 LEU A 77 114.393 8.656 -12.229 1.00 0.00 C ATOM 1257 CD2 LEU A 77 112.152 8.749 -13.355 1.00 0.00 C ATOM 0 H LEU A 77 111.614 8.852 -9.265 1.00 0.00 H new ATOM 0 HA LEU A 77 110.369 7.610 -11.682 1.00 0.00 H new ATOM 0 HB2 LEU A 77 113.113 7.262 -10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.607 6.531 -11.889 1.00 0.00 H new ATOM 0 HG LEU A 77 112.602 9.546 -11.407 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.691 9.558 -12.764 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.906 8.618 -11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 77 114.661 7.779 -12.819 1.00 0.00 H new ATOM 0 HD21 LEU A 77 112.451 9.657 -13.878 1.00 0.00 H new ATOM 0 HD22 LEU A 77 112.415 7.880 -13.957 1.00 0.00 H new ATOM 0 HD23 LEU A 77 111.075 8.763 -13.190 1.00 0.00 H new ATOM 1269 N TRP A 78 109.871 6.374 -8.982 1.00 0.00 N ATOM 1270 CA TRP A 78 109.461 5.186 -8.177 1.00 0.00 C ATOM 1271 C TRP A 78 108.701 4.186 -9.056 1.00 0.00 C ATOM 1272 O TRP A 78 108.555 3.033 -8.703 1.00 0.00 O ATOM 1273 CB TRP A 78 108.551 5.635 -7.023 1.00 0.00 C ATOM 1274 CG TRP A 78 109.372 6.215 -5.915 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.462 7.531 -5.619 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.212 5.519 -4.951 1.00 0.00 C ATOM 1277 NE1 TRP A 78 110.303 7.687 -4.531 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.792 6.476 -4.085 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.524 4.164 -4.745 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.652 6.101 -3.052 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.390 3.782 -3.707 1.00 0.00 C ATOM 1282 CH2 TRP A 78 111.952 4.750 -2.862 1.00 0.00 C ATOM 0 H TRP A 78 109.522 7.269 -8.638 1.00 0.00 H new ATOM 0 HA TRP A 78 110.355 4.707 -7.779 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.835 6.375 -7.381 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.975 4.787 -6.653 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.960 8.329 -6.145 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.533 8.587 -4.110 1.00 0.00 H new ATOM 0 HE3 TRP A 78 110.095 3.411 -5.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 112.083 6.850 -2.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.624 2.738 -3.559 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.616 4.451 -2.065 1.00 0.00 H new ATOM 1293 N GLN A 79 108.201 4.609 -10.183 1.00 0.00 N ATOM 1294 CA GLN A 79 107.440 3.660 -11.046 1.00 0.00 C ATOM 1295 C GLN A 79 108.341 2.493 -11.452 1.00 0.00 C ATOM 1296 O GLN A 79 107.931 1.351 -11.436 1.00 0.00 O ATOM 1297 CB GLN A 79 106.955 4.391 -12.303 1.00 0.00 C ATOM 1298 CG GLN A 79 105.769 5.290 -11.953 1.00 0.00 C ATOM 1299 CD GLN A 79 106.234 6.413 -11.026 1.00 0.00 C ATOM 1300 OE1 GLN A 79 107.324 6.927 -11.174 1.00 0.00 O ATOM 1301 NE2 GLN A 79 105.446 6.819 -10.069 1.00 0.00 N ATOM 0 H GLN A 79 108.284 5.560 -10.542 1.00 0.00 H new ATOM 0 HA GLN A 79 106.583 3.277 -10.491 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.764 4.988 -12.723 1.00 0.00 H new ATOM 0 HB3 GLN A 79 106.663 3.669 -13.065 1.00 0.00 H new ATOM 0 HG2 GLN A 79 105.337 5.710 -12.862 1.00 0.00 H new ATOM 0 HG3 GLN A 79 104.987 4.705 -11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 79 104.530 6.387 -9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 79 105.746 7.568 -9.445 1.00 0.00 H new ATOM 1310 N GLU A 80 109.564 2.759 -11.808 1.00 0.00 N ATOM 1311 CA GLU A 80 110.472 1.648 -12.206 1.00 0.00 C ATOM 1312 C GLU A 80 110.634 0.675 -11.034 1.00 0.00 C ATOM 1313 O GLU A 80 110.607 -0.527 -11.205 1.00 0.00 O ATOM 1314 CB GLU A 80 111.836 2.221 -12.598 1.00 0.00 C ATOM 1315 CG GLU A 80 112.748 1.102 -13.114 1.00 0.00 C ATOM 1316 CD GLU A 80 112.183 0.545 -14.422 1.00 0.00 C ATOM 1317 OE1 GLU A 80 111.389 1.234 -15.042 1.00 0.00 O ATOM 1318 OE2 GLU A 80 112.555 -0.559 -14.783 1.00 0.00 O ATOM 0 H GLU A 80 109.974 3.692 -11.841 1.00 0.00 H new ATOM 0 HA GLU A 80 110.047 1.116 -13.057 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.712 2.983 -13.367 1.00 0.00 H new ATOM 0 HB3 GLU A 80 112.296 2.708 -11.738 1.00 0.00 H new ATOM 0 HG2 GLU A 80 113.756 1.485 -13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 80 112.823 0.308 -12.371 1.00 0.00 H new ATOM 1325 N ILE A 81 110.813 1.184 -9.844 1.00 0.00 N ATOM 1326 CA ILE A 81 110.988 0.285 -8.669 1.00 0.00 C ATOM 1327 C ILE A 81 109.667 -0.419 -8.352 1.00 0.00 C ATOM 1328 O ILE A 81 109.635 -1.606 -8.091 1.00 0.00 O ATOM 1329 CB ILE A 81 111.429 1.117 -7.462 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.822 1.696 -7.728 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.473 0.233 -6.212 1.00 0.00 C ATOM 1332 CD1 ILE A 81 113.167 2.721 -6.648 1.00 0.00 C ATOM 0 H ILE A 81 110.845 2.182 -9.636 1.00 0.00 H new ATOM 0 HA ILE A 81 111.745 -0.466 -8.895 1.00 0.00 H new ATOM 0 HB ILE A 81 110.719 1.928 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.563 0.897 -7.735 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.850 2.166 -8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.787 0.829 -5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.482 -0.179 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 81 112.181 -0.581 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 81 114.158 3.131 -6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 81 112.432 3.526 -6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 81 113.157 2.238 -5.671 1.00 0.00 H new ATOM 1344 N ILE A 82 108.578 0.298 -8.364 1.00 0.00 N ATOM 1345 CA ILE A 82 107.271 -0.341 -8.055 1.00 0.00 C ATOM 1346 C ILE A 82 106.921 -1.368 -9.137 1.00 0.00 C ATOM 1347 O ILE A 82 106.427 -2.438 -8.846 1.00 0.00 O ATOM 1348 CB ILE A 82 106.190 0.740 -7.968 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.454 1.594 -6.721 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.810 0.086 -7.864 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.556 2.836 -6.718 1.00 0.00 C ATOM 0 H ILE A 82 108.537 1.295 -8.574 1.00 0.00 H new ATOM 0 HA ILE A 82 107.333 -0.860 -7.099 1.00 0.00 H new ATOM 0 HB ILE A 82 106.216 1.365 -8.861 1.00 0.00 H new ATOM 0 HG12 ILE A 82 106.270 1.003 -5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 82 107.501 1.896 -6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 82 104.045 0.860 -7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.632 -0.531 -8.745 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.769 -0.537 -6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.758 3.429 -5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.760 3.435 -7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.510 2.529 -6.720 1.00 0.00 H new ATOM 1363 N LYS A 83 107.179 -1.064 -10.383 1.00 0.00 N ATOM 1364 CA LYS A 83 106.861 -2.048 -11.458 1.00 0.00 C ATOM 1365 C LYS A 83 107.645 -3.336 -11.207 1.00 0.00 C ATOM 1366 O LYS A 83 107.115 -4.424 -11.308 1.00 0.00 O ATOM 1367 CB LYS A 83 107.235 -1.465 -12.822 1.00 0.00 C ATOM 1368 CG LYS A 83 106.196 -0.419 -13.234 1.00 0.00 C ATOM 1369 CD LYS A 83 106.645 0.264 -14.528 1.00 0.00 C ATOM 1370 CE LYS A 83 105.517 1.150 -15.059 1.00 0.00 C ATOM 1371 NZ LYS A 83 104.837 1.831 -13.919 1.00 0.00 N ATOM 0 H LYS A 83 107.592 -0.186 -10.699 1.00 0.00 H new ATOM 0 HA LYS A 83 105.793 -2.266 -11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 83 108.225 -1.011 -12.776 1.00 0.00 H new ATOM 0 HB3 LYS A 83 107.283 -2.259 -13.568 1.00 0.00 H new ATOM 0 HG2 LYS A 83 105.225 -0.893 -13.378 1.00 0.00 H new ATOM 0 HG3 LYS A 83 106.075 0.321 -12.443 1.00 0.00 H new ATOM 0 HD2 LYS A 83 107.536 0.864 -14.344 1.00 0.00 H new ATOM 0 HD3 LYS A 83 106.913 -0.486 -15.272 1.00 0.00 H new ATOM 0 HE2 LYS A 83 105.918 1.890 -15.751 1.00 0.00 H new ATOM 0 HE3 LYS A 83 104.800 0.548 -15.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 104.363 2.691 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 104.132 1.190 -13.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 105.541 2.087 -13.198 1.00 0.00 H new ATOM 1385 N GLY A 84 108.897 -3.226 -10.856 1.00 0.00 N ATOM 1386 CA GLY A 84 109.692 -4.453 -10.575 1.00 0.00 C ATOM 1387 C GLY A 84 109.028 -5.189 -9.413 1.00 0.00 C ATOM 1388 O GLY A 84 108.919 -6.400 -9.403 1.00 0.00 O ATOM 0 H GLY A 84 109.401 -2.345 -10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.732 -5.092 -11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 84 110.720 -4.192 -10.323 1.00 0.00 H new ATOM 1392 N LEU A 85 108.568 -4.449 -8.438 1.00 0.00 N ATOM 1393 CA LEU A 85 107.883 -5.061 -7.260 1.00 0.00 C ATOM 1394 C LEU A 85 106.373 -4.934 -7.469 1.00 0.00 C ATOM 1395 O LEU A 85 105.672 -4.351 -6.665 1.00 0.00 O ATOM 1396 CB LEU A 85 108.289 -4.316 -5.980 1.00 0.00 C ATOM 1397 CG LEU A 85 109.673 -4.783 -5.511 1.00 0.00 C ATOM 1398 CD1 LEU A 85 110.749 -4.281 -6.477 1.00 0.00 C ATOM 1399 CD2 LEU A 85 109.948 -4.223 -4.114 1.00 0.00 C ATOM 0 H LEU A 85 108.639 -3.432 -8.408 1.00 0.00 H new ATOM 0 HA LEU A 85 108.166 -6.109 -7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 85 108.303 -3.242 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 85 107.552 -4.495 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 85 109.694 -5.872 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 85 111.729 -4.617 -6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 85 110.556 -4.677 -7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 85 110.730 -3.192 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 85 110.931 -4.553 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 85 109.922 -3.134 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 85 109.187 -4.583 -3.421 1.00 0.00 H new ATOM 1411 N HIS A 86 105.877 -5.452 -8.563 1.00 0.00 N ATOM 1412 CA HIS A 86 104.418 -5.350 -8.870 1.00 0.00 C ATOM 1413 C HIS A 86 103.576 -5.554 -7.604 1.00 0.00 C ATOM 1414 O HIS A 86 103.963 -6.250 -6.687 1.00 0.00 O ATOM 1415 CB HIS A 86 104.052 -6.416 -9.902 1.00 0.00 C ATOM 1416 CG HIS A 86 104.840 -6.185 -11.163 1.00 0.00 C ATOM 1417 ND1 HIS A 86 104.475 -5.232 -12.099 1.00 0.00 N ATOM 1418 CD2 HIS A 86 105.978 -6.778 -11.655 1.00 0.00 C ATOM 1419 CE1 HIS A 86 105.377 -5.277 -13.097 1.00 0.00 C ATOM 1420 NE2 HIS A 86 106.314 -6.203 -12.876 1.00 0.00 N ATOM 0 H HIS A 86 106.427 -5.947 -9.265 1.00 0.00 H new ATOM 0 HA HIS A 86 104.210 -4.355 -9.263 1.00 0.00 H new ATOM 0 HB2 HIS A 86 104.263 -7.409 -9.505 1.00 0.00 H new ATOM 0 HB3 HIS A 86 102.984 -6.379 -10.116 1.00 0.00 H new ATOM 0 HD2 HIS A 86 106.528 -7.570 -11.168 1.00 0.00 H new ATOM 0 HE1 HIS A 86 105.347 -4.642 -13.970 1.00 0.00 H new ATOM 0 HE2 HIS A 86 107.106 -6.438 -13.474 1.00 0.00 H new ATOM 1428 N LEU A 87 102.428 -4.932 -7.558 1.00 0.00 N ATOM 1429 CA LEU A 87 101.539 -5.051 -6.371 1.00 0.00 C ATOM 1430 C LEU A 87 100.899 -6.456 -6.347 1.00 0.00 C ATOM 1431 O LEU A 87 100.359 -6.887 -7.346 1.00 0.00 O ATOM 1432 CB LEU A 87 100.416 -4.009 -6.486 1.00 0.00 C ATOM 1433 CG LEU A 87 100.945 -2.610 -6.153 1.00 0.00 C ATOM 1434 CD1 LEU A 87 102.186 -2.301 -6.997 1.00 0.00 C ATOM 1435 CD2 LEU A 87 99.854 -1.580 -6.458 1.00 0.00 C ATOM 0 H LEU A 87 102.066 -4.339 -8.304 1.00 0.00 H new ATOM 0 HA LEU A 87 102.120 -4.890 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.006 -4.018 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 87 99.602 -4.267 -5.809 1.00 0.00 H new ATOM 0 HG LEU A 87 101.215 -2.568 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 87 102.554 -1.304 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 87 102.962 -3.036 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 87 101.926 -2.342 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 87 100.221 -0.581 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 87 99.590 -1.631 -7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.973 -1.793 -5.853 1.00 0.00 H new ATOM 1447 N PRO A 88 100.920 -7.174 -5.237 1.00 0.00 N ATOM 1448 CA PRO A 88 100.277 -8.516 -5.214 1.00 0.00 C ATOM 1449 C PRO A 88 98.781 -8.413 -5.551 1.00 0.00 C ATOM 1450 O PRO A 88 98.337 -8.857 -6.590 1.00 0.00 O ATOM 1451 CB PRO A 88 100.502 -8.986 -3.760 1.00 0.00 C ATOM 1452 CG PRO A 88 101.265 -7.882 -3.000 1.00 0.00 C ATOM 1453 CD PRO A 88 101.564 -6.726 -3.969 1.00 0.00 C ATOM 0 HA PRO A 88 100.689 -9.207 -5.949 1.00 0.00 H new ATOM 0 HB2 PRO A 88 99.547 -9.188 -3.275 1.00 0.00 H new ATOM 0 HB3 PRO A 88 101.070 -9.916 -3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 88 100.672 -7.525 -2.158 1.00 0.00 H new ATOM 0 HG3 PRO A 88 102.193 -8.279 -2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 88 101.145 -5.784 -3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 88 102.636 -6.571 -4.094 1.00 0.00 H new ATOM 1461 N SER A 89 98.011 -7.815 -4.679 1.00 0.00 N ATOM 1462 CA SER A 89 96.551 -7.668 -4.947 1.00 0.00 C ATOM 1463 C SER A 89 95.849 -7.072 -3.713 1.00 0.00 C ATOM 1464 O SER A 89 94.648 -7.183 -3.566 1.00 0.00 O ATOM 1465 CB SER A 89 95.959 -9.046 -5.279 1.00 0.00 C ATOM 1466 OG SER A 89 96.017 -9.251 -6.684 1.00 0.00 O ATOM 0 H SER A 89 98.331 -7.423 -3.794 1.00 0.00 H new ATOM 0 HA SER A 89 96.399 -6.996 -5.792 1.00 0.00 H new ATOM 0 HB2 SER A 89 96.514 -9.828 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 89 94.927 -9.105 -4.933 1.00 0.00 H new ATOM 0 HG SER A 89 96.851 -8.874 -7.035 1.00 0.00 H new ATOM 1472 N SER A 90 96.580 -6.444 -2.824 1.00 0.00 N ATOM 1473 CA SER A 90 95.933 -5.852 -1.614 1.00 0.00 C ATOM 1474 C SER A 90 96.764 -4.674 -1.088 1.00 0.00 C ATOM 1475 O SER A 90 96.489 -4.142 -0.031 1.00 0.00 O ATOM 1476 CB SER A 90 95.821 -6.922 -0.528 1.00 0.00 C ATOM 1477 OG SER A 90 94.978 -7.971 -0.989 1.00 0.00 O ATOM 0 H SER A 90 97.590 -6.317 -2.884 1.00 0.00 H new ATOM 0 HA SER A 90 94.940 -5.490 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 90 96.808 -7.314 -0.284 1.00 0.00 H new ATOM 0 HB3 SER A 90 95.415 -6.488 0.386 1.00 0.00 H new ATOM 0 HG SER A 90 94.645 -7.753 -1.885 1.00 0.00 H new ATOM 1483 N ILE A 91 97.772 -4.256 -1.821 1.00 0.00 N ATOM 1484 CA ILE A 91 98.625 -3.105 -1.378 1.00 0.00 C ATOM 1485 C ILE A 91 98.554 -1.988 -2.417 1.00 0.00 C ATOM 1486 O ILE A 91 98.867 -2.184 -3.575 1.00 0.00 O ATOM 1487 CB ILE A 91 100.079 -3.558 -1.230 1.00 0.00 C ATOM 1488 CG1 ILE A 91 100.177 -4.615 -0.125 1.00 0.00 C ATOM 1489 CG2 ILE A 91 100.956 -2.354 -0.874 1.00 0.00 C ATOM 1490 CD1 ILE A 91 101.572 -5.243 -0.136 1.00 0.00 C ATOM 0 H ILE A 91 98.042 -4.667 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 91 98.259 -2.742 -0.418 1.00 0.00 H new ATOM 0 HB ILE A 91 100.423 -3.989 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 91 99.980 -4.160 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 91 99.420 -5.384 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 91 101.992 -2.677 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 91 100.887 -1.607 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 91 100.614 -1.920 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 91 101.639 -5.994 0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 91 101.752 -5.713 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 91 102.321 -4.470 0.036 1.00 0.00 H new ATOM 1502 N THR A 92 98.145 -0.818 -2.004 1.00 0.00 N ATOM 1503 CA THR A 92 98.041 0.343 -2.947 1.00 0.00 C ATOM 1504 C THR A 92 98.864 1.506 -2.390 1.00 0.00 C ATOM 1505 O THR A 92 98.560 2.660 -2.617 1.00 0.00 O ATOM 1506 CB THR A 92 96.569 0.772 -3.064 1.00 0.00 C ATOM 1507 OG1 THR A 92 96.290 1.776 -2.097 1.00 0.00 O ATOM 1508 CG2 THR A 92 95.663 -0.434 -2.814 1.00 0.00 C ATOM 0 H THR A 92 97.874 -0.611 -1.043 1.00 0.00 H new ATOM 0 HA THR A 92 98.416 0.059 -3.930 1.00 0.00 H new ATOM 0 HB THR A 92 96.386 1.165 -4.064 1.00 0.00 H new ATOM 0 HG1 THR A 92 96.792 2.589 -2.315 1.00 0.00 H new ATOM 0 HG21 THR A 92 94.620 -0.129 -2.897 1.00 0.00 H new ATOM 0 HG22 THR A 92 95.875 -1.207 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 92 95.848 -0.827 -1.814 1.00 0.00 H new ATOM 1516 N SER A 93 99.900 1.209 -1.653 1.00 0.00 N ATOM 1517 CA SER A 93 100.744 2.291 -1.067 1.00 0.00 C ATOM 1518 C SER A 93 102.203 1.828 -1.019 1.00 0.00 C ATOM 1519 O SER A 93 102.964 2.222 -0.159 1.00 0.00 O ATOM 1520 CB SER A 93 100.253 2.587 0.349 1.00 0.00 C ATOM 1521 OG SER A 93 100.813 1.639 1.249 1.00 0.00 O ATOM 0 H SER A 93 100.200 0.260 -1.430 1.00 0.00 H new ATOM 0 HA SER A 93 100.673 3.191 -1.678 1.00 0.00 H new ATOM 0 HB2 SER A 93 100.540 3.597 0.642 1.00 0.00 H new ATOM 0 HB3 SER A 93 99.165 2.541 0.386 1.00 0.00 H new ATOM 0 HG SER A 93 100.501 1.828 2.159 1.00 0.00 H new ATOM 1527 N ALA A 94 102.594 0.987 -1.938 1.00 0.00 N ATOM 1528 CA ALA A 94 103.998 0.487 -1.950 1.00 0.00 C ATOM 1529 C ALA A 94 104.971 1.660 -2.103 1.00 0.00 C ATOM 1530 O ALA A 94 106.015 1.695 -1.483 1.00 0.00 O ATOM 1531 CB ALA A 94 104.180 -0.479 -3.122 1.00 0.00 C ATOM 0 H ALA A 94 101.999 0.624 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 94 104.203 -0.027 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 94 105.206 -0.847 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 94 103.494 -1.319 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 94 103.969 0.040 -4.057 1.00 0.00 H new ATOM 1537 N ALA A 95 104.645 2.618 -2.925 1.00 0.00 N ATOM 1538 CA ALA A 95 105.562 3.777 -3.117 1.00 0.00 C ATOM 1539 C ALA A 95 105.882 4.409 -1.757 1.00 0.00 C ATOM 1540 O ALA A 95 107.026 4.535 -1.370 1.00 0.00 O ATOM 1541 CB ALA A 95 104.880 4.811 -4.030 1.00 0.00 C ATOM 0 H ALA A 95 103.784 2.649 -3.472 1.00 0.00 H new ATOM 0 HA ALA A 95 106.491 3.442 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 95 105.545 5.662 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 95 104.659 4.355 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 95 103.953 5.149 -3.567 1.00 0.00 H new ATOM 1547 N PHE A 96 104.874 4.806 -1.036 1.00 0.00 N ATOM 1548 CA PHE A 96 105.106 5.431 0.300 1.00 0.00 C ATOM 1549 C PHE A 96 105.794 4.440 1.247 1.00 0.00 C ATOM 1550 O PHE A 96 106.673 4.800 2.005 1.00 0.00 O ATOM 1551 CB PHE A 96 103.764 5.845 0.907 1.00 0.00 C ATOM 1552 CG PHE A 96 103.998 6.431 2.278 1.00 0.00 C ATOM 1553 CD1 PHE A 96 104.051 5.587 3.394 1.00 0.00 C ATOM 1554 CD2 PHE A 96 104.172 7.811 2.436 1.00 0.00 C ATOM 1555 CE1 PHE A 96 104.275 6.122 4.667 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.396 8.346 3.710 1.00 0.00 C ATOM 1557 CZ PHE A 96 104.447 7.501 4.826 1.00 0.00 C ATOM 0 H PHE A 96 103.895 4.726 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 96 105.747 6.303 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.271 6.576 0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.101 4.983 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 96 103.919 4.522 3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 96 104.133 8.462 1.575 1.00 0.00 H new ATOM 0 HE1 PHE A 96 104.315 5.470 5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.530 9.411 3.833 1.00 0.00 H new ATOM 0 HZ PHE A 96 104.619 7.914 5.809 1.00 0.00 H new ATOM 1567 N THR A 97 105.384 3.204 1.237 1.00 0.00 N ATOM 1568 CA THR A 97 106.004 2.212 2.160 1.00 0.00 C ATOM 1569 C THR A 97 107.478 1.999 1.794 1.00 0.00 C ATOM 1570 O THR A 97 108.326 1.861 2.651 1.00 0.00 O ATOM 1571 CB THR A 97 105.250 0.882 2.057 1.00 0.00 C ATOM 1572 OG1 THR A 97 103.876 1.100 2.346 1.00 0.00 O ATOM 1573 CG2 THR A 97 105.823 -0.115 3.069 1.00 0.00 C ATOM 0 H THR A 97 104.649 2.837 0.632 1.00 0.00 H new ATOM 0 HA THR A 97 105.946 2.588 3.181 1.00 0.00 H new ATOM 0 HB THR A 97 105.359 0.481 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.435 1.489 1.562 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.285 -1.060 2.994 1.00 0.00 H new ATOM 0 HG22 THR A 97 106.879 -0.281 2.858 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.713 0.286 4.077 1.00 0.00 H new ATOM 1581 N LEU A 98 107.790 1.946 0.529 1.00 0.00 N ATOM 1582 CA LEU A 98 109.209 1.719 0.122 1.00 0.00 C ATOM 1583 C LEU A 98 110.113 2.861 0.606 1.00 0.00 C ATOM 1584 O LEU A 98 111.145 2.633 1.204 1.00 0.00 O ATOM 1585 CB LEU A 98 109.287 1.645 -1.408 1.00 0.00 C ATOM 1586 CG LEU A 98 108.640 0.343 -1.919 1.00 0.00 C ATOM 1587 CD1 LEU A 98 108.256 0.507 -3.395 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.628 -0.828 -1.798 1.00 0.00 C ATOM 0 H LEU A 98 107.128 2.049 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 98 109.550 0.787 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 98 108.781 2.506 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.328 1.691 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 98 107.755 0.136 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 98 107.798 -0.414 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.547 1.329 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.149 0.723 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.157 -1.741 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.517 -0.617 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.912 -0.958 -0.754 1.00 0.00 H new ATOM 1600 N ARG A 99 109.754 4.083 0.322 1.00 0.00 N ATOM 1601 CA ARG A 99 110.618 5.233 0.732 1.00 0.00 C ATOM 1602 C ARG A 99 110.792 5.321 2.259 1.00 0.00 C ATOM 1603 O ARG A 99 111.862 5.641 2.738 1.00 0.00 O ATOM 1604 CB ARG A 99 110.031 6.543 0.189 1.00 0.00 C ATOM 1605 CG ARG A 99 108.635 6.777 0.760 1.00 0.00 C ATOM 1606 CD ARG A 99 108.039 8.061 0.166 1.00 0.00 C ATOM 1607 NE ARG A 99 107.458 7.763 -1.175 1.00 0.00 N ATOM 1608 CZ ARG A 99 106.987 8.732 -1.914 1.00 0.00 C ATOM 1609 NH1 ARG A 99 107.775 9.368 -2.738 1.00 0.00 N ATOM 1610 NH2 ARG A 99 105.727 9.063 -1.831 1.00 0.00 N ATOM 0 H ARG A 99 108.901 4.338 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 99 111.608 5.067 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.682 7.377 0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.984 6.504 -0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.992 5.927 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.685 6.857 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.269 8.458 0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.810 8.826 0.079 1.00 0.00 H new ATOM 0 HE ARG A 99 107.428 6.802 -1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.759 9.108 -2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.406 10.124 -3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 99 105.110 8.565 -1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 99 105.359 9.820 -2.408 1.00 0.00 H new ATOM 1624 N THR A 100 109.767 5.081 3.035 1.00 0.00 N ATOM 1625 CA THR A 100 109.931 5.207 4.520 1.00 0.00 C ATOM 1626 C THR A 100 110.889 4.135 5.070 1.00 0.00 C ATOM 1627 O THR A 100 111.787 4.434 5.830 1.00 0.00 O ATOM 1628 CB THR A 100 108.552 5.123 5.213 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.601 5.855 6.428 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.165 3.670 5.517 1.00 0.00 C ATOM 0 H THR A 100 108.838 4.808 2.715 1.00 0.00 H new ATOM 0 HA THR A 100 110.373 6.180 4.735 1.00 0.00 H new ATOM 0 HB THR A 100 107.803 5.542 4.540 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.729 5.808 6.873 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.190 3.647 6.004 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.119 3.103 4.587 1.00 0.00 H new ATOM 0 HG23 THR A 100 108.910 3.225 6.176 1.00 0.00 H new ATOM 1638 N GLN A 101 110.704 2.894 4.708 1.00 0.00 N ATOM 1639 CA GLN A 101 111.605 1.824 5.234 1.00 0.00 C ATOM 1640 C GLN A 101 113.051 2.111 4.822 1.00 0.00 C ATOM 1641 O GLN A 101 113.977 1.978 5.604 1.00 0.00 O ATOM 1642 CB GLN A 101 111.170 0.475 4.660 1.00 0.00 C ATOM 1643 CG GLN A 101 109.831 0.070 5.278 1.00 0.00 C ATOM 1644 CD GLN A 101 109.391 -1.278 4.707 1.00 0.00 C ATOM 1645 OE1 GLN A 101 109.434 -2.283 5.388 1.00 0.00 O ATOM 1646 NE2 GLN A 101 108.965 -1.341 3.475 1.00 0.00 N ATOM 0 H GLN A 101 109.972 2.574 4.074 1.00 0.00 H new ATOM 0 HA GLN A 101 111.542 1.801 6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.078 0.541 3.576 1.00 0.00 H new ATOM 0 HB3 GLN A 101 111.925 -0.283 4.870 1.00 0.00 H new ATOM 0 HG2 GLN A 101 109.924 0.004 6.362 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.077 0.829 5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 101 108.929 -0.497 2.904 1.00 0.00 H new ATOM 0 HE22 GLN A 101 108.668 -2.235 3.083 1.00 0.00 H new ATOM 1655 N TYR A 102 113.248 2.505 3.599 1.00 0.00 N ATOM 1656 CA TYR A 102 114.622 2.800 3.121 1.00 0.00 C ATOM 1657 C TYR A 102 115.206 3.921 3.984 1.00 0.00 C ATOM 1658 O TYR A 102 116.300 3.826 4.502 1.00 0.00 O ATOM 1659 CB TYR A 102 114.551 3.255 1.660 1.00 0.00 C ATOM 1660 CG TYR A 102 115.939 3.311 1.062 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.782 4.392 1.337 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.377 2.278 0.223 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.064 4.439 0.772 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.656 2.327 -0.342 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.500 3.408 -0.068 1.00 0.00 C ATOM 1666 OH TYR A 102 119.761 3.457 -0.627 1.00 0.00 O ATOM 0 H TYR A 102 112.511 2.636 2.906 1.00 0.00 H new ATOM 0 HA TYR A 102 115.252 1.913 3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.928 2.568 1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.081 4.237 1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.446 5.189 1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.726 1.442 0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.717 5.273 0.985 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.991 1.530 -0.989 1.00 0.00 H new ATOM 0 HH TYR A 102 119.922 2.640 -1.144 1.00 0.00 H new ATOM 1676 N MET A 103 114.473 4.984 4.147 1.00 0.00 N ATOM 1677 CA MET A 103 114.966 6.115 4.976 1.00 0.00 C ATOM 1678 C MET A 103 115.161 5.652 6.422 1.00 0.00 C ATOM 1679 O MET A 103 115.931 6.223 7.167 1.00 0.00 O ATOM 1680 CB MET A 103 113.948 7.257 4.933 1.00 0.00 C ATOM 1681 CG MET A 103 113.949 7.887 3.539 1.00 0.00 C ATOM 1682 SD MET A 103 112.747 9.239 3.483 1.00 0.00 S ATOM 1683 CE MET A 103 113.024 9.719 1.760 1.00 0.00 C ATOM 0 H MET A 103 113.548 5.119 3.739 1.00 0.00 H new ATOM 0 HA MET A 103 115.921 6.463 4.582 1.00 0.00 H new ATOM 0 HB2 MET A 103 112.953 6.881 5.174 1.00 0.00 H new ATOM 0 HB3 MET A 103 114.195 8.008 5.684 1.00 0.00 H new ATOM 0 HG2 MET A 103 114.944 8.261 3.299 1.00 0.00 H new ATOM 0 HG3 MET A 103 113.702 7.136 2.789 1.00 0.00 H new ATOM 0 HE1 MET A 103 112.372 10.555 1.506 1.00 0.00 H new ATOM 0 HE2 MET A 103 114.064 10.017 1.628 1.00 0.00 H new ATOM 0 HE3 MET A 103 112.803 8.875 1.107 1.00 0.00 H new ATOM 1693 N LYS A 104 114.450 4.638 6.833 1.00 0.00 N ATOM 1694 CA LYS A 104 114.579 4.164 8.238 1.00 0.00 C ATOM 1695 C LYS A 104 116.030 3.727 8.530 1.00 0.00 C ATOM 1696 O LYS A 104 116.567 4.054 9.570 1.00 0.00 O ATOM 1697 CB LYS A 104 113.604 2.989 8.459 1.00 0.00 C ATOM 1698 CG LYS A 104 113.122 2.954 9.922 1.00 0.00 C ATOM 1699 CD LYS A 104 111.924 3.895 10.104 1.00 0.00 C ATOM 1700 CE LYS A 104 111.625 4.054 11.592 1.00 0.00 C ATOM 1701 NZ LYS A 104 110.351 4.807 11.766 1.00 0.00 N ATOM 0 H LYS A 104 113.787 4.119 6.257 1.00 0.00 H new ATOM 0 HA LYS A 104 114.331 4.976 8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.749 3.088 7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.096 2.049 8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 104 112.841 1.937 10.196 1.00 0.00 H new ATOM 0 HG3 LYS A 104 113.932 3.251 10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 104 112.140 4.867 9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 104 111.052 3.495 9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 104 111.548 3.075 12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 104 112.442 4.582 12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 110.147 4.915 12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 110.440 5.746 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 109.575 4.286 11.311 1.00 0.00 H new ATOM 1715 N TYR A 105 116.678 2.994 7.642 1.00 0.00 N ATOM 1716 CA TYR A 105 118.100 2.564 7.932 1.00 0.00 C ATOM 1717 C TYR A 105 118.970 2.529 6.670 1.00 0.00 C ATOM 1718 O TYR A 105 120.122 2.150 6.744 1.00 0.00 O ATOM 1719 CB TYR A 105 118.115 1.155 8.531 1.00 0.00 C ATOM 1720 CG TYR A 105 117.343 1.130 9.821 1.00 0.00 C ATOM 1721 CD1 TYR A 105 117.955 1.530 11.015 1.00 0.00 C ATOM 1722 CD2 TYR A 105 116.012 0.707 9.822 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.229 1.504 12.212 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.287 0.682 11.014 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.893 1.082 12.211 1.00 0.00 C ATOM 1726 OH TYR A 105 115.176 1.058 13.390 1.00 0.00 O ATOM 0 H TYR A 105 116.297 2.680 6.749 1.00 0.00 H new ATOM 0 HA TYR A 105 118.504 3.299 8.628 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.680 0.447 7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.143 0.838 8.708 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.984 1.858 11.013 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.543 0.399 8.899 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.699 1.809 13.135 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.258 0.354 11.013 1.00 0.00 H new ATOM 0 HH TYR A 105 114.266 0.741 13.213 1.00 0.00 H new ATOM 1736 N LEU A 106 118.455 2.886 5.517 1.00 0.00 N ATOM 1737 CA LEU A 106 119.297 2.821 4.270 1.00 0.00 C ATOM 1738 C LEU A 106 119.651 4.226 3.764 1.00 0.00 C ATOM 1739 O LEU A 106 120.443 4.370 2.854 1.00 0.00 O ATOM 1740 CB LEU A 106 118.529 2.046 3.185 1.00 0.00 C ATOM 1741 CG LEU A 106 118.649 0.522 3.439 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.428 -0.207 2.865 1.00 0.00 C ATOM 1743 CD2 LEU A 106 119.918 -0.020 2.762 1.00 0.00 C ATOM 0 H LEU A 106 117.500 3.217 5.381 1.00 0.00 H new ATOM 0 HA LEU A 106 120.230 2.308 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.480 2.342 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 106 118.927 2.292 2.200 1.00 0.00 H new ATOM 0 HG LEU A 106 118.702 0.351 4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.523 -1.277 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.523 0.165 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.369 -0.028 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 106 119.998 -1.092 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 106 119.864 0.163 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.793 0.484 3.173 1.00 0.00 H new ATOM 1755 N TYR A 107 119.105 5.269 4.338 1.00 0.00 N ATOM 1756 CA TYR A 107 119.478 6.636 3.853 1.00 0.00 C ATOM 1757 C TYR A 107 120.836 7.054 4.459 1.00 0.00 C ATOM 1758 O TYR A 107 121.625 7.688 3.789 1.00 0.00 O ATOM 1759 CB TYR A 107 118.369 7.662 4.174 1.00 0.00 C ATOM 1760 CG TYR A 107 118.911 9.074 4.093 1.00 0.00 C ATOM 1761 CD1 TYR A 107 118.884 9.762 2.873 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.434 9.692 5.234 1.00 0.00 C ATOM 1763 CE1 TYR A 107 119.379 11.070 2.795 1.00 0.00 C ATOM 1764 CE2 TYR A 107 119.930 10.999 5.158 1.00 0.00 C ATOM 1765 CZ TYR A 107 119.902 11.689 3.938 1.00 0.00 C ATOM 1766 OH TYR A 107 120.389 12.978 3.865 1.00 0.00 O ATOM 0 H TYR A 107 118.432 5.238 5.104 1.00 0.00 H new ATOM 0 HA TYR A 107 119.581 6.610 2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.542 7.543 3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 107 117.971 7.476 5.172 1.00 0.00 H new ATOM 0 HD1 TYR A 107 118.481 9.284 1.992 1.00 0.00 H new ATOM 0 HD2 TYR A 107 119.455 9.161 6.174 1.00 0.00 H new ATOM 0 HE1 TYR A 107 119.358 11.601 1.855 1.00 0.00 H new ATOM 0 HE2 TYR A 107 120.334 11.476 6.039 1.00 0.00 H new ATOM 0 HH TYR A 107 120.266 13.424 4.729 1.00 0.00 H new ATOM 1776 N PRO A 108 121.142 6.698 5.696 1.00 0.00 N ATOM 1777 CA PRO A 108 122.460 7.073 6.278 1.00 0.00 C ATOM 1778 C PRO A 108 123.575 6.202 5.679 1.00 0.00 C ATOM 1779 O PRO A 108 124.628 6.680 5.307 1.00 0.00 O ATOM 1780 CB PRO A 108 122.261 6.780 7.783 1.00 0.00 C ATOM 1781 CG PRO A 108 120.833 6.230 7.983 1.00 0.00 C ATOM 1782 CD PRO A 108 120.241 5.926 6.597 1.00 0.00 C ATOM 0 HA PRO A 108 122.755 8.104 6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 108 122.999 6.057 8.130 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.404 7.688 8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 108 120.855 5.328 8.594 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.215 6.957 8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.256 4.860 6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.205 6.254 6.516 1.00 0.00 H new ATOM 1790 N TYR A 109 123.329 4.921 5.589 1.00 0.00 N ATOM 1791 CA TYR A 109 124.341 3.987 5.019 1.00 0.00 C ATOM 1792 C TYR A 109 124.650 4.388 3.574 1.00 0.00 C ATOM 1793 O TYR A 109 125.792 4.533 3.189 1.00 0.00 O ATOM 1794 CB TYR A 109 123.763 2.570 5.049 1.00 0.00 C ATOM 1795 CG TYR A 109 124.827 1.568 4.671 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.913 1.357 5.528 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.724 0.841 3.477 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.896 0.422 5.193 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.710 -0.094 3.143 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.796 -0.303 3.999 1.00 0.00 C ATOM 1801 OH TYR A 109 127.765 -1.227 3.669 1.00 0.00 O ATOM 0 H TYR A 109 122.460 4.479 5.890 1.00 0.00 H new ATOM 0 HA TYR A 109 125.261 4.027 5.602 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.379 2.346 6.044 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.922 2.497 4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.991 1.917 6.448 1.00 0.00 H new ATOM 0 HD2 TYR A 109 123.885 1.002 2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.733 0.258 5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.632 -0.655 2.223 1.00 0.00 H new ATOM 0 HH TYR A 109 127.543 -1.641 2.809 1.00 0.00 H new ATOM 1811 N GLU A 110 123.634 4.576 2.776 1.00 0.00 N ATOM 1812 CA GLU A 110 123.853 4.977 1.364 1.00 0.00 C ATOM 1813 C GLU A 110 124.678 6.268 1.334 1.00 0.00 C ATOM 1814 O GLU A 110 125.662 6.381 0.631 1.00 0.00 O ATOM 1815 CB GLU A 110 122.488 5.232 0.720 1.00 0.00 C ATOM 1816 CG GLU A 110 122.667 5.642 -0.743 1.00 0.00 C ATOM 1817 CD GLU A 110 121.294 5.708 -1.417 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.312 5.829 -0.705 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.247 5.623 -2.634 1.00 0.00 O ATOM 0 H GLU A 110 122.657 4.467 3.047 1.00 0.00 H new ATOM 0 HA GLU A 110 124.384 4.194 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.874 4.333 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 110 121.961 6.016 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.163 6.611 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.305 4.925 -1.259 1.00 0.00 H new ATOM 1826 N CYS A 111 124.263 7.246 2.095 1.00 0.00 N ATOM 1827 CA CYS A 111 124.986 8.552 2.131 1.00 0.00 C ATOM 1828 C CYS A 111 126.410 8.395 2.689 1.00 0.00 C ATOM 1829 O CYS A 111 127.339 9.016 2.220 1.00 0.00 O ATOM 1830 CB CYS A 111 124.205 9.524 3.019 1.00 0.00 C ATOM 1831 SG CYS A 111 125.063 11.117 3.079 1.00 0.00 S ATOM 0 H CYS A 111 123.444 7.195 2.701 1.00 0.00 H new ATOM 0 HA CYS A 111 125.062 8.931 1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 111 123.196 9.658 2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 111 124.107 9.115 4.024 1.00 0.00 H new ATOM 0 HG CYS A 111 124.504 11.943 2.245 1.00 0.00 H new ATOM 1837 N GLU A 112 126.592 7.601 3.704 1.00 0.00 N ATOM 1838 CA GLU A 112 127.960 7.460 4.286 1.00 0.00 C ATOM 1839 C GLU A 112 128.909 6.823 3.266 1.00 0.00 C ATOM 1840 O GLU A 112 130.015 7.282 3.066 1.00 0.00 O ATOM 1841 CB GLU A 112 127.883 6.579 5.541 1.00 0.00 C ATOM 1842 CG GLU A 112 129.268 6.454 6.193 1.00 0.00 C ATOM 1843 CD GLU A 112 129.740 7.830 6.671 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.903 8.704 6.821 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.931 7.982 6.886 1.00 0.00 O ATOM 0 H GLU A 112 125.863 7.047 4.155 1.00 0.00 H new ATOM 0 HA GLU A 112 128.342 8.447 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.177 7.008 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.508 5.590 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 112 129.224 5.762 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.981 6.042 5.479 1.00 0.00 H new ATOM 1852 N LYS A 113 128.498 5.758 2.639 1.00 0.00 N ATOM 1853 CA LYS A 113 129.391 5.080 1.655 1.00 0.00 C ATOM 1854 C LYS A 113 129.583 5.924 0.385 1.00 0.00 C ATOM 1855 O LYS A 113 130.664 5.958 -0.171 1.00 0.00 O ATOM 1856 CB LYS A 113 128.776 3.733 1.263 1.00 0.00 C ATOM 1857 CG LYS A 113 128.743 2.778 2.468 1.00 0.00 C ATOM 1858 CD LYS A 113 130.158 2.279 2.810 1.00 0.00 C ATOM 1859 CE LYS A 113 130.060 1.011 3.662 1.00 0.00 C ATOM 1860 NZ LYS A 113 131.428 0.498 3.956 1.00 0.00 N ATOM 0 H LYS A 113 127.582 5.326 2.764 1.00 0.00 H new ATOM 0 HA LYS A 113 130.365 4.942 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.765 3.886 0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 113 129.354 3.286 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 113 128.314 3.288 3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 113 128.097 1.929 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 113 130.714 2.073 1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 113 130.707 3.051 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 113 129.534 1.226 4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 113 129.481 0.252 3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 131.383 -0.524 4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 132.048 0.674 3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 131.810 0.986 4.791 1.00 0.00 H new ATOM 1874 N LYS A 114 128.545 6.568 -0.110 1.00 0.00 N ATOM 1875 CA LYS A 114 128.681 7.362 -1.384 1.00 0.00 C ATOM 1876 C LYS A 114 128.308 8.843 -1.185 1.00 0.00 C ATOM 1877 O LYS A 114 128.687 9.683 -1.978 1.00 0.00 O ATOM 1878 CB LYS A 114 127.753 6.746 -2.436 1.00 0.00 C ATOM 1879 CG LYS A 114 128.092 5.258 -2.634 1.00 0.00 C ATOM 1880 CD LYS A 114 129.446 5.102 -3.340 1.00 0.00 C ATOM 1881 CE LYS A 114 129.583 3.674 -3.875 1.00 0.00 C ATOM 1882 NZ LYS A 114 130.934 3.499 -4.478 1.00 0.00 N ATOM 0 H LYS A 114 127.615 6.579 0.309 1.00 0.00 H new ATOM 0 HA LYS A 114 129.722 7.326 -1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.714 6.852 -2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.857 7.279 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 114 128.119 4.754 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 114 127.311 4.777 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 114 129.526 5.817 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 114 130.257 5.321 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 114 129.437 2.956 -3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 114 128.812 3.477 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 131.029 2.529 -4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 131.056 4.175 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 131.662 3.670 -3.755 1.00 0.00 H new ATOM 1896 N ASN A 115 127.575 9.183 -0.160 1.00 0.00 N ATOM 1897 CA ASN A 115 127.203 10.621 0.034 1.00 0.00 C ATOM 1898 C ASN A 115 126.505 11.145 -1.224 1.00 0.00 C ATOM 1899 O ASN A 115 126.868 12.166 -1.772 1.00 0.00 O ATOM 1900 CB ASN A 115 128.464 11.448 0.301 1.00 0.00 C ATOM 1901 CG ASN A 115 128.067 12.823 0.844 1.00 0.00 C ATOM 1902 OD1 ASN A 115 126.900 13.159 0.884 1.00 0.00 O ATOM 1903 ND2 ASN A 115 128.994 13.637 1.267 1.00 0.00 N ATOM 0 H ASN A 115 127.219 8.539 0.546 1.00 0.00 H new ATOM 0 HA ASN A 115 126.528 10.706 0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.104 10.933 1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.039 11.560 -0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 115 128.739 14.555 1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 115 129.974 13.356 1.234 1.00 0.00 H new ATOM 1910 N LEU A 116 125.511 10.440 -1.689 1.00 0.00 N ATOM 1911 CA LEU A 116 124.784 10.873 -2.917 1.00 0.00 C ATOM 1912 C LEU A 116 124.142 12.245 -2.694 1.00 0.00 C ATOM 1913 O LEU A 116 124.127 13.085 -3.571 1.00 0.00 O ATOM 1914 CB LEU A 116 123.665 9.873 -3.212 1.00 0.00 C ATOM 1915 CG LEU A 116 124.208 8.445 -3.187 1.00 0.00 C ATOM 1916 CD1 LEU A 116 123.054 7.474 -3.427 1.00 0.00 C ATOM 1917 CD2 LEU A 116 125.258 8.267 -4.289 1.00 0.00 C ATOM 0 H LEU A 116 125.168 9.576 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 116 125.491 10.924 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 116 122.869 9.979 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.226 10.085 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 116 124.670 8.247 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.430 6.451 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.306 7.598 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.601 7.679 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.641 7.247 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.803 8.461 -5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 116 126.078 8.966 -4.126 1.00 0.00 H new ATOM 1929 N SER A 117 123.578 12.462 -1.536 1.00 0.00 N ATOM 1930 CA SER A 117 122.895 13.761 -1.260 1.00 0.00 C ATOM 1931 C SER A 117 123.096 14.155 0.207 1.00 0.00 C ATOM 1932 O SER A 117 123.759 13.468 0.960 1.00 0.00 O ATOM 1933 CB SER A 117 121.399 13.586 -1.553 1.00 0.00 C ATOM 1934 OG SER A 117 121.150 13.888 -2.919 1.00 0.00 O ATOM 0 H SER A 117 123.560 11.793 -0.766 1.00 0.00 H new ATOM 0 HA SER A 117 123.313 14.547 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.091 12.564 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 117 120.812 14.242 -0.911 1.00 0.00 H new ATOM 0 HG SER A 117 120.689 14.750 -2.985 1.00 0.00 H new ATOM 1940 N THR A 118 122.513 15.259 0.615 1.00 0.00 N ATOM 1941 CA THR A 118 122.641 15.722 2.030 1.00 0.00 C ATOM 1942 C THR A 118 121.228 16.027 2.549 1.00 0.00 C ATOM 1943 O THR A 118 120.358 16.371 1.774 1.00 0.00 O ATOM 1944 CB THR A 118 123.490 16.999 2.059 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.073 17.864 1.011 1.00 0.00 O ATOM 1946 CG2 THR A 118 124.964 16.639 1.866 1.00 0.00 C ATOM 0 H THR A 118 121.948 15.864 0.019 1.00 0.00 H new ATOM 0 HA THR A 118 123.117 14.963 2.651 1.00 0.00 H new ATOM 0 HB THR A 118 123.363 17.499 3.019 1.00 0.00 H new ATOM 0 HG1 THR A 118 123.613 18.682 1.028 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.566 17.547 1.887 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.284 15.973 2.668 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.094 16.140 0.906 1.00 0.00 H new ATOM 1954 N PRO A 119 120.976 15.901 3.832 1.00 0.00 N ATOM 1955 CA PRO A 119 119.613 16.181 4.357 1.00 0.00 C ATOM 1956 C PRO A 119 119.069 17.524 3.848 1.00 0.00 C ATOM 1957 O PRO A 119 117.876 17.754 3.821 1.00 0.00 O ATOM 1958 CB PRO A 119 119.835 16.185 5.887 1.00 0.00 C ATOM 1959 CG PRO A 119 121.327 15.896 6.164 1.00 0.00 C ATOM 1960 CD PRO A 119 121.995 15.491 4.839 1.00 0.00 C ATOM 0 HA PRO A 119 118.868 15.454 4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.551 17.149 6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.208 15.431 6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.814 16.778 6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.429 15.098 6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 119 122.945 16.004 4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.201 14.421 4.797 1.00 0.00 H new ATOM 1968 N ALA A 120 119.939 18.408 3.441 1.00 0.00 N ATOM 1969 CA ALA A 120 119.480 19.733 2.932 1.00 0.00 C ATOM 1970 C ALA A 120 118.779 19.561 1.580 1.00 0.00 C ATOM 1971 O ALA A 120 117.627 19.916 1.409 1.00 0.00 O ATOM 1972 CB ALA A 120 120.683 20.659 2.768 1.00 0.00 C ATOM 0 H ALA A 120 120.950 18.270 3.439 1.00 0.00 H new ATOM 0 HA ALA A 120 118.778 20.166 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.349 21.627 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.175 20.791 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.385 20.221 2.059 1.00 0.00 H new ATOM 1978 N GLU A 121 119.471 19.018 0.615 1.00 0.00 N ATOM 1979 CA GLU A 121 118.853 18.828 -0.722 1.00 0.00 C ATOM 1980 C GLU A 121 117.757 17.770 -0.617 1.00 0.00 C ATOM 1981 O GLU A 121 116.841 17.731 -1.411 1.00 0.00 O ATOM 1982 CB GLU A 121 119.923 18.385 -1.720 1.00 0.00 C ATOM 1983 CG GLU A 121 120.653 17.165 -1.173 1.00 0.00 C ATOM 1984 CD GLU A 121 121.722 16.722 -2.174 1.00 0.00 C ATOM 1985 OE1 GLU A 121 121.351 16.226 -3.226 1.00 0.00 O ATOM 1986 OE2 GLU A 121 122.893 16.888 -1.874 1.00 0.00 O ATOM 0 H GLU A 121 120.436 18.699 0.698 1.00 0.00 H new ATOM 0 HA GLU A 121 118.417 19.765 -1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 121 119.464 18.148 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 121 120.629 19.196 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.113 17.402 -0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 121 119.947 16.354 -0.996 1.00 0.00 H new ATOM 1993 N LEU A 122 117.829 16.920 0.371 1.00 0.00 N ATOM 1994 CA LEU A 122 116.765 15.893 0.524 1.00 0.00 C ATOM 1995 C LEU A 122 115.435 16.617 0.709 1.00 0.00 C ATOM 1996 O LEU A 122 114.435 16.263 0.117 1.00 0.00 O ATOM 1997 CB LEU A 122 117.063 15.010 1.741 1.00 0.00 C ATOM 1998 CG LEU A 122 115.941 13.979 1.944 1.00 0.00 C ATOM 1999 CD1 LEU A 122 115.769 13.119 0.680 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.305 13.075 3.126 1.00 0.00 C ATOM 0 H LEU A 122 118.571 16.893 1.071 1.00 0.00 H new ATOM 0 HA LEU A 122 116.723 15.253 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.015 14.498 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.162 15.630 2.632 1.00 0.00 H new ATOM 0 HG LEU A 122 115.006 14.502 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 122 114.971 12.394 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.514 13.760 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.700 12.593 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.515 12.340 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.243 12.561 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.416 13.680 4.026 1.00 0.00 H new ATOM 2012 N GLN A 123 115.420 17.647 1.515 1.00 0.00 N ATOM 2013 CA GLN A 123 114.157 18.405 1.713 1.00 0.00 C ATOM 2014 C GLN A 123 113.713 18.955 0.362 1.00 0.00 C ATOM 2015 O GLN A 123 112.546 18.929 0.022 1.00 0.00 O ATOM 2016 CB GLN A 123 114.388 19.559 2.693 1.00 0.00 C ATOM 2017 CG GLN A 123 113.043 20.194 3.053 1.00 0.00 C ATOM 2018 CD GLN A 123 112.236 19.221 3.916 1.00 0.00 C ATOM 2019 OE1 GLN A 123 112.577 18.977 5.056 1.00 0.00 O ATOM 2020 NE2 GLN A 123 111.178 18.647 3.413 1.00 0.00 N ATOM 0 H GLN A 123 116.224 17.991 2.040 1.00 0.00 H new ATOM 0 HA GLN A 123 113.388 17.750 2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 123 114.883 19.194 3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 123 115.047 20.304 2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 123 113.202 21.129 3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 123 112.489 20.438 2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 123 110.893 18.853 2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 123 110.636 17.992 3.977 1.00 0.00 H new ATOM 2029 N ALA A 124 114.639 19.430 -0.429 1.00 0.00 N ATOM 2030 CA ALA A 124 114.260 19.948 -1.771 1.00 0.00 C ATOM 2031 C ALA A 124 113.612 18.802 -2.547 1.00 0.00 C ATOM 2032 O ALA A 124 112.643 18.982 -3.258 1.00 0.00 O ATOM 2033 CB ALA A 124 115.503 20.448 -2.514 1.00 0.00 C ATOM 0 H ALA A 124 115.633 19.481 -0.204 1.00 0.00 H new ATOM 0 HA ALA A 124 113.566 20.783 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.214 20.825 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 124 115.972 21.249 -1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.210 19.627 -2.635 1.00 0.00 H new ATOM 2039 N ALA A 125 114.140 17.615 -2.398 1.00 0.00 N ATOM 2040 CA ALA A 125 113.561 16.439 -3.103 1.00 0.00 C ATOM 2041 C ALA A 125 112.188 16.128 -2.507 1.00 0.00 C ATOM 2042 O ALA A 125 111.259 15.783 -3.211 1.00 0.00 O ATOM 2043 CB ALA A 125 114.482 15.227 -2.926 1.00 0.00 C ATOM 0 H ALA A 125 114.952 17.411 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 125 113.461 16.661 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.056 14.367 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 125 115.463 15.452 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.583 14.999 -1.865 1.00 0.00 H new ATOM 2049 N ILE A 126 112.047 16.246 -1.212 1.00 0.00 N ATOM 2050 CA ILE A 126 110.726 15.953 -0.587 1.00 0.00 C ATOM 2051 C ILE A 126 109.731 17.044 -0.979 1.00 0.00 C ATOM 2052 O ILE A 126 108.594 16.770 -1.296 1.00 0.00 O ATOM 2053 CB ILE A 126 110.872 15.910 0.937 1.00 0.00 C ATOM 2054 CG1 ILE A 126 111.761 14.727 1.328 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.493 15.742 1.580 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.115 14.815 2.814 1.00 0.00 C ATOM 0 H ILE A 126 112.784 16.530 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 126 110.364 14.986 -0.937 1.00 0.00 H new ATOM 0 HB ILE A 126 111.324 16.839 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.245 13.789 1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.670 14.729 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 126 109.598 15.712 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 126 108.857 16.582 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.041 14.813 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 126 112.748 13.971 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 126 112.648 15.746 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.201 14.791 3.408 1.00 0.00 H new ATOM 2068 N ASP A 127 110.147 18.280 -0.977 1.00 0.00 N ATOM 2069 CA ASP A 127 109.213 19.370 -1.374 1.00 0.00 C ATOM 2070 C ASP A 127 109.042 19.334 -2.895 1.00 0.00 C ATOM 2071 O ASP A 127 107.965 19.526 -3.417 1.00 0.00 O ATOM 2072 CB ASP A 127 109.790 20.724 -0.956 1.00 0.00 C ATOM 2073 CG ASP A 127 108.702 21.796 -1.054 1.00 0.00 C ATOM 2074 OD1 ASP A 127 107.611 21.466 -1.486 1.00 0.00 O ATOM 2075 OD2 ASP A 127 108.977 22.927 -0.686 1.00 0.00 O ATOM 0 H ASP A 127 111.087 18.581 -0.719 1.00 0.00 H new ATOM 0 HA ASP A 127 108.249 19.230 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 127 110.171 20.670 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 127 110.632 20.986 -1.597 1.00 0.00 H new ATOM 2080 N GLY A 128 110.114 19.092 -3.600 1.00 0.00 N ATOM 2081 CA GLY A 128 110.059 19.043 -5.091 1.00 0.00 C ATOM 2082 C GLY A 128 109.115 17.934 -5.567 1.00 0.00 C ATOM 2083 O GLY A 128 108.572 18.002 -6.652 1.00 0.00 O ATOM 0 H GLY A 128 111.038 18.924 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 128 109.722 20.004 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 128 111.059 18.872 -5.490 1.00 0.00 H new ATOM 2087 N ASN A 129 108.927 16.903 -4.788 1.00 0.00 N ATOM 2088 CA ASN A 129 108.033 15.796 -5.239 1.00 0.00 C ATOM 2089 C ASN A 129 106.624 16.342 -5.485 1.00 0.00 C ATOM 2090 O ASN A 129 105.839 15.755 -6.202 1.00 0.00 O ATOM 2091 CB ASN A 129 107.980 14.695 -4.173 1.00 0.00 C ATOM 2092 CG ASN A 129 107.274 15.212 -2.918 1.00 0.00 C ATOM 2093 OD1 ASN A 129 106.878 16.357 -2.855 1.00 0.00 O ATOM 2094 ND2 ASN A 129 107.098 14.407 -1.905 1.00 0.00 N ATOM 0 H ASN A 129 109.349 16.779 -3.868 1.00 0.00 H new ATOM 0 HA ASN A 129 108.427 15.375 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 129 107.453 13.825 -4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 129 108.990 14.370 -3.924 1.00 0.00 H new ATOM 0 HD21 ASN A 129 106.629 14.741 -1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 129 107.430 13.444 -1.955 1.00 0.00 H new ATOM 2101 N ARG A 130 106.300 17.461 -4.899 1.00 0.00 N ATOM 2102 CA ARG A 130 104.944 18.043 -5.103 1.00 0.00 C ATOM 2103 C ARG A 130 104.637 18.110 -6.601 1.00 0.00 C ATOM 2104 O ARG A 130 103.512 17.923 -7.022 1.00 0.00 O ATOM 2105 CB ARG A 130 104.902 19.450 -4.503 1.00 0.00 C ATOM 2106 CG ARG A 130 105.830 20.381 -5.291 1.00 0.00 C ATOM 2107 CD ARG A 130 105.972 21.707 -4.539 1.00 0.00 C ATOM 2108 NE ARG A 130 106.968 22.574 -5.231 1.00 0.00 N ATOM 2109 CZ ARG A 130 107.134 23.811 -4.848 1.00 0.00 C ATOM 2110 NH1 ARG A 130 106.210 24.699 -5.092 1.00 0.00 N ATOM 2111 NH2 ARG A 130 108.222 24.159 -4.217 1.00 0.00 N ATOM 0 H ARG A 130 106.915 17.998 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 130 104.199 17.417 -4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 130 103.882 19.834 -4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 130 105.207 19.418 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 130 106.807 19.916 -5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 130 105.427 20.556 -6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 130 105.008 22.213 -4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 130 106.288 21.522 -3.512 1.00 0.00 H new ATOM 0 HE ARG A 130 107.520 22.201 -6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 130 105.358 24.427 -5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 130 106.340 25.665 -4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 130 108.943 23.464 -4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 130 108.351 25.126 -3.918 1.00 0.00 H new TER 2125 ARG A 130