USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 968 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 75 ASN : amide:sc= -0.933 K(o=-1.7,f=-8.5!) USER MOD Set 1.2: A 90 MET CE :methyl 175:sc= -0.806 (180deg=-0.0677) USER MOD Set 2.1: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0927 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -14:sc= -0.722 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0724 K(o=-0.072,f=-0.58) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0641 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.12) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= -0.0106 (180deg=-0.139) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 53 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.33) USER MOD Single : A 54 LYS NZ :NH3+ -126:sc= -0.113 (180deg=-2.32!) USER MOD Single : A 55 ASN : amide:sc=-0.00642 X(o=-0.0064,f=-0.36) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0629 K(o=-0.063,f=-0.75) USER MOD Single : A 59 MET CE :methyl 175:sc= -4.84! (180deg=-4.92!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -114:sc= -1.41 (180deg=-5.49!) USER MOD Single : A 70 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-0.76) USER MOD Single : A 71 TYR OH : rot -21:sc= -0.204 USER MOD Single : A 72 TYR OH : rot -18:sc= 0.356 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -129:sc= -0.486 (180deg=-1.73) USER MOD Single : A 83 GLN : amide:sc= -3.09! C(o=-3.1!,f=-4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -57:sc= 0.615 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 106 HIS : no HD1:sc= -2.49! X(o=-2.5!,f=-2) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.222 27.789 16.622 1.00 0.00 N ATOM 2 CA GLY A 1 -27.293 27.408 17.670 1.00 0.00 C ATOM 3 C GLY A 1 -27.142 25.905 17.794 1.00 0.00 C ATOM 4 O GLY A 1 -27.929 25.249 18.476 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.290 28.826 16.578 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.883 27.425 15.709 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.160 27.389 16.827 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.319 27.852 17.466 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.636 27.815 18.621 1.00 0.00 H new ATOM 8 N SER A 2 -26.128 25.358 17.130 1.00 0.00 N ATOM 9 CA SER A 2 -25.880 23.921 17.164 1.00 0.00 C ATOM 10 C SER A 2 -24.430 23.629 17.540 1.00 0.00 C ATOM 11 O SER A 2 -23.506 23.963 16.800 1.00 0.00 O ATOM 12 CB SER A 2 -26.202 23.294 15.806 1.00 0.00 C ATOM 13 OG SER A 2 -27.601 23.162 15.625 1.00 0.00 O ATOM 0 H SER A 2 -25.466 25.887 16.563 1.00 0.00 H new ATOM 0 HA SER A 2 -26.530 23.483 17.922 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.785 23.910 15.009 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.728 22.315 15.732 1.00 0.00 H new ATOM 0 HG SER A 2 -27.781 22.761 14.749 1.00 0.00 H new ATOM 19 N SER A 3 -24.241 23.004 18.698 1.00 0.00 N ATOM 20 CA SER A 3 -22.904 22.669 19.176 1.00 0.00 C ATOM 21 C SER A 3 -22.763 21.165 19.385 1.00 0.00 C ATOM 22 O SER A 3 -23.743 20.467 19.642 1.00 0.00 O ATOM 23 CB SER A 3 -22.608 23.407 20.483 1.00 0.00 C ATOM 24 OG SER A 3 -23.632 23.186 21.437 1.00 0.00 O ATOM 0 H SER A 3 -24.996 22.720 19.322 1.00 0.00 H new ATOM 0 HA SER A 3 -22.185 22.982 18.419 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.653 23.071 20.886 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.513 24.475 20.288 1.00 0.00 H new ATOM 0 HG SER A 3 -23.418 23.667 22.264 1.00 0.00 H new ATOM 30 N GLY A 4 -21.533 20.671 19.272 1.00 0.00 N ATOM 31 CA GLY A 4 -21.284 19.252 19.452 1.00 0.00 C ATOM 32 C GLY A 4 -21.154 18.516 18.133 1.00 0.00 C ATOM 33 O GLY A 4 -21.676 18.961 17.111 1.00 0.00 O ATOM 0 H GLY A 4 -20.705 21.228 19.059 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.371 19.117 20.032 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.097 18.814 20.031 1.00 0.00 H new ATOM 37 N SER A 5 -20.456 17.385 18.155 1.00 0.00 N ATOM 38 CA SER A 5 -20.254 16.587 16.951 1.00 0.00 C ATOM 39 C SER A 5 -20.077 15.113 17.300 1.00 0.00 C ATOM 40 O SER A 5 -19.705 14.769 18.422 1.00 0.00 O ATOM 41 CB SER A 5 -19.033 17.091 16.179 1.00 0.00 C ATOM 42 OG SER A 5 -18.610 16.139 15.218 1.00 0.00 O ATOM 0 H SER A 5 -20.021 17.000 18.994 1.00 0.00 H new ATOM 0 HA SER A 5 -21.139 16.690 16.323 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.275 18.031 15.683 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.219 17.298 16.874 1.00 0.00 H new ATOM 0 HG SER A 5 -17.830 16.485 14.737 1.00 0.00 H new ATOM 48 N SER A 6 -20.347 14.245 16.330 1.00 0.00 N ATOM 49 CA SER A 6 -20.222 12.807 16.534 1.00 0.00 C ATOM 50 C SER A 6 -19.399 12.169 15.419 1.00 0.00 C ATOM 51 O SER A 6 -19.811 12.151 14.260 1.00 0.00 O ATOM 52 CB SER A 6 -21.606 12.157 16.596 1.00 0.00 C ATOM 53 OG SER A 6 -22.440 12.823 17.528 1.00 0.00 O ATOM 0 H SER A 6 -20.654 14.513 15.395 1.00 0.00 H new ATOM 0 HA SER A 6 -19.708 12.643 17.481 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.067 12.181 15.609 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.507 11.108 16.876 1.00 0.00 H new ATOM 0 HG SER A 6 -23.319 12.390 17.548 1.00 0.00 H new ATOM 59 N GLY A 7 -18.230 11.647 15.779 1.00 0.00 N ATOM 60 CA GLY A 7 -17.366 11.016 14.799 1.00 0.00 C ATOM 61 C GLY A 7 -15.937 11.515 14.879 1.00 0.00 C ATOM 62 O GLY A 7 -15.696 12.682 15.189 1.00 0.00 O ATOM 0 H GLY A 7 -17.866 11.650 16.732 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.379 9.936 14.949 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.758 11.204 13.799 1.00 0.00 H new ATOM 66 N CYS A 8 -14.987 10.629 14.601 1.00 0.00 N ATOM 67 CA CYS A 8 -13.573 10.985 14.646 1.00 0.00 C ATOM 68 C CYS A 8 -13.101 11.509 13.294 1.00 0.00 C ATOM 69 O CYS A 8 -13.412 10.933 12.251 1.00 0.00 O ATOM 70 CB CYS A 8 -12.734 9.775 15.059 1.00 0.00 C ATOM 71 SG CYS A 8 -13.014 9.228 16.760 1.00 0.00 S ATOM 0 H CYS A 8 -15.170 9.659 14.342 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.446 11.775 15.386 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.951 8.948 14.383 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.679 10.019 14.936 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.261 8.199 17.014 1.00 0.00 H new ATOM 77 N ARG A 9 -12.350 12.605 13.319 1.00 0.00 N ATOM 78 CA ARG A 9 -11.838 13.208 12.095 1.00 0.00 C ATOM 79 C ARG A 9 -10.315 13.125 12.043 1.00 0.00 C ATOM 80 O ARG A 9 -9.617 14.045 12.474 1.00 0.00 O ATOM 81 CB ARG A 9 -12.283 14.669 11.995 1.00 0.00 C ATOM 82 CG ARG A 9 -12.479 15.150 10.567 1.00 0.00 C ATOM 83 CD ARG A 9 -13.836 14.734 10.021 1.00 0.00 C ATOM 84 NE ARG A 9 -14.912 15.587 10.519 1.00 0.00 N ATOM 85 CZ ARG A 9 -15.256 16.740 9.955 1.00 0.00 C ATOM 86 NH1 ARG A 9 -14.613 17.174 8.880 1.00 0.00 N ATOM 87 NH2 ARG A 9 -16.246 17.460 10.466 1.00 0.00 N ATOM 0 H ARG A 9 -12.083 13.093 14.174 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.244 12.653 11.250 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.217 14.794 12.543 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.541 15.300 12.483 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.389 16.236 10.532 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.690 14.744 9.933 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.816 14.774 8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.036 13.699 10.298 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.427 15.281 11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.852 16.622 8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.879 18.059 8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.744 17.129 11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.509 18.345 10.033 1.00 0.00 H new ATOM 101 N LEU A 10 -9.805 12.018 11.515 1.00 0.00 N ATOM 102 CA LEU A 10 -8.365 11.814 11.408 1.00 0.00 C ATOM 103 C LEU A 10 -8.020 11.016 10.154 1.00 0.00 C ATOM 104 O LEU A 10 -8.893 10.705 9.343 1.00 0.00 O ATOM 105 CB LEU A 10 -7.839 11.090 12.648 1.00 0.00 C ATOM 106 CG LEU A 10 -8.303 11.644 13.996 1.00 0.00 C ATOM 107 CD1 LEU A 10 -8.197 10.578 15.076 1.00 0.00 C ATOM 108 CD2 LEU A 10 -7.491 12.873 14.376 1.00 0.00 C ATOM 0 H LEU A 10 -10.368 11.248 11.154 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.889 12.792 11.337 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.136 10.043 12.586 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.750 11.114 12.623 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.349 11.938 13.906 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.531 10.990 16.028 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.823 9.726 14.809 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.161 10.252 15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.835 13.253 15.338 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.437 12.605 14.448 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.618 13.643 13.615 1.00 0.00 H new ATOM 120 N LEU A 11 -6.742 10.686 10.003 1.00 0.00 N ATOM 121 CA LEU A 11 -6.281 9.921 8.849 1.00 0.00 C ATOM 122 C LEU A 11 -5.677 8.590 9.284 1.00 0.00 C ATOM 123 O LEU A 11 -6.162 7.524 8.906 1.00 0.00 O ATOM 124 CB LEU A 11 -5.251 10.727 8.057 1.00 0.00 C ATOM 125 CG LEU A 11 -4.287 9.917 7.189 1.00 0.00 C ATOM 126 CD1 LEU A 11 -5.056 9.062 6.194 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.317 10.839 6.466 1.00 0.00 C ATOM 0 H LEU A 11 -6.007 10.936 10.664 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.142 9.717 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.784 11.429 7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.665 11.320 8.760 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.712 9.256 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.354 8.493 5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.709 8.375 6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.657 9.704 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.639 10.245 5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.874 11.526 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.742 11.407 7.197 1.00 0.00 H new ATOM 139 N TRP A 12 -4.618 8.660 10.083 1.00 0.00 N ATOM 140 CA TRP A 12 -3.948 7.460 10.572 1.00 0.00 C ATOM 141 C TRP A 12 -4.957 6.353 10.859 1.00 0.00 C ATOM 142 O TRP A 12 -4.676 5.174 10.646 1.00 0.00 O ATOM 143 CB TRP A 12 -3.146 7.777 11.835 1.00 0.00 C ATOM 144 CG TRP A 12 -3.983 7.808 13.078 1.00 0.00 C ATOM 145 CD1 TRP A 12 -4.940 8.728 13.399 1.00 0.00 C ATOM 146 CD2 TRP A 12 -3.936 6.879 14.166 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.491 8.427 14.621 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.893 7.296 15.112 1.00 0.00 C ATOM 149 CE3 TRP A 12 -3.181 5.734 14.432 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.111 6.609 16.303 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.398 5.053 15.615 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.357 5.491 16.538 1.00 0.00 C ATOM 0 H TRP A 12 -4.205 9.535 10.406 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.266 7.112 9.796 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.359 7.032 11.954 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.655 8.742 11.712 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.222 9.569 12.783 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.226 8.959 15.087 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.441 5.387 13.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.849 6.946 17.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.818 4.168 15.832 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.504 4.936 17.453 1.00 0.00 H new ATOM 163 N ASP A 13 -6.132 6.741 11.344 1.00 0.00 N ATOM 164 CA ASP A 13 -7.183 5.780 11.659 1.00 0.00 C ATOM 165 C ASP A 13 -7.814 5.227 10.386 1.00 0.00 C ATOM 166 O ASP A 13 -8.044 4.023 10.267 1.00 0.00 O ATOM 167 CB ASP A 13 -8.255 6.434 12.532 1.00 0.00 C ATOM 168 CG ASP A 13 -9.252 5.429 13.076 1.00 0.00 C ATOM 169 OD1 ASP A 13 -8.823 4.484 13.770 1.00 0.00 O ATOM 170 OD2 ASP A 13 -10.461 5.589 12.807 1.00 0.00 O ATOM 0 H ASP A 13 -6.380 7.713 11.527 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.732 4.953 12.208 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.776 6.952 13.363 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.785 7.187 11.949 1.00 0.00 H new ATOM 175 N TYR A 14 -8.092 6.113 9.436 1.00 0.00 N ATOM 176 CA TYR A 14 -8.700 5.715 8.172 1.00 0.00 C ATOM 177 C TYR A 14 -8.089 4.414 7.660 1.00 0.00 C ATOM 178 O TYR A 14 -8.715 3.678 6.898 1.00 0.00 O ATOM 179 CB TYR A 14 -8.526 6.819 7.128 1.00 0.00 C ATOM 180 CG TYR A 14 -8.697 6.338 5.705 1.00 0.00 C ATOM 181 CD1 TYR A 14 -9.959 6.065 5.189 1.00 0.00 C ATOM 182 CD2 TYR A 14 -7.598 6.155 4.875 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.120 5.625 3.890 1.00 0.00 C ATOM 184 CE2 TYR A 14 -7.749 5.717 3.574 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.012 5.453 3.086 1.00 0.00 C ATOM 186 OH TYR A 14 -9.167 5.015 1.791 1.00 0.00 O ATOM 0 H TYR A 14 -7.906 7.113 9.518 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.764 5.553 8.345 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.249 7.611 7.325 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.535 7.258 7.238 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.829 6.199 5.815 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.608 6.359 5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.108 5.417 3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.883 5.582 2.942 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.074 4.663 1.671 1.00 0.00 H new ATOM 196 N VAL A 15 -6.860 4.137 8.087 1.00 0.00 N ATOM 197 CA VAL A 15 -6.163 2.925 7.674 1.00 0.00 C ATOM 198 C VAL A 15 -6.944 1.678 8.075 1.00 0.00 C ATOM 199 O VAL A 15 -7.520 0.995 7.228 1.00 0.00 O ATOM 200 CB VAL A 15 -4.752 2.853 8.287 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.003 1.637 7.763 1.00 0.00 C ATOM 202 CG2 VAL A 15 -3.979 4.131 7.997 1.00 0.00 C ATOM 0 H VAL A 15 -6.328 4.736 8.718 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.078 2.963 6.588 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.850 2.752 9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.008 1.603 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.549 0.732 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.914 1.704 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.984 4.063 8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.890 4.266 6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.508 4.982 8.426 1.00 0.00 H new ATOM 212 N TYR A 16 -6.958 1.388 9.371 1.00 0.00 N ATOM 213 CA TYR A 16 -7.667 0.221 9.884 1.00 0.00 C ATOM 214 C TYR A 16 -8.970 -0.002 9.124 1.00 0.00 C ATOM 215 O TYR A 16 -9.173 -1.052 8.514 1.00 0.00 O ATOM 216 CB TYR A 16 -7.956 0.391 11.377 1.00 0.00 C ATOM 217 CG TYR A 16 -7.994 -0.915 12.138 1.00 0.00 C ATOM 218 CD1 TYR A 16 -6.836 -1.653 12.348 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.188 -1.410 12.648 1.00 0.00 C ATOM 220 CE1 TYR A 16 -6.866 -2.847 13.043 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.227 -2.602 13.345 1.00 0.00 C ATOM 222 CZ TYR A 16 -8.064 -3.317 13.539 1.00 0.00 C ATOM 223 OH TYR A 16 -8.099 -4.505 14.232 1.00 0.00 O ATOM 0 H TYR A 16 -6.487 1.944 10.085 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.031 -0.652 9.741 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.194 1.035 11.815 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.912 0.900 11.498 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.896 -1.287 11.961 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.101 -0.853 12.497 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.957 -3.409 13.197 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.163 -2.972 13.736 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.019 -4.692 14.514 1.00 0.00 H new ATOM 233 N GLN A 17 -9.851 0.992 9.167 1.00 0.00 N ATOM 234 CA GLN A 17 -11.135 0.905 8.482 1.00 0.00 C ATOM 235 C GLN A 17 -11.003 0.134 7.173 1.00 0.00 C ATOM 236 O GLN A 17 -11.868 -0.670 6.823 1.00 0.00 O ATOM 237 CB GLN A 17 -11.689 2.305 8.210 1.00 0.00 C ATOM 238 CG GLN A 17 -11.876 3.139 9.467 1.00 0.00 C ATOM 239 CD GLN A 17 -12.818 2.491 10.463 1.00 0.00 C ATOM 240 OE1 GLN A 17 -13.759 1.794 10.082 1.00 0.00 O ATOM 241 NE2 GLN A 17 -12.568 2.717 11.747 1.00 0.00 N ATOM 0 H GLN A 17 -9.699 1.867 9.669 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.828 0.368 9.130 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.014 2.829 7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.647 2.215 7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.907 3.299 9.940 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.262 4.121 9.193 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.777 3.301 12.017 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.167 2.306 12.463 1.00 0.00 H new ATOM 250 N LEU A 18 -9.916 0.385 6.452 1.00 0.00 N ATOM 251 CA LEU A 18 -9.670 -0.285 5.180 1.00 0.00 C ATOM 252 C LEU A 18 -9.296 -1.748 5.398 1.00 0.00 C ATOM 253 O LEU A 18 -10.012 -2.653 4.969 1.00 0.00 O ATOM 254 CB LEU A 18 -8.556 0.429 4.412 1.00 0.00 C ATOM 255 CG LEU A 18 -8.899 1.815 3.866 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.754 2.355 3.022 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.185 1.766 3.054 1.00 0.00 C ATOM 0 H LEU A 18 -9.191 1.048 6.727 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.589 -0.247 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.692 0.523 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.254 -0.204 3.577 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.051 2.489 4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.016 3.342 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.855 2.429 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.570 1.681 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.413 2.762 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.061 1.078 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.003 1.424 3.688 1.00 0.00 H new ATOM 269 N LEU A 19 -8.172 -1.972 6.069 1.00 0.00 N ATOM 270 CA LEU A 19 -7.704 -3.325 6.347 1.00 0.00 C ATOM 271 C LEU A 19 -8.875 -4.257 6.641 1.00 0.00 C ATOM 272 O LEU A 19 -9.044 -5.284 5.984 1.00 0.00 O ATOM 273 CB LEU A 19 -6.734 -3.317 7.530 1.00 0.00 C ATOM 274 CG LEU A 19 -5.265 -3.058 7.192 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.851 -3.855 5.964 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.022 -1.572 6.973 1.00 0.00 C ATOM 0 H LEU A 19 -7.568 -1.234 6.431 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.185 -3.693 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.063 -2.556 8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.805 -4.278 8.039 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.655 -3.385 8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.803 -3.658 5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.987 -4.919 6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.466 -3.560 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.972 -1.407 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.642 -1.220 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.278 -1.024 7.880 1.00 0.00 H new ATOM 288 N SER A 20 -9.682 -3.890 7.632 1.00 0.00 N ATOM 289 CA SER A 20 -10.837 -4.694 8.014 1.00 0.00 C ATOM 290 C SER A 20 -11.592 -5.181 6.781 1.00 0.00 C ATOM 291 O SER A 20 -11.871 -6.372 6.640 1.00 0.00 O ATOM 292 CB SER A 20 -11.773 -3.884 8.913 1.00 0.00 C ATOM 293 OG SER A 20 -11.230 -3.736 10.213 1.00 0.00 O ATOM 0 H SER A 20 -9.557 -3.042 8.184 1.00 0.00 H new ATOM 0 HA SER A 20 -10.478 -5.563 8.565 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.945 -2.902 8.473 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.742 -4.379 8.975 1.00 0.00 H new ATOM 0 HG SER A 20 -11.846 -3.213 10.767 1.00 0.00 H new ATOM 299 N ASP A 21 -11.920 -4.251 5.891 1.00 0.00 N ATOM 300 CA ASP A 21 -12.642 -4.584 4.669 1.00 0.00 C ATOM 301 C ASP A 21 -11.704 -5.195 3.632 1.00 0.00 C ATOM 302 O ASP A 21 -10.991 -4.480 2.929 1.00 0.00 O ATOM 303 CB ASP A 21 -13.315 -3.337 4.093 1.00 0.00 C ATOM 304 CG ASP A 21 -14.579 -3.664 3.323 1.00 0.00 C ATOM 305 OD1 ASP A 21 -14.649 -4.765 2.737 1.00 0.00 O ATOM 306 OD2 ASP A 21 -15.499 -2.820 3.306 1.00 0.00 O ATOM 0 H ASP A 21 -11.697 -3.261 5.993 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.407 -5.319 4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.555 -2.650 4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.615 -2.821 3.435 1.00 0.00 H new ATOM 311 N SER A 22 -11.710 -6.521 3.545 1.00 0.00 N ATOM 312 CA SER A 22 -10.856 -7.229 2.599 1.00 0.00 C ATOM 313 C SER A 22 -10.991 -6.638 1.199 1.00 0.00 C ATOM 314 O SER A 22 -10.003 -6.486 0.479 1.00 0.00 O ATOM 315 CB SER A 22 -11.211 -8.717 2.573 1.00 0.00 C ATOM 316 OG SER A 22 -12.432 -8.938 1.888 1.00 0.00 O ATOM 0 H SER A 22 -12.297 -7.127 4.118 1.00 0.00 H new ATOM 0 HA SER A 22 -9.822 -7.115 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.411 -9.276 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.289 -9.093 3.593 1.00 0.00 H new ATOM 0 HG SER A 22 -12.636 -9.897 1.884 1.00 0.00 H new ATOM 322 N ARG A 23 -12.221 -6.306 0.819 1.00 0.00 N ATOM 323 CA ARG A 23 -12.486 -5.733 -0.495 1.00 0.00 C ATOM 324 C ARG A 23 -11.428 -4.697 -0.860 1.00 0.00 C ATOM 325 O ARG A 23 -11.142 -4.474 -2.037 1.00 0.00 O ATOM 326 CB ARG A 23 -13.875 -5.092 -0.524 1.00 0.00 C ATOM 327 CG ARG A 23 -15.006 -6.079 -0.287 1.00 0.00 C ATOM 328 CD ARG A 23 -16.366 -5.408 -0.408 1.00 0.00 C ATOM 329 NE ARG A 23 -17.441 -6.378 -0.593 1.00 0.00 N ATOM 330 CZ ARG A 23 -17.929 -7.130 0.387 1.00 0.00 C ATOM 331 NH1 ARG A 23 -17.440 -7.023 1.615 1.00 0.00 N ATOM 332 NH2 ARG A 23 -18.908 -7.991 0.140 1.00 0.00 N ATOM 0 H ARG A 23 -13.049 -6.424 1.403 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.449 -6.538 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.921 -4.311 0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.023 -4.608 -1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.936 -6.894 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.904 -6.520 0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.560 -4.818 0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.355 -4.715 -1.249 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.839 -6.484 -1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.688 -6.362 1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.816 -7.602 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.287 -8.076 -0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.282 -8.568 0.893 1.00 0.00 H new ATOM 346 N TYR A 24 -10.850 -4.066 0.156 1.00 0.00 N ATOM 347 CA TYR A 24 -9.826 -3.050 -0.057 1.00 0.00 C ATOM 348 C TYR A 24 -8.430 -3.633 0.146 1.00 0.00 C ATOM 349 O TYR A 24 -7.526 -2.951 0.626 1.00 0.00 O ATOM 350 CB TYR A 24 -10.041 -1.871 0.892 1.00 0.00 C ATOM 351 CG TYR A 24 -11.366 -1.168 0.694 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.566 -1.824 0.942 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.417 0.150 0.259 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.778 -1.187 0.762 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.625 0.795 0.077 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.803 0.123 0.330 1.00 0.00 C ATOM 357 OH TYR A 24 -15.008 0.762 0.149 1.00 0.00 O ATOM 0 H TYR A 24 -11.073 -4.240 1.136 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.908 -2.699 -1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.978 -2.227 1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.233 -1.152 0.754 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.550 -2.849 1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.497 0.679 0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.701 -1.712 0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.647 1.820 -0.262 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.849 1.679 -0.157 1.00 0.00 H new ATOM 367 N GLU A 25 -8.265 -4.899 -0.224 1.00 0.00 N ATOM 368 CA GLU A 25 -6.981 -5.574 -0.082 1.00 0.00 C ATOM 369 C GLU A 25 -6.008 -5.127 -1.169 1.00 0.00 C ATOM 370 O GLU A 25 -4.880 -4.729 -0.882 1.00 0.00 O ATOM 371 CB GLU A 25 -7.167 -7.092 -0.143 1.00 0.00 C ATOM 372 CG GLU A 25 -7.421 -7.728 1.214 1.00 0.00 C ATOM 373 CD GLU A 25 -7.733 -9.209 1.114 1.00 0.00 C ATOM 374 OE1 GLU A 25 -8.802 -9.554 0.569 1.00 0.00 O ATOM 375 OE2 GLU A 25 -6.909 -10.022 1.581 1.00 0.00 O ATOM 0 H GLU A 25 -9.004 -5.477 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.564 -5.305 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.002 -7.321 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.278 -7.541 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.545 -7.587 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.252 -7.217 1.701 1.00 0.00 H new ATOM 382 N ASN A 26 -6.454 -5.196 -2.419 1.00 0.00 N ATOM 383 CA ASN A 26 -5.623 -4.800 -3.550 1.00 0.00 C ATOM 384 C ASN A 26 -5.012 -3.421 -3.320 1.00 0.00 C ATOM 385 O ASN A 26 -3.899 -3.141 -3.765 1.00 0.00 O ATOM 386 CB ASN A 26 -6.448 -4.795 -4.839 1.00 0.00 C ATOM 387 CG ASN A 26 -7.177 -6.106 -5.063 1.00 0.00 C ATOM 388 OD1 ASN A 26 -6.560 -7.130 -5.357 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.498 -6.079 -4.925 1.00 0.00 N ATOM 0 H ASN A 26 -7.386 -5.522 -2.674 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.815 -5.525 -3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.172 -3.981 -4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.792 -4.598 -5.687 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.043 -6.930 -5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.967 -5.207 -4.680 1.00 0.00 H new ATOM 396 N PHE A 27 -5.748 -2.563 -2.620 1.00 0.00 N ATOM 397 CA PHE A 27 -5.280 -1.213 -2.330 1.00 0.00 C ATOM 398 C PHE A 27 -4.339 -1.210 -1.128 1.00 0.00 C ATOM 399 O PHE A 27 -3.315 -0.526 -1.130 1.00 0.00 O ATOM 400 CB PHE A 27 -6.466 -0.285 -2.066 1.00 0.00 C ATOM 401 CG PHE A 27 -7.295 -0.007 -3.287 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.827 0.838 -4.280 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.541 -0.592 -3.443 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.587 1.095 -5.406 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.305 -0.339 -4.567 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.828 0.506 -5.549 1.00 0.00 C ATOM 0 H PHE A 27 -6.671 -2.779 -2.243 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.731 -0.851 -3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.101 -0.729 -1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.096 0.659 -1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.857 1.301 -4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.920 -1.253 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.211 1.756 -6.173 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.274 -0.802 -4.677 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.424 0.706 -6.427 1.00 0.00 H new ATOM 416 N ILE A 28 -4.695 -1.979 -0.104 1.00 0.00 N ATOM 417 CA ILE A 28 -3.884 -2.065 1.103 1.00 0.00 C ATOM 418 C ILE A 28 -4.219 -3.320 1.902 1.00 0.00 C ATOM 419 O ILE A 28 -5.363 -3.520 2.312 1.00 0.00 O ATOM 420 CB ILE A 28 -4.079 -0.830 2.002 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.225 -0.953 3.266 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.547 -0.664 2.363 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.172 0.318 4.085 1.00 0.00 C ATOM 0 H ILE A 28 -5.539 -2.551 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.843 -2.109 0.781 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.758 0.055 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.620 -1.758 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.211 -1.236 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.668 0.213 2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.133 -0.537 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.893 -1.549 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.550 0.158 4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.749 1.122 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.180 0.591 4.398 1.00 0.00 H new ATOM 435 N ARG A 29 -3.214 -4.162 2.121 1.00 0.00 N ATOM 436 CA ARG A 29 -3.402 -5.397 2.872 1.00 0.00 C ATOM 437 C ARG A 29 -2.500 -5.428 4.103 1.00 0.00 C ATOM 438 O ARG A 29 -1.564 -4.638 4.218 1.00 0.00 O ATOM 439 CB ARG A 29 -3.113 -6.608 1.984 1.00 0.00 C ATOM 440 CG ARG A 29 -1.712 -6.609 1.393 1.00 0.00 C ATOM 441 CD ARG A 29 -1.662 -7.373 0.079 1.00 0.00 C ATOM 442 NE ARG A 29 -0.349 -7.963 -0.162 1.00 0.00 N ATOM 443 CZ ARG A 29 0.047 -9.116 0.367 1.00 0.00 C ATOM 444 NH1 ARG A 29 -0.766 -9.799 1.161 1.00 0.00 N ATOM 445 NH2 ARG A 29 1.258 -9.589 0.101 1.00 0.00 N ATOM 0 H ARG A 29 -2.261 -4.011 1.789 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.440 -5.437 3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.253 -7.518 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.841 -6.635 1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.384 -5.582 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.017 -7.058 2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.416 -8.160 0.088 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.913 -6.700 -0.741 1.00 0.00 H new ATOM 0 HE ARG A 29 0.300 -7.463 -0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.698 -9.440 1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.459 -10.684 1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.886 -9.067 -0.510 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.561 -10.474 0.508 1.00 0.00 H new ATOM 459 N TRP A 30 -2.790 -6.345 5.019 1.00 0.00 N ATOM 460 CA TRP A 30 -2.006 -6.478 6.241 1.00 0.00 C ATOM 461 C TRP A 30 -0.622 -7.044 5.941 1.00 0.00 C ATOM 462 O TRP A 30 -0.494 -8.163 5.445 1.00 0.00 O ATOM 463 CB TRP A 30 -2.732 -7.379 7.242 1.00 0.00 C ATOM 464 CG TRP A 30 -3.683 -6.634 8.130 1.00 0.00 C ATOM 465 CD1 TRP A 30 -5.021 -6.866 8.275 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.368 -5.536 8.993 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.557 -5.978 9.176 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.563 -5.152 9.632 1.00 0.00 C ATOM 469 CE3 TRP A 30 -2.192 -4.841 9.289 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.614 -4.104 10.547 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -2.245 -3.801 10.198 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.449 -3.441 10.819 1.00 0.00 C ATOM 0 H TRP A 30 -3.562 -7.007 4.939 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.886 -5.486 6.676 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.281 -8.147 6.697 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.995 -7.892 7.860 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.576 -7.634 7.758 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.536 -5.940 9.460 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.259 -5.111 8.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.541 -3.824 11.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.343 -3.256 10.434 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.457 -2.624 11.526 1.00 0.00 H new ATOM 483 N GLU A 31 0.411 -6.264 6.245 1.00 0.00 N ATOM 484 CA GLU A 31 1.785 -6.689 6.006 1.00 0.00 C ATOM 485 C GLU A 31 2.208 -7.754 7.014 1.00 0.00 C ATOM 486 O GLU A 31 2.526 -8.884 6.643 1.00 0.00 O ATOM 487 CB GLU A 31 2.734 -5.491 6.084 1.00 0.00 C ATOM 488 CG GLU A 31 3.877 -5.554 5.085 1.00 0.00 C ATOM 489 CD GLU A 31 4.914 -6.598 5.452 1.00 0.00 C ATOM 490 OE1 GLU A 31 5.604 -6.416 6.477 1.00 0.00 O ATOM 491 OE2 GLU A 31 5.036 -7.598 4.713 1.00 0.00 O ATOM 0 H GLU A 31 0.322 -5.335 6.657 1.00 0.00 H new ATOM 0 HA GLU A 31 1.837 -7.119 5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.166 -4.576 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.146 -5.429 7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.478 -5.776 4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.356 -4.577 5.024 1.00 0.00 H new ATOM 498 N ASP A 32 2.210 -7.384 8.290 1.00 0.00 N ATOM 499 CA ASP A 32 2.593 -8.306 9.352 1.00 0.00 C ATOM 500 C ASP A 32 1.616 -8.226 10.521 1.00 0.00 C ATOM 501 O ASP A 32 1.848 -7.502 11.490 1.00 0.00 O ATOM 502 CB ASP A 32 4.012 -7.999 9.836 1.00 0.00 C ATOM 503 CG ASP A 32 5.067 -8.392 8.821 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.807 -9.316 8.023 1.00 0.00 O ATOM 505 OD2 ASP A 32 6.153 -7.775 8.825 1.00 0.00 O ATOM 0 H ASP A 32 1.951 -6.452 8.614 1.00 0.00 H new ATOM 0 HA ASP A 32 2.566 -9.318 8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.097 -6.934 10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.196 -8.528 10.771 1.00 0.00 H new ATOM 510 N LYS A 33 0.521 -8.972 10.422 1.00 0.00 N ATOM 511 CA LYS A 33 -0.493 -8.987 11.470 1.00 0.00 C ATOM 512 C LYS A 33 0.152 -9.079 12.850 1.00 0.00 C ATOM 513 O LYS A 33 -0.458 -8.714 13.854 1.00 0.00 O ATOM 514 CB LYS A 33 -1.452 -10.161 11.264 1.00 0.00 C ATOM 515 CG LYS A 33 -2.657 -9.819 10.405 1.00 0.00 C ATOM 516 CD LYS A 33 -3.818 -9.317 11.248 1.00 0.00 C ATOM 517 CE LYS A 33 -5.135 -9.409 10.493 1.00 0.00 C ATOM 518 NZ LYS A 33 -6.286 -9.634 11.411 1.00 0.00 N ATOM 0 H LYS A 33 0.313 -9.575 9.626 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.054 -8.054 11.412 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.909 -10.986 10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.797 -10.512 12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.381 -9.058 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.968 -10.701 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.882 -9.901 12.166 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.636 -8.283 11.540 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.295 -8.490 9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.083 -10.223 9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.165 -9.691 10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.146 -10.523 11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.352 -8.845 12.085 1.00 0.00 H new ATOM 532 N GLU A 34 1.387 -9.568 12.889 1.00 0.00 N ATOM 533 CA GLU A 34 2.113 -9.707 14.146 1.00 0.00 C ATOM 534 C GLU A 34 2.337 -8.346 14.799 1.00 0.00 C ATOM 535 O GLU A 34 2.181 -8.193 16.010 1.00 0.00 O ATOM 536 CB GLU A 34 3.458 -10.399 13.911 1.00 0.00 C ATOM 537 CG GLU A 34 3.328 -11.847 13.468 1.00 0.00 C ATOM 538 CD GLU A 34 4.649 -12.590 13.510 1.00 0.00 C ATOM 539 OE1 GLU A 34 5.441 -12.444 12.555 1.00 0.00 O ATOM 540 OE2 GLU A 34 4.891 -13.316 14.496 1.00 0.00 O ATOM 0 H GLU A 34 1.905 -9.874 12.066 1.00 0.00 H new ATOM 0 HA GLU A 34 1.510 -10.318 14.817 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.015 -9.845 13.155 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.043 -10.360 14.830 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.608 -12.356 14.109 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.930 -11.879 12.454 1.00 0.00 H new ATOM 547 N SER A 35 2.703 -7.360 13.986 1.00 0.00 N ATOM 548 CA SER A 35 2.952 -6.012 14.484 1.00 0.00 C ATOM 549 C SER A 35 2.079 -4.994 13.757 1.00 0.00 C ATOM 550 O SER A 35 2.521 -3.888 13.446 1.00 0.00 O ATOM 551 CB SER A 35 4.428 -5.648 14.315 1.00 0.00 C ATOM 552 OG SER A 35 4.866 -4.794 15.358 1.00 0.00 O ATOM 0 H SER A 35 2.834 -7.469 12.980 1.00 0.00 H new ATOM 0 HA SER A 35 2.699 -5.990 15.544 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.031 -6.556 14.307 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.577 -5.158 13.353 1.00 0.00 H new ATOM 0 HG SER A 35 5.813 -4.577 15.228 1.00 0.00 H new ATOM 558 N LYS A 36 0.835 -5.376 13.489 1.00 0.00 N ATOM 559 CA LYS A 36 -0.104 -4.498 12.799 1.00 0.00 C ATOM 560 C LYS A 36 0.604 -3.686 11.719 1.00 0.00 C ATOM 561 O LYS A 36 0.361 -2.488 11.571 1.00 0.00 O ATOM 562 CB LYS A 36 -0.782 -3.557 13.797 1.00 0.00 C ATOM 563 CG LYS A 36 -1.837 -4.236 14.653 1.00 0.00 C ATOM 564 CD LYS A 36 -1.417 -5.643 15.044 1.00 0.00 C ATOM 565 CE LYS A 36 -2.441 -6.295 15.961 1.00 0.00 C ATOM 566 NZ LYS A 36 -2.502 -5.625 17.289 1.00 0.00 N ATOM 0 H LYS A 36 0.453 -6.288 13.739 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.862 -5.120 12.323 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.023 -3.123 14.447 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.243 -2.734 13.252 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.013 -3.645 15.552 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.780 -4.275 14.107 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.292 -6.249 14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.449 -5.609 15.543 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.424 -6.260 15.491 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.190 -7.347 16.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.052 -6.211 17.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.538 -5.499 17.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.958 -4.696 17.188 1.00 0.00 H new ATOM 580 N ILE A 37 1.479 -4.346 10.967 1.00 0.00 N ATOM 581 CA ILE A 37 2.219 -3.685 9.899 1.00 0.00 C ATOM 582 C ILE A 37 1.461 -3.759 8.578 1.00 0.00 C ATOM 583 O ILE A 37 1.116 -4.843 8.108 1.00 0.00 O ATOM 584 CB ILE A 37 3.615 -4.308 9.713 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.266 -4.569 11.073 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.492 -3.398 8.866 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.659 -5.150 10.974 1.00 0.00 C ATOM 0 H ILE A 37 1.693 -5.337 11.078 1.00 0.00 H new ATOM 0 HA ILE A 37 2.332 -2.641 10.192 1.00 0.00 H new ATOM 0 HB ILE A 37 3.506 -5.261 9.195 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.310 -3.634 11.631 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.636 -5.252 11.643 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.475 -3.852 8.743 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.033 -3.258 7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.597 -2.432 9.359 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.059 -5.309 11.975 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.620 -6.101 10.444 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.304 -4.459 10.431 1.00 0.00 H new ATOM 599 N PHE A 38 1.207 -2.598 7.982 1.00 0.00 N ATOM 600 CA PHE A 38 0.491 -2.531 6.714 1.00 0.00 C ATOM 601 C PHE A 38 1.379 -1.948 5.618 1.00 0.00 C ATOM 602 O PHE A 38 2.400 -1.321 5.900 1.00 0.00 O ATOM 603 CB PHE A 38 -0.776 -1.686 6.863 1.00 0.00 C ATOM 604 CG PHE A 38 -0.563 -0.419 7.641 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.321 -0.461 9.005 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.604 0.813 7.009 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.125 0.703 9.724 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.409 1.981 7.723 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.168 1.926 9.082 1.00 0.00 C ATOM 0 H PHE A 38 1.486 -1.692 8.357 1.00 0.00 H new ATOM 0 HA PHE A 38 0.211 -3.545 6.429 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.155 -1.435 5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.544 -2.281 7.357 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.285 -1.414 9.512 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.790 0.862 5.946 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.062 0.657 10.787 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.445 2.935 7.219 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.014 2.837 9.642 1.00 0.00 H new ATOM 619 N ARG A 39 0.982 -2.160 4.368 1.00 0.00 N ATOM 620 CA ARG A 39 1.742 -1.657 3.229 1.00 0.00 C ATOM 621 C ARG A 39 0.809 -1.216 2.105 1.00 0.00 C ATOM 622 O ARG A 39 0.167 -2.043 1.458 1.00 0.00 O ATOM 623 CB ARG A 39 2.703 -2.731 2.716 1.00 0.00 C ATOM 624 CG ARG A 39 3.358 -2.379 1.391 1.00 0.00 C ATOM 625 CD ARG A 39 4.061 -3.581 0.780 1.00 0.00 C ATOM 626 NE ARG A 39 5.120 -3.185 -0.144 1.00 0.00 N ATOM 627 CZ ARG A 39 4.908 -2.891 -1.422 1.00 0.00 C ATOM 628 NH1 ARG A 39 3.682 -2.947 -1.924 1.00 0.00 N ATOM 629 NH2 ARG A 39 5.923 -2.539 -2.200 1.00 0.00 N ATOM 0 H ARG A 39 0.139 -2.676 4.118 1.00 0.00 H new ATOM 0 HA ARG A 39 2.317 -0.793 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.480 -2.898 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.160 -3.670 2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.603 -2.007 0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.077 -1.574 1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.484 -4.196 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.333 -4.198 0.254 1.00 0.00 H new ATOM 0 HE ARG A 39 6.075 -3.131 0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.899 -3.216 -1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.522 -2.721 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.867 -2.494 -1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.759 -2.313 -3.181 1.00 0.00 H new ATOM 643 N ILE A 40 0.739 0.092 1.881 1.00 0.00 N ATOM 644 CA ILE A 40 -0.114 0.643 0.835 1.00 0.00 C ATOM 645 C ILE A 40 0.235 0.054 -0.527 1.00 0.00 C ATOM 646 O ILE A 40 1.107 0.564 -1.231 1.00 0.00 O ATOM 647 CB ILE A 40 0.002 2.177 0.764 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.744 2.822 1.933 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.538 2.688 -0.564 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.580 4.324 1.999 1.00 0.00 C ATOM 0 H ILE A 40 1.263 0.790 2.410 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.139 0.376 1.091 1.00 0.00 H new ATOM 0 HB ILE A 40 1.055 2.451 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.805 2.584 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.389 2.384 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.449 3.774 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.034 2.250 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.586 2.406 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.136 4.714 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.476 4.570 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.962 4.772 1.082 1.00 0.00 H new ATOM 662 N VAL A 41 -0.452 -1.024 -0.893 1.00 0.00 N ATOM 663 CA VAL A 41 -0.217 -1.682 -2.173 1.00 0.00 C ATOM 664 C VAL A 41 -0.187 -0.671 -3.314 1.00 0.00 C ATOM 665 O VAL A 41 0.636 -0.770 -4.224 1.00 0.00 O ATOM 666 CB VAL A 41 -1.297 -2.740 -2.467 1.00 0.00 C ATOM 667 CG1 VAL A 41 -1.011 -3.443 -3.785 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.384 -3.743 -1.326 1.00 0.00 C ATOM 0 H VAL A 41 -1.176 -1.460 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 41 0.753 -2.174 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.260 -2.237 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.784 -4.187 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.003 -2.712 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.040 -3.935 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.152 -4.483 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.422 -4.242 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.640 -3.223 -0.403 1.00 0.00 H new ATOM 678 N ASP A 42 -1.091 0.302 -3.258 1.00 0.00 N ATOM 679 CA ASP A 42 -1.168 1.333 -4.286 1.00 0.00 C ATOM 680 C ASP A 42 -1.596 2.669 -3.685 1.00 0.00 C ATOM 681 O ASP A 42 -2.755 2.872 -3.324 1.00 0.00 O ATOM 682 CB ASP A 42 -2.148 0.917 -5.384 1.00 0.00 C ATOM 683 CG ASP A 42 -1.802 1.524 -6.729 1.00 0.00 C ATOM 684 OD1 ASP A 42 -0.867 1.018 -7.385 1.00 0.00 O ATOM 685 OD2 ASP A 42 -2.467 2.503 -7.127 1.00 0.00 O ATOM 0 H ASP A 42 -1.780 0.398 -2.512 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.176 1.452 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.153 -0.170 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.156 1.219 -5.101 1.00 0.00 H new ATOM 690 N PRO A 43 -0.638 3.601 -3.572 1.00 0.00 N ATOM 691 CA PRO A 43 -0.892 4.933 -3.014 1.00 0.00 C ATOM 692 C PRO A 43 -1.756 5.791 -3.932 1.00 0.00 C ATOM 693 O PRO A 43 -2.544 6.614 -3.467 1.00 0.00 O ATOM 694 CB PRO A 43 0.509 5.535 -2.882 1.00 0.00 C ATOM 695 CG PRO A 43 1.326 4.821 -3.903 1.00 0.00 C ATOM 696 CD PRO A 43 0.766 3.427 -3.981 1.00 0.00 C ATOM 0 HA PRO A 43 -1.440 4.883 -2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.497 6.609 -3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.911 5.387 -1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.266 5.320 -4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.378 4.804 -3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.844 3.018 -4.989 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.296 2.743 -3.318 1.00 0.00 H new ATOM 704 N ASN A 44 -1.604 5.592 -5.237 1.00 0.00 N ATOM 705 CA ASN A 44 -2.371 6.348 -6.220 1.00 0.00 C ATOM 706 C ASN A 44 -3.858 6.027 -6.113 1.00 0.00 C ATOM 707 O ASN A 44 -4.706 6.907 -6.256 1.00 0.00 O ATOM 708 CB ASN A 44 -1.872 6.041 -7.633 1.00 0.00 C ATOM 709 CG ASN A 44 -2.364 7.050 -8.653 1.00 0.00 C ATOM 710 OD1 ASN A 44 -1.716 8.068 -8.898 1.00 0.00 O ATOM 711 ND2 ASN A 44 -3.516 6.772 -9.252 1.00 0.00 N ATOM 0 H ASN A 44 -0.957 4.914 -5.638 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.231 7.409 -6.015 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.782 6.028 -7.635 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.203 5.044 -7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.898 7.414 -9.946 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.019 5.916 -9.018 1.00 0.00 H new ATOM 718 N GLY A 45 -4.168 4.759 -5.860 1.00 0.00 N ATOM 719 CA GLY A 45 -5.553 4.344 -5.737 1.00 0.00 C ATOM 720 C GLY A 45 -6.077 4.483 -4.321 1.00 0.00 C ATOM 721 O GLY A 45 -7.285 4.591 -4.106 1.00 0.00 O ATOM 0 H GLY A 45 -3.484 4.012 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.169 4.941 -6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.648 3.306 -6.056 1.00 0.00 H new ATOM 725 N LEU A 46 -5.168 4.478 -3.353 1.00 0.00 N ATOM 726 CA LEU A 46 -5.545 4.603 -1.949 1.00 0.00 C ATOM 727 C LEU A 46 -5.788 6.062 -1.578 1.00 0.00 C ATOM 728 O LEU A 46 -6.779 6.390 -0.927 1.00 0.00 O ATOM 729 CB LEU A 46 -4.455 4.012 -1.053 1.00 0.00 C ATOM 730 CG LEU A 46 -4.825 3.822 0.418 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.278 5.139 1.029 1.00 0.00 C ATOM 732 CD2 LEU A 46 -5.909 2.764 0.563 1.00 0.00 C ATOM 0 H LEU A 46 -4.165 4.389 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.472 4.050 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.162 3.045 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.579 4.659 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.939 3.482 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.537 4.984 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.472 5.869 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.150 5.509 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.160 2.642 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.797 3.075 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.548 1.816 0.164 1.00 0.00 H new ATOM 744 N ALA A 47 -4.878 6.934 -2.000 1.00 0.00 N ATOM 745 CA ALA A 47 -4.996 8.359 -1.715 1.00 0.00 C ATOM 746 C ALA A 47 -6.382 8.879 -2.082 1.00 0.00 C ATOM 747 O ALA A 47 -7.083 9.446 -1.244 1.00 0.00 O ATOM 748 CB ALA A 47 -3.923 9.136 -2.464 1.00 0.00 C ATOM 0 H ALA A 47 -4.051 6.679 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.854 8.504 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.022 10.199 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.938 8.790 -2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.039 8.976 -3.536 1.00 0.00 H new ATOM 754 N ARG A 48 -6.769 8.682 -3.338 1.00 0.00 N ATOM 755 CA ARG A 48 -8.071 9.134 -3.815 1.00 0.00 C ATOM 756 C ARG A 48 -9.169 8.776 -2.818 1.00 0.00 C ATOM 757 O ARG A 48 -9.933 9.640 -2.382 1.00 0.00 O ATOM 758 CB ARG A 48 -8.382 8.511 -5.177 1.00 0.00 C ATOM 759 CG ARG A 48 -8.183 7.005 -5.219 1.00 0.00 C ATOM 760 CD ARG A 48 -8.184 6.482 -6.647 1.00 0.00 C ATOM 761 NE ARG A 48 -8.641 5.097 -6.722 1.00 0.00 N ATOM 762 CZ ARG A 48 -9.921 4.749 -6.790 1.00 0.00 C ATOM 763 NH1 ARG A 48 -10.866 5.680 -6.792 1.00 0.00 N ATOM 764 NH2 ARG A 48 -10.259 3.468 -6.856 1.00 0.00 N ATOM 0 H ARG A 48 -6.200 8.213 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.037 10.219 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.414 8.740 -5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -7.747 8.974 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.240 6.748 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.975 6.516 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.828 7.110 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.178 6.555 -7.060 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.939 4.357 -6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.610 6.666 -6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.848 5.410 -6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.536 2.749 -6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.242 3.202 -6.908 1.00 0.00 H new ATOM 778 N LEU A 49 -9.244 7.499 -2.460 1.00 0.00 N ATOM 779 CA LEU A 49 -10.249 7.027 -1.515 1.00 0.00 C ATOM 780 C LEU A 49 -10.273 7.900 -0.264 1.00 0.00 C ATOM 781 O LEU A 49 -11.337 8.180 0.288 1.00 0.00 O ATOM 782 CB LEU A 49 -9.972 5.572 -1.130 1.00 0.00 C ATOM 783 CG LEU A 49 -10.075 4.548 -2.260 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.264 3.304 -1.929 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.530 4.184 -2.519 1.00 0.00 C ATOM 0 H LEU A 49 -8.620 6.772 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.224 7.090 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.970 5.514 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.670 5.286 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.665 4.994 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.349 2.586 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.217 3.577 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.643 2.856 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.584 3.454 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.965 3.758 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.084 5.079 -2.801 1.00 0.00 H new ATOM 797 N TRP A 50 -9.095 8.328 0.175 1.00 0.00 N ATOM 798 CA TRP A 50 -8.982 9.171 1.359 1.00 0.00 C ATOM 799 C TRP A 50 -9.484 10.582 1.073 1.00 0.00 C ATOM 800 O TRP A 50 -10.132 11.203 1.914 1.00 0.00 O ATOM 801 CB TRP A 50 -7.530 9.221 1.838 1.00 0.00 C ATOM 802 CG TRP A 50 -7.215 10.437 2.655 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.524 11.542 2.247 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.578 10.670 4.021 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.435 12.448 3.277 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.075 11.937 4.375 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.281 9.932 4.977 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.252 12.479 5.646 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.456 10.471 6.237 1.00 0.00 C ATOM 810 CH2 TRP A 50 -7.944 11.735 6.562 1.00 0.00 C ATOM 0 H TRP A 50 -8.205 8.105 -0.271 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.602 8.737 2.144 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.319 8.330 2.430 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.868 9.192 0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.109 11.683 1.260 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.968 13.354 3.231 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.680 8.958 4.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.857 13.452 5.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -8.996 9.909 6.984 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.099 12.129 7.555 1.00 0.00 H new ATOM 821 N GLY A 51 -9.180 11.083 -0.121 1.00 0.00 N ATOM 822 CA GLY A 51 -9.609 12.418 -0.496 1.00 0.00 C ATOM 823 C GLY A 51 -11.118 12.544 -0.566 1.00 0.00 C ATOM 824 O GLY A 51 -11.706 13.406 0.085 1.00 0.00 O ATOM 0 H GLY A 51 -8.645 10.588 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.221 13.137 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.181 12.675 -1.465 1.00 0.00 H new ATOM 828 N ASN A 52 -11.746 11.682 -1.359 1.00 0.00 N ATOM 829 CA ASN A 52 -13.196 11.702 -1.514 1.00 0.00 C ATOM 830 C ASN A 52 -13.888 11.674 -0.154 1.00 0.00 C ATOM 831 O ASN A 52 -14.890 12.358 0.058 1.00 0.00 O ATOM 832 CB ASN A 52 -13.657 10.512 -2.357 1.00 0.00 C ATOM 833 CG ASN A 52 -14.919 10.813 -3.141 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.705 11.682 -2.764 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.120 10.092 -4.239 1.00 0.00 N ATOM 0 H ASN A 52 -11.274 10.961 -1.904 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.469 12.626 -2.023 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.862 10.230 -3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.833 9.656 -1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.953 10.249 -4.807 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.442 9.382 -4.514 1.00 0.00 H new ATOM 842 N HIS A 53 -13.347 10.879 0.763 1.00 0.00 N ATOM 843 CA HIS A 53 -13.911 10.763 2.103 1.00 0.00 C ATOM 844 C HIS A 53 -13.953 12.122 2.795 1.00 0.00 C ATOM 845 O HIS A 53 -14.994 12.542 3.301 1.00 0.00 O ATOM 846 CB HIS A 53 -13.095 9.777 2.939 1.00 0.00 C ATOM 847 CG HIS A 53 -13.706 9.473 4.273 1.00 0.00 C ATOM 848 ND1 HIS A 53 -13.835 8.192 4.767 1.00 0.00 N ATOM 849 CD2 HIS A 53 -14.224 10.293 5.217 1.00 0.00 C ATOM 850 CE1 HIS A 53 -14.407 8.238 5.957 1.00 0.00 C ATOM 851 NE2 HIS A 53 -14.652 9.501 6.253 1.00 0.00 N ATOM 0 H HIS A 53 -12.519 10.306 0.603 1.00 0.00 H new ATOM 0 HA HIS A 53 -14.931 10.391 2.010 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -12.981 8.848 2.381 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -12.095 10.183 3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.289 11.370 5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.635 7.387 6.582 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -15.089 9.834 7.112 1.00 0.00 H new ATOM 860 N LYS A 54 -12.813 12.806 2.815 1.00 0.00 N ATOM 861 CA LYS A 54 -12.718 14.117 3.444 1.00 0.00 C ATOM 862 C LYS A 54 -13.192 15.212 2.493 1.00 0.00 C ATOM 863 O LYS A 54 -12.636 16.309 2.469 1.00 0.00 O ATOM 864 CB LYS A 54 -11.277 14.394 3.880 1.00 0.00 C ATOM 865 CG LYS A 54 -10.690 13.306 4.762 1.00 0.00 C ATOM 866 CD LYS A 54 -10.953 13.579 6.234 1.00 0.00 C ATOM 867 CE LYS A 54 -9.961 14.583 6.801 1.00 0.00 C ATOM 868 NZ LYS A 54 -9.730 14.372 8.257 1.00 0.00 N ATOM 0 H LYS A 54 -11.942 12.473 2.402 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.363 14.118 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.653 14.508 2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.244 15.342 4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.119 12.343 4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.616 13.237 4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.967 13.958 6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.889 12.647 6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.014 14.499 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.332 15.594 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.904 15.261 8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.378 13.638 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.747 14.070 8.412 1.00 0.00 H new ATOM 882 N ASN A 55 -14.223 14.907 1.713 1.00 0.00 N ATOM 883 CA ASN A 55 -14.772 15.866 0.761 1.00 0.00 C ATOM 884 C ASN A 55 -13.673 16.757 0.191 1.00 0.00 C ATOM 885 O ASN A 55 -13.799 17.981 0.173 1.00 0.00 O ATOM 886 CB ASN A 55 -15.844 16.726 1.433 1.00 0.00 C ATOM 887 CG ASN A 55 -17.168 15.998 1.569 1.00 0.00 C ATOM 888 OD1 ASN A 55 -17.651 15.382 0.618 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.761 16.066 2.755 1.00 0.00 N ATOM 0 H ASN A 55 -14.696 14.003 1.721 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.224 15.308 -0.059 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.496 17.029 2.420 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.991 17.637 0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.654 15.596 2.907 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.324 16.588 3.515 1.00 0.00 H new ATOM 896 N ARG A 56 -12.595 16.133 -0.273 1.00 0.00 N ATOM 897 CA ARG A 56 -11.472 16.870 -0.843 1.00 0.00 C ATOM 898 C ARG A 56 -11.128 16.345 -2.234 1.00 0.00 C ATOM 899 O ARG A 56 -11.186 15.142 -2.488 1.00 0.00 O ATOM 900 CB ARG A 56 -10.250 16.765 0.070 1.00 0.00 C ATOM 901 CG ARG A 56 -9.031 17.506 -0.456 1.00 0.00 C ATOM 902 CD ARG A 56 -9.009 18.950 0.021 1.00 0.00 C ATOM 903 NE ARG A 56 -8.201 19.800 -0.848 1.00 0.00 N ATOM 904 CZ ARG A 56 -8.664 20.371 -1.955 1.00 0.00 C ATOM 905 NH1 ARG A 56 -9.923 20.182 -2.325 1.00 0.00 N ATOM 906 NH2 ARG A 56 -7.867 21.132 -2.694 1.00 0.00 N ATOM 0 H ARG A 56 -12.475 15.120 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.763 17.917 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.507 17.158 1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.996 15.713 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.125 16.999 -0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.031 17.481 -1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.028 19.335 0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.615 18.991 1.036 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.228 19.965 -0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.538 19.597 -1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.276 20.621 -3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.898 21.279 -2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.224 21.570 -3.544 1.00 0.00 H new ATOM 920 N THR A 57 -10.770 17.257 -3.133 1.00 0.00 N ATOM 921 CA THR A 57 -10.419 16.888 -4.498 1.00 0.00 C ATOM 922 C THR A 57 -8.920 17.026 -4.736 1.00 0.00 C ATOM 923 O THR A 57 -8.228 17.731 -4.003 1.00 0.00 O ATOM 924 CB THR A 57 -11.172 17.753 -5.526 1.00 0.00 C ATOM 925 OG1 THR A 57 -12.581 17.697 -5.274 1.00 0.00 O ATOM 926 CG2 THR A 57 -10.886 17.281 -6.944 1.00 0.00 C ATOM 0 H THR A 57 -10.716 18.257 -2.939 1.00 0.00 H new ATOM 0 HA THR A 57 -10.711 15.846 -4.628 1.00 0.00 H new ATOM 0 HB THR A 57 -10.826 18.782 -5.426 1.00 0.00 H new ATOM 0 HG1 THR A 57 -13.053 18.251 -5.930 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.429 17.907 -7.652 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.817 17.352 -7.142 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.208 16.245 -7.055 1.00 0.00 H new ATOM 934 N ASN A 58 -8.424 16.349 -5.767 1.00 0.00 N ATOM 935 CA ASN A 58 -7.005 16.396 -6.102 1.00 0.00 C ATOM 936 C ASN A 58 -6.151 15.957 -4.916 1.00 0.00 C ATOM 937 O ASN A 58 -5.112 16.552 -4.633 1.00 0.00 O ATOM 938 CB ASN A 58 -6.609 17.810 -6.534 1.00 0.00 C ATOM 939 CG ASN A 58 -6.921 18.077 -7.994 1.00 0.00 C ATOM 940 OD1 ASN A 58 -6.706 17.221 -8.852 1.00 0.00 O ATOM 941 ND2 ASN A 58 -7.432 19.268 -8.281 1.00 0.00 N ATOM 0 H ASN A 58 -8.984 15.761 -6.385 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.829 15.707 -6.928 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.134 18.537 -5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.543 17.955 -6.361 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.663 19.505 -9.246 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.593 19.947 -7.537 1.00 0.00 H new ATOM 948 N MET A 59 -6.598 14.912 -4.227 1.00 0.00 N ATOM 949 CA MET A 59 -5.874 14.392 -3.073 1.00 0.00 C ATOM 950 C MET A 59 -4.707 13.515 -3.514 1.00 0.00 C ATOM 951 O MET A 59 -4.899 12.494 -4.176 1.00 0.00 O ATOM 952 CB MET A 59 -6.816 13.593 -2.170 1.00 0.00 C ATOM 953 CG MET A 59 -6.121 12.957 -0.977 1.00 0.00 C ATOM 954 SD MET A 59 -5.697 14.158 0.300 1.00 0.00 S ATOM 955 CE MET A 59 -7.306 14.467 1.022 1.00 0.00 C ATOM 0 H MET A 59 -7.458 14.409 -4.448 1.00 0.00 H new ATOM 0 HA MET A 59 -5.478 15.239 -2.512 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.607 14.252 -1.811 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.295 12.812 -2.760 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.768 12.191 -0.550 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.214 12.456 -1.314 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.197 15.123 1.886 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.951 14.943 0.283 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.751 13.523 1.337 1.00 0.00 H new ATOM 965 N THR A 60 -3.496 13.918 -3.143 1.00 0.00 N ATOM 966 CA THR A 60 -2.298 13.169 -3.501 1.00 0.00 C ATOM 967 C THR A 60 -1.682 12.498 -2.279 1.00 0.00 C ATOM 968 O THR A 60 -1.533 13.120 -1.226 1.00 0.00 O ATOM 969 CB THR A 60 -1.243 14.078 -4.159 1.00 0.00 C ATOM 970 OG1 THR A 60 -0.099 13.306 -4.540 1.00 0.00 O ATOM 971 CG2 THR A 60 -0.817 15.189 -3.210 1.00 0.00 C ATOM 0 H THR A 60 -3.319 14.759 -2.594 1.00 0.00 H new ATOM 0 HA THR A 60 -2.606 12.405 -4.215 1.00 0.00 H new ATOM 0 HB THR A 60 -1.688 14.529 -5.046 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.566 13.891 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.072 15.818 -3.697 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.684 15.794 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.390 14.752 -2.307 1.00 0.00 H new ATOM 979 N TYR A 61 -1.326 11.227 -2.424 1.00 0.00 N ATOM 980 CA TYR A 61 -0.728 10.471 -1.330 1.00 0.00 C ATOM 981 C TYR A 61 0.345 11.293 -0.623 1.00 0.00 C ATOM 982 O TYR A 61 0.501 11.212 0.595 1.00 0.00 O ATOM 983 CB TYR A 61 -0.124 9.167 -1.854 1.00 0.00 C ATOM 984 CG TYR A 61 0.867 8.533 -0.904 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.434 7.833 0.216 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.235 8.636 -1.124 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.335 7.253 1.088 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.143 8.058 -0.258 1.00 0.00 C ATOM 989 CZ TYR A 61 2.688 7.368 0.846 1.00 0.00 C ATOM 990 OH TYR A 61 3.590 6.792 1.711 1.00 0.00 O ATOM 0 H TYR A 61 -1.441 10.698 -3.289 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.514 10.237 -0.611 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.928 8.458 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.371 9.362 -2.805 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.625 7.741 0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.595 9.177 -1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.982 6.713 1.954 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.203 8.146 -0.444 1.00 0.00 H new ATOM 0 HH TYR A 61 4.502 6.965 1.396 1.00 0.00 H new ATOM 1000 N GLU A 62 1.082 12.084 -1.396 1.00 0.00 N ATOM 1001 CA GLU A 62 2.140 12.921 -0.844 1.00 0.00 C ATOM 1002 C GLU A 62 1.612 13.783 0.299 1.00 0.00 C ATOM 1003 O GLU A 62 2.298 13.998 1.298 1.00 0.00 O ATOM 1004 CB GLU A 62 2.737 13.813 -1.935 1.00 0.00 C ATOM 1005 CG GLU A 62 3.453 13.038 -3.029 1.00 0.00 C ATOM 1006 CD GLU A 62 4.881 12.687 -2.657 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.722 13.608 -2.592 1.00 0.00 O ATOM 1008 OE2 GLU A 62 5.157 11.490 -2.430 1.00 0.00 O ATOM 0 H GLU A 62 0.966 12.163 -2.406 1.00 0.00 H new ATOM 0 HA GLU A 62 2.919 12.266 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.941 14.407 -2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.438 14.512 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.901 12.122 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.455 13.628 -3.945 1.00 0.00 H new ATOM 1015 N LYS A 63 0.387 14.275 0.144 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.236 15.113 1.162 1.00 0.00 C ATOM 1017 C LYS A 63 -0.890 14.259 2.244 1.00 0.00 C ATOM 1018 O LYS A 63 -1.329 14.773 3.272 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.279 16.034 0.525 1.00 0.00 C ATOM 1020 CG LYS A 63 -0.677 17.237 -0.181 1.00 0.00 C ATOM 1021 CD LYS A 63 -1.754 18.152 -0.739 1.00 0.00 C ATOM 1022 CE LYS A 63 -1.166 19.204 -1.668 1.00 0.00 C ATOM 1023 NZ LYS A 63 -0.287 20.159 -0.937 1.00 0.00 N ATOM 0 H LYS A 63 -0.194 14.108 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 63 0.543 15.720 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.869 15.461 -0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.965 16.382 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.051 17.794 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.030 16.899 -0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.492 17.559 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.278 18.642 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.594 18.714 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.973 19.752 -2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.094 20.860 -1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.839 20.645 -0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.498 19.639 -0.495 1.00 0.00 H new ATOM 1037 N MET A 64 -0.949 12.953 2.005 1.00 0.00 N ATOM 1038 CA MET A 64 -1.547 12.028 2.962 1.00 0.00 C ATOM 1039 C MET A 64 -0.512 11.551 3.976 1.00 0.00 C ATOM 1040 O MET A 64 -0.689 11.717 5.182 1.00 0.00 O ATOM 1041 CB MET A 64 -2.155 10.829 2.232 1.00 0.00 C ATOM 1042 CG MET A 64 -3.236 10.117 3.029 1.00 0.00 C ATOM 1043 SD MET A 64 -4.111 8.876 2.058 1.00 0.00 S ATOM 1044 CE MET A 64 -3.280 7.381 2.591 1.00 0.00 C ATOM 0 H MET A 64 -0.591 12.511 1.158 1.00 0.00 H new ATOM 0 HA MET A 64 -2.336 12.556 3.497 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.576 11.166 1.285 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.363 10.119 1.994 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.786 9.640 3.900 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.950 10.851 3.402 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.730 6.952 1.754 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.586 7.618 3.398 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.018 6.662 2.946 1.00 0.00 H new ATOM 1054 N SER A 65 0.567 10.956 3.477 1.00 0.00 N ATOM 1055 CA SER A 65 1.628 10.451 4.340 1.00 0.00 C ATOM 1056 C SER A 65 1.950 11.450 5.448 1.00 0.00 C ATOM 1057 O SER A 65 2.413 11.072 6.524 1.00 0.00 O ATOM 1058 CB SER A 65 2.886 10.158 3.520 1.00 0.00 C ATOM 1059 OG SER A 65 3.863 9.495 4.304 1.00 0.00 O ATOM 0 H SER A 65 0.729 10.812 2.480 1.00 0.00 H new ATOM 0 HA SER A 65 1.279 9.526 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.627 9.542 2.659 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.297 11.090 3.133 1.00 0.00 H new ATOM 0 HG SER A 65 4.656 9.318 3.757 1.00 0.00 H new ATOM 1065 N ARG A 66 1.703 12.726 5.174 1.00 0.00 N ATOM 1066 CA ARG A 66 1.967 13.781 6.146 1.00 0.00 C ATOM 1067 C ARG A 66 1.485 13.374 7.535 1.00 0.00 C ATOM 1068 O ARG A 66 2.285 13.187 8.451 1.00 0.00 O ATOM 1069 CB ARG A 66 1.283 15.081 5.718 1.00 0.00 C ATOM 1070 CG ARG A 66 2.106 15.910 4.745 1.00 0.00 C ATOM 1071 CD ARG A 66 3.002 16.899 5.475 1.00 0.00 C ATOM 1072 NE ARG A 66 4.226 17.181 4.731 1.00 0.00 N ATOM 1073 CZ ARG A 66 5.319 16.429 4.801 1.00 0.00 C ATOM 1074 NH1 ARG A 66 5.339 15.355 5.577 1.00 0.00 N ATOM 1075 NH2 ARG A 66 6.394 16.751 4.093 1.00 0.00 N ATOM 0 H ARG A 66 1.321 13.055 4.287 1.00 0.00 H new ATOM 0 HA ARG A 66 3.044 13.941 6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.324 14.843 5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.072 15.680 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.717 15.250 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.440 16.449 4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.457 17.828 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.258 16.500 6.456 1.00 0.00 H new ATOM 0 HE ARG A 66 4.243 18.001 4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.514 15.104 6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.179 14.779 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.382 17.577 3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.233 16.173 4.148 1.00 0.00 H new ATOM 1089 N ALA A 67 0.171 13.238 7.684 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.417 12.852 8.960 1.00 0.00 C ATOM 1091 C ALA A 67 0.394 11.746 9.627 1.00 0.00 C ATOM 1092 O ALA A 67 1.041 11.968 10.651 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.859 12.406 8.763 1.00 0.00 C ATOM 0 H ALA A 67 -0.506 13.390 6.936 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.403 13.722 9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.286 12.120 9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.438 13.225 8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.887 11.552 8.086 1.00 0.00 H new ATOM 1099 N LEU A 68 0.355 10.555 9.040 1.00 0.00 N ATOM 1100 CA LEU A 68 1.087 9.413 9.578 1.00 0.00 C ATOM 1101 C LEU A 68 2.400 9.859 10.215 1.00 0.00 C ATOM 1102 O LEU A 68 2.809 9.332 11.250 1.00 0.00 O ATOM 1103 CB LEU A 68 1.365 8.393 8.472 1.00 0.00 C ATOM 1104 CG LEU A 68 0.155 7.607 7.966 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.836 7.366 9.094 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.515 8.342 6.814 1.00 0.00 C ATOM 0 H LEU A 68 -0.175 10.355 8.192 1.00 0.00 H new ATOM 0 HA LEU A 68 0.470 8.947 10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.813 8.916 7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.107 7.683 8.838 1.00 0.00 H new ATOM 0 HG LEU A 68 0.502 6.640 7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.690 6.805 8.714 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.352 6.797 9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.177 8.323 9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.374 7.768 6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.847 9.323 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.196 8.462 5.996 1.00 0.00 H new ATOM 1118 N ARG A 69 3.053 10.834 9.591 1.00 0.00 N ATOM 1119 CA ARG A 69 4.319 11.351 10.098 1.00 0.00 C ATOM 1120 C ARG A 69 4.157 11.890 11.516 1.00 0.00 C ATOM 1121 O ARG A 69 4.682 11.319 12.472 1.00 0.00 O ATOM 1122 CB ARG A 69 4.848 12.454 9.179 1.00 0.00 C ATOM 1123 CG ARG A 69 6.359 12.611 9.224 1.00 0.00 C ATOM 1124 CD ARG A 69 6.829 13.081 10.592 1.00 0.00 C ATOM 1125 NE ARG A 69 8.097 13.802 10.516 1.00 0.00 N ATOM 1126 CZ ARG A 69 8.203 15.061 10.104 1.00 0.00 C ATOM 1127 NH1 ARG A 69 7.123 15.734 9.733 1.00 0.00 N ATOM 1128 NH2 ARG A 69 9.392 15.648 10.064 1.00 0.00 N ATOM 0 H ARG A 69 2.727 11.282 8.734 1.00 0.00 H new ATOM 0 HA ARG A 69 5.036 10.530 10.119 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.544 12.239 8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.384 13.400 9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.832 11.659 8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.675 13.326 8.464 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.070 13.727 11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.940 12.221 11.253 1.00 0.00 H new ATOM 0 HE ARG A 69 8.947 13.312 10.794 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.207 15.286 9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.208 16.700 9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.225 15.133 10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.473 16.614 9.748 1.00 0.00 H new ATOM 1142 N HIS A 70 3.427 12.993 11.645 1.00 0.00 N ATOM 1143 CA HIS A 70 3.195 13.610 12.946 1.00 0.00 C ATOM 1144 C HIS A 70 2.979 12.547 14.020 1.00 0.00 C ATOM 1145 O HIS A 70 3.573 12.609 15.097 1.00 0.00 O ATOM 1146 CB HIS A 70 1.986 14.543 12.885 1.00 0.00 C ATOM 1147 CG HIS A 70 2.331 15.946 12.489 1.00 0.00 C ATOM 1148 ND1 HIS A 70 2.688 16.918 13.399 1.00 0.00 N ATOM 1149 CD2 HIS A 70 2.374 16.537 11.272 1.00 0.00 C ATOM 1150 CE1 HIS A 70 2.934 18.048 12.760 1.00 0.00 C ATOM 1151 NE2 HIS A 70 2.751 17.843 11.468 1.00 0.00 N ATOM 0 H HIS A 70 2.986 13.478 10.864 1.00 0.00 H new ATOM 0 HA HIS A 70 4.079 14.192 13.207 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.263 14.141 12.175 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.500 14.559 13.861 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.153 16.069 10.324 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.234 18.980 13.216 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.870 18.542 10.735 1.00 0.00 H new ATOM 1160 N TYR A 71 2.125 11.575 13.719 1.00 0.00 N ATOM 1161 CA TYR A 71 1.828 10.501 14.660 1.00 0.00 C ATOM 1162 C TYR A 71 3.108 9.804 15.113 1.00 0.00 C ATOM 1163 O TYR A 71 3.250 9.441 16.281 1.00 0.00 O ATOM 1164 CB TYR A 71 0.879 9.485 14.023 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.489 10.048 13.710 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.454 10.173 14.703 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -0.818 10.453 12.423 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.705 10.686 14.422 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.067 10.969 12.133 1.00 0.00 C ATOM 1170 CZ TYR A 71 -3.007 11.083 13.136 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.252 11.594 12.851 1.00 0.00 O ATOM 0 H TYR A 71 1.627 11.509 12.832 1.00 0.00 H new ATOM 0 HA TYR A 71 1.346 10.940 15.534 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.327 9.109 13.103 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.767 8.634 14.695 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.221 9.864 15.711 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.085 10.363 11.635 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.443 10.776 15.205 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.306 11.281 11.127 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.888 11.308 13.539 1.00 0.00 H new ATOM 1181 N TYR A 72 4.036 9.622 14.180 1.00 0.00 N ATOM 1182 CA TYR A 72 5.304 8.967 14.481 1.00 0.00 C ATOM 1183 C TYR A 72 5.872 9.465 15.807 1.00 0.00 C ATOM 1184 O TYR A 72 6.199 8.674 16.692 1.00 0.00 O ATOM 1185 CB TYR A 72 6.310 9.216 13.357 1.00 0.00 C ATOM 1186 CG TYR A 72 5.878 8.652 12.022 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.759 7.835 11.921 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.590 8.935 10.863 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.361 7.317 10.703 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.198 8.423 9.641 1.00 0.00 C ATOM 1191 CZ TYR A 72 5.083 7.614 9.567 1.00 0.00 C ATOM 1192 OH TYR A 72 4.691 7.100 8.352 1.00 0.00 O ATOM 0 H TYR A 72 3.934 9.919 13.209 1.00 0.00 H new ATOM 0 HA TYR A 72 5.120 7.896 14.564 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.469 10.289 13.254 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.268 8.777 13.635 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.191 7.601 12.809 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.465 9.566 10.918 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.489 6.683 10.642 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.761 8.655 8.749 1.00 0.00 H new ATOM 0 HH TYR A 72 4.088 6.341 8.497 1.00 0.00 H new ATOM 1202 N LYS A 73 5.987 10.782 15.937 1.00 0.00 N ATOM 1203 CA LYS A 73 6.513 11.388 17.154 1.00 0.00 C ATOM 1204 C LYS A 73 5.663 11.009 18.363 1.00 0.00 C ATOM 1205 O LYS A 73 6.173 10.881 19.477 1.00 0.00 O ATOM 1206 CB LYS A 73 6.563 12.911 17.010 1.00 0.00 C ATOM 1207 CG LYS A 73 7.757 13.407 16.213 1.00 0.00 C ATOM 1208 CD LYS A 73 7.528 13.267 14.718 1.00 0.00 C ATOM 1209 CE LYS A 73 8.311 14.308 13.933 1.00 0.00 C ATOM 1210 NZ LYS A 73 9.719 13.883 13.700 1.00 0.00 N ATOM 0 H LYS A 73 5.723 11.451 15.214 1.00 0.00 H new ATOM 0 HA LYS A 73 7.524 11.010 17.310 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.647 13.252 16.527 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.587 13.361 18.003 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.949 14.452 16.456 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.646 12.845 16.500 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.824 12.269 14.396 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.465 13.370 14.501 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.822 14.484 12.975 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.302 15.254 14.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.219 14.619 13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.194 13.739 14.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.728 12.994 13.161 1.00 0.00 H new ATOM 1224 N LEU A 74 4.367 10.830 18.135 1.00 0.00 N ATOM 1225 CA LEU A 74 3.446 10.464 19.206 1.00 0.00 C ATOM 1226 C LEU A 74 3.617 8.999 19.594 1.00 0.00 C ATOM 1227 O LEU A 74 2.875 8.476 20.424 1.00 0.00 O ATOM 1228 CB LEU A 74 2.002 10.723 18.774 1.00 0.00 C ATOM 1229 CG LEU A 74 1.505 12.162 18.920 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.457 12.476 17.864 1.00 0.00 C ATOM 1231 CD2 LEU A 74 0.944 12.393 20.316 1.00 0.00 C ATOM 0 H LEU A 74 3.930 10.932 17.219 1.00 0.00 H new ATOM 0 HA LEU A 74 3.675 11.080 20.075 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.898 10.428 17.730 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.348 10.073 19.355 1.00 0.00 H new ATOM 0 HG LEU A 74 2.350 12.834 18.773 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.116 13.504 17.984 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.891 12.352 16.872 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.389 11.798 17.977 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.595 13.422 20.402 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.111 11.712 20.491 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.723 12.211 21.056 1.00 0.00 H new ATOM 1243 N ASN A 75 4.602 8.343 18.989 1.00 0.00 N ATOM 1244 CA ASN A 75 4.872 6.938 19.273 1.00 0.00 C ATOM 1245 C ASN A 75 3.666 6.071 18.925 1.00 0.00 C ATOM 1246 O ASN A 75 3.265 5.207 19.706 1.00 0.00 O ATOM 1247 CB ASN A 75 5.238 6.755 20.747 1.00 0.00 C ATOM 1248 CG ASN A 75 6.140 5.557 20.975 1.00 0.00 C ATOM 1249 OD1 ASN A 75 6.598 4.922 20.025 1.00 0.00 O ATOM 1250 ND2 ASN A 75 6.399 5.244 22.239 1.00 0.00 N ATOM 0 H ASN A 75 5.226 8.762 18.299 1.00 0.00 H new ATOM 0 HA ASN A 75 5.713 6.624 18.655 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.735 7.655 21.109 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.326 6.637 21.333 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.000 4.448 22.455 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.997 5.799 22.994 1.00 0.00 H new ATOM 1257 N ILE A 76 3.093 6.308 17.750 1.00 0.00 N ATOM 1258 CA ILE A 76 1.934 5.547 17.299 1.00 0.00 C ATOM 1259 C ILE A 76 2.289 4.654 16.115 1.00 0.00 C ATOM 1260 O ILE A 76 1.932 3.476 16.084 1.00 0.00 O ATOM 1261 CB ILE A 76 0.773 6.476 16.897 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.342 7.335 18.088 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.399 5.662 16.372 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.908 8.146 17.827 1.00 0.00 C ATOM 0 H ILE A 76 3.412 7.020 17.093 1.00 0.00 H new ATOM 0 HA ILE A 76 1.619 4.926 18.137 1.00 0.00 H new ATOM 0 HB ILE A 76 1.115 7.138 16.101 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.173 6.689 18.949 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.156 8.011 18.351 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.211 6.333 16.092 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.083 5.091 15.499 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.744 4.978 17.148 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.154 8.730 18.714 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.737 8.818 16.986 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.735 7.475 17.593 1.00 0.00 H new ATOM 1276 N ILE A 77 2.996 5.222 15.144 1.00 0.00 N ATOM 1277 CA ILE A 77 3.402 4.477 13.959 1.00 0.00 C ATOM 1278 C ILE A 77 4.895 4.638 13.693 1.00 0.00 C ATOM 1279 O ILE A 77 5.477 5.684 13.979 1.00 0.00 O ATOM 1280 CB ILE A 77 2.618 4.929 12.713 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.115 4.751 12.937 1.00 0.00 C ATOM 1282 CG2 ILE A 77 3.072 4.148 11.489 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.268 5.732 12.157 1.00 0.00 C ATOM 0 H ILE A 77 3.300 6.196 15.155 1.00 0.00 H new ATOM 0 HA ILE A 77 3.181 3.428 14.155 1.00 0.00 H new ATOM 0 HB ILE A 77 2.818 5.986 12.540 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.832 3.736 12.657 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.899 4.861 14.000 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.509 4.479 10.617 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.135 4.320 11.321 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.898 3.084 11.651 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.786 5.548 12.364 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.523 6.749 12.454 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.456 5.607 11.091 1.00 0.00 H new ATOM 1295 N ARG A 78 5.508 3.596 13.142 1.00 0.00 N ATOM 1296 CA ARG A 78 6.933 3.622 12.836 1.00 0.00 C ATOM 1297 C ARG A 78 7.176 3.370 11.351 1.00 0.00 C ATOM 1298 O ARG A 78 6.955 2.265 10.853 1.00 0.00 O ATOM 1299 CB ARG A 78 7.675 2.575 13.670 1.00 0.00 C ATOM 1300 CG ARG A 78 9.110 2.959 13.993 1.00 0.00 C ATOM 1301 CD ARG A 78 9.799 1.888 14.825 1.00 0.00 C ATOM 1302 NE ARG A 78 11.253 2.008 14.775 1.00 0.00 N ATOM 1303 CZ ARG A 78 12.084 1.064 15.203 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.605 -0.065 15.708 1.00 0.00 N ATOM 1305 NH2 ARG A 78 13.396 1.247 15.124 1.00 0.00 N ATOM 0 H ARG A 78 5.040 2.723 12.898 1.00 0.00 H new ATOM 0 HA ARG A 78 7.314 4.612 13.086 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.132 2.414 14.602 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.674 1.627 13.132 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.664 3.114 13.067 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.122 3.905 14.534 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.465 1.962 15.860 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.504 0.903 14.464 1.00 0.00 H new ATOM 0 HE ARG A 78 11.653 2.864 14.390 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.597 -0.210 15.768 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.245 -0.789 16.036 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.768 2.113 14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.033 0.521 15.453 1.00 0.00 H new ATOM 1319 N LYS A 79 7.630 4.401 10.647 1.00 0.00 N ATOM 1320 CA LYS A 79 7.903 4.293 9.219 1.00 0.00 C ATOM 1321 C LYS A 79 9.208 3.543 8.970 1.00 0.00 C ATOM 1322 O LYS A 79 10.294 4.091 9.157 1.00 0.00 O ATOM 1323 CB LYS A 79 7.973 5.684 8.585 1.00 0.00 C ATOM 1324 CG LYS A 79 7.772 5.677 7.080 1.00 0.00 C ATOM 1325 CD LYS A 79 7.702 7.088 6.520 1.00 0.00 C ATOM 1326 CE LYS A 79 7.886 7.099 5.011 1.00 0.00 C ATOM 1327 NZ LYS A 79 8.353 8.425 4.518 1.00 0.00 N ATOM 0 H LYS A 79 7.817 5.322 11.043 1.00 0.00 H new ATOM 0 HA LYS A 79 7.089 3.732 8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.215 6.321 9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.942 6.129 8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.591 5.136 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.854 5.142 6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.740 7.534 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.471 7.704 6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.607 6.332 4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.943 6.844 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.741 8.741 3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.312 9.118 5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.332 8.344 4.178 1.00 0.00 H new ATOM 1341 N GLU A 80 9.092 2.288 8.547 1.00 0.00 N ATOM 1342 CA GLU A 80 10.264 1.465 8.272 1.00 0.00 C ATOM 1343 C GLU A 80 11.237 2.193 7.349 1.00 0.00 C ATOM 1344 O GLU A 80 10.844 2.849 6.384 1.00 0.00 O ATOM 1345 CB GLU A 80 9.844 0.135 7.641 1.00 0.00 C ATOM 1346 CG GLU A 80 9.119 -0.792 8.601 1.00 0.00 C ATOM 1347 CD GLU A 80 8.823 -2.149 7.991 1.00 0.00 C ATOM 1348 OE1 GLU A 80 9.466 -2.498 6.979 1.00 0.00 O ATOM 1349 OE2 GLU A 80 7.947 -2.861 8.526 1.00 0.00 O ATOM 0 H GLU A 80 8.200 1.820 8.388 1.00 0.00 H new ATOM 0 HA GLU A 80 10.767 1.268 9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.198 0.336 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.730 -0.372 7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.724 -0.925 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.184 -0.327 8.913 1.00 0.00 H new ATOM 1356 N PRO A 81 12.538 2.077 7.652 1.00 0.00 N ATOM 1357 CA PRO A 81 13.595 2.718 6.863 1.00 0.00 C ATOM 1358 C PRO A 81 13.758 2.081 5.487 1.00 0.00 C ATOM 1359 O PRO A 81 13.874 2.777 4.480 1.00 0.00 O ATOM 1360 CB PRO A 81 14.852 2.495 7.707 1.00 0.00 C ATOM 1361 CG PRO A 81 14.557 1.278 8.513 1.00 0.00 C ATOM 1362 CD PRO A 81 13.079 1.311 8.788 1.00 0.00 C ATOM 0 HA PRO A 81 13.377 3.768 6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.730 2.350 7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.057 3.353 8.347 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.833 0.374 7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.127 1.278 9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.656 0.307 8.834 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.858 1.794 9.740 1.00 0.00 H new ATOM 1370 N GLY A 82 13.764 0.751 5.452 1.00 0.00 N ATOM 1371 CA GLY A 82 13.913 0.043 4.194 1.00 0.00 C ATOM 1372 C GLY A 82 12.886 0.469 3.164 1.00 0.00 C ATOM 1373 O GLY A 82 13.228 0.739 2.013 1.00 0.00 O ATOM 0 H GLY A 82 13.668 0.152 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.914 0.218 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.823 -1.029 4.371 1.00 0.00 H new ATOM 1377 N GLN A 83 11.624 0.528 3.578 1.00 0.00 N ATOM 1378 CA GLN A 83 10.544 0.922 2.681 1.00 0.00 C ATOM 1379 C GLN A 83 9.890 2.217 3.152 1.00 0.00 C ATOM 1380 O GLN A 83 9.645 2.402 4.344 1.00 0.00 O ATOM 1381 CB GLN A 83 9.496 -0.189 2.591 1.00 0.00 C ATOM 1382 CG GLN A 83 9.452 -1.084 3.820 1.00 0.00 C ATOM 1383 CD GLN A 83 10.674 -1.974 3.938 1.00 0.00 C ATOM 1384 OE1 GLN A 83 11.186 -2.481 2.940 1.00 0.00 O ATOM 1385 NE2 GLN A 83 11.148 -2.168 5.163 1.00 0.00 N ATOM 0 H GLN A 83 11.325 0.308 4.528 1.00 0.00 H new ATOM 0 HA GLN A 83 10.970 1.090 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.514 0.260 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.702 -0.801 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.371 -0.465 4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.557 -1.705 3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.692 -1.728 5.962 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.968 -2.757 5.305 1.00 0.00 H new ATOM 1394 N ARG A 84 9.611 3.110 2.208 1.00 0.00 N ATOM 1395 CA ARG A 84 8.988 4.388 2.527 1.00 0.00 C ATOM 1396 C ARG A 84 7.479 4.232 2.689 1.00 0.00 C ATOM 1397 O ARG A 84 6.872 4.839 3.573 1.00 0.00 O ATOM 1398 CB ARG A 84 9.289 5.414 1.433 1.00 0.00 C ATOM 1399 CG ARG A 84 8.782 6.811 1.751 1.00 0.00 C ATOM 1400 CD ARG A 84 8.743 7.686 0.508 1.00 0.00 C ATOM 1401 NE ARG A 84 8.829 9.107 0.836 1.00 0.00 N ATOM 1402 CZ ARG A 84 7.820 9.806 1.344 1.00 0.00 C ATOM 1403 NH1 ARG A 84 6.655 9.218 1.581 1.00 0.00 N ATOM 1404 NH2 ARG A 84 7.975 11.095 1.616 1.00 0.00 N ATOM 0 H ARG A 84 9.807 2.972 1.217 1.00 0.00 H new ATOM 0 HA ARG A 84 9.404 4.740 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.366 5.456 1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.840 5.078 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.784 6.747 2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.426 7.271 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.568 7.416 -0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.820 7.496 -0.040 1.00 0.00 H new ATOM 0 HE ARG A 84 9.712 9.589 0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.532 8.227 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.882 9.757 1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.870 11.550 1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.200 11.631 2.006 1.00 0.00 H new ATOM 1418 N LEU A 85 6.878 3.414 1.832 1.00 0.00 N ATOM 1419 CA LEU A 85 5.440 3.177 1.879 1.00 0.00 C ATOM 1420 C LEU A 85 5.102 2.075 2.878 1.00 0.00 C ATOM 1421 O LEU A 85 4.092 1.383 2.738 1.00 0.00 O ATOM 1422 CB LEU A 85 4.918 2.800 0.491 1.00 0.00 C ATOM 1423 CG LEU A 85 4.390 3.953 -0.363 1.00 0.00 C ATOM 1424 CD1 LEU A 85 4.647 3.686 -1.838 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.905 4.167 -0.109 1.00 0.00 C ATOM 0 H LEU A 85 7.365 2.903 1.096 1.00 0.00 H new ATOM 0 HA LEU A 85 4.956 4.098 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.722 2.307 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.119 2.068 0.612 1.00 0.00 H new ATOM 0 HG LEU A 85 4.922 4.862 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.264 4.517 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.719 3.583 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.142 2.767 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.546 4.991 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.358 3.259 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.746 4.404 0.943 1.00 0.00 H new ATOM 1437 N LEU A 86 5.952 1.917 3.887 1.00 0.00 N ATOM 1438 CA LEU A 86 5.743 0.900 4.912 1.00 0.00 C ATOM 1439 C LEU A 86 5.589 1.538 6.289 1.00 0.00 C ATOM 1440 O LEU A 86 6.408 2.361 6.699 1.00 0.00 O ATOM 1441 CB LEU A 86 6.910 -0.088 4.923 1.00 0.00 C ATOM 1442 CG LEU A 86 6.624 -1.458 5.540 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.848 -1.306 6.839 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.861 -2.336 4.560 1.00 0.00 C ATOM 0 H LEU A 86 6.792 2.480 4.017 1.00 0.00 H new ATOM 0 HA LEU A 86 4.824 0.364 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.244 -0.237 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.739 0.366 5.465 1.00 0.00 H new ATOM 0 HG LEU A 86 7.576 -1.941 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.653 -2.291 7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.432 -0.715 7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.902 -0.803 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.666 -3.307 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.915 -1.859 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.454 -2.473 3.656 1.00 0.00 H new ATOM 1456 N PHE A 87 4.534 1.152 7.000 1.00 0.00 N ATOM 1457 CA PHE A 87 4.273 1.685 8.331 1.00 0.00 C ATOM 1458 C PHE A 87 4.056 0.557 9.336 1.00 0.00 C ATOM 1459 O PHE A 87 3.431 -0.456 9.022 1.00 0.00 O ATOM 1460 CB PHE A 87 3.050 2.603 8.306 1.00 0.00 C ATOM 1461 CG PHE A 87 2.974 3.467 7.079 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.847 4.530 6.910 1.00 0.00 C ATOM 1463 CD2 PHE A 87 2.031 3.216 6.096 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.779 5.327 5.783 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.959 4.010 4.967 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.835 5.066 4.809 1.00 0.00 C ATOM 0 H PHE A 87 3.846 0.472 6.676 1.00 0.00 H new ATOM 0 HA PHE A 87 5.145 2.262 8.641 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.148 1.995 8.369 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.066 3.241 9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.589 4.738 7.667 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.344 2.391 6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.464 6.154 5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.218 3.805 4.209 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.782 5.686 3.926 1.00 0.00 H new ATOM 1476 N ARG A 88 4.578 0.740 10.544 1.00 0.00 N ATOM 1477 CA ARG A 88 4.443 -0.262 11.595 1.00 0.00 C ATOM 1478 C ARG A 88 3.643 0.289 12.772 1.00 0.00 C ATOM 1479 O ARG A 88 3.999 1.314 13.353 1.00 0.00 O ATOM 1480 CB ARG A 88 5.822 -0.720 12.072 1.00 0.00 C ATOM 1481 CG ARG A 88 5.774 -1.639 13.282 1.00 0.00 C ATOM 1482 CD ARG A 88 7.170 -2.021 13.748 1.00 0.00 C ATOM 1483 NE ARG A 88 7.732 -3.111 12.956 1.00 0.00 N ATOM 1484 CZ ARG A 88 9.036 -3.318 12.810 1.00 0.00 C ATOM 1485 NH1 ARG A 88 9.908 -2.512 13.401 1.00 0.00 N ATOM 1486 NH2 ARG A 88 9.471 -4.332 12.074 1.00 0.00 N ATOM 0 H ARG A 88 5.098 1.573 10.820 1.00 0.00 H new ATOM 0 HA ARG A 88 3.907 -1.116 11.181 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.327 -1.235 11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.422 0.157 12.316 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.241 -1.145 14.094 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.213 -2.540 13.034 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.824 -1.152 13.684 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.134 -2.316 14.797 1.00 0.00 H new ATOM 0 HE ARG A 88 7.088 -3.749 12.489 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.578 -1.732 13.969 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.909 -2.673 13.288 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.804 -4.955 11.619 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.473 -4.489 11.963 1.00 0.00 H new ATOM 1500 N PHE A 89 2.559 -0.399 13.117 1.00 0.00 N ATOM 1501 CA PHE A 89 1.707 0.022 14.224 1.00 0.00 C ATOM 1502 C PHE A 89 2.302 -0.408 15.562 1.00 0.00 C ATOM 1503 O PHE A 89 1.881 -1.404 16.149 1.00 0.00 O ATOM 1504 CB PHE A 89 0.303 -0.564 14.065 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.655 0.356 13.365 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -0.722 1.698 13.706 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.490 -0.120 12.367 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.602 2.548 13.064 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.373 0.726 11.722 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.430 2.061 12.071 1.00 0.00 C ATOM 0 H PHE A 89 2.250 -1.250 12.647 1.00 0.00 H new ATOM 0 HA PHE A 89 1.643 1.110 14.208 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.369 -1.499 13.508 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.094 -0.807 15.050 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.079 2.084 14.483 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.451 -1.163 12.090 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.643 3.592 13.338 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.018 0.343 10.945 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.120 2.723 11.569 1.00 0.00 H new ATOM 1520 N MET A 90 3.284 0.351 16.037 1.00 0.00 N ATOM 1521 CA MET A 90 3.937 0.049 17.306 1.00 0.00 C ATOM 1522 C MET A 90 2.907 -0.268 18.385 1.00 0.00 C ATOM 1523 O MET A 90 2.752 -1.420 18.791 1.00 0.00 O ATOM 1524 CB MET A 90 4.809 1.226 17.747 1.00 0.00 C ATOM 1525 CG MET A 90 5.856 1.626 16.719 1.00 0.00 C ATOM 1526 SD MET A 90 6.461 3.307 16.962 1.00 0.00 S ATOM 1527 CE MET A 90 7.710 3.038 18.218 1.00 0.00 C ATOM 0 H MET A 90 3.645 1.179 15.563 1.00 0.00 H new ATOM 0 HA MET A 90 4.568 -0.828 17.162 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.169 2.084 17.955 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.309 0.968 18.681 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.694 0.931 16.771 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.430 1.538 15.719 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.238 3.972 18.412 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.234 2.693 19.136 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.419 2.286 17.871 1.00 0.00 H new ATOM 1537 N LYS A 91 2.204 0.761 18.846 1.00 0.00 N ATOM 1538 CA LYS A 91 1.187 0.593 19.878 1.00 0.00 C ATOM 1539 C LYS A 91 -0.195 0.420 19.257 1.00 0.00 C ATOM 1540 O LYS A 91 -0.453 0.892 18.149 1.00 0.00 O ATOM 1541 CB LYS A 91 1.187 1.796 20.824 1.00 0.00 C ATOM 1542 CG LYS A 91 0.708 1.466 22.227 1.00 0.00 C ATOM 1543 CD LYS A 91 0.278 2.716 22.977 1.00 0.00 C ATOM 1544 CE LYS A 91 1.477 3.494 23.498 1.00 0.00 C ATOM 1545 NZ LYS A 91 1.938 2.983 24.819 1.00 0.00 N ATOM 0 H LYS A 91 2.320 1.721 18.521 1.00 0.00 H new ATOM 0 HA LYS A 91 1.426 -0.307 20.445 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.196 2.203 20.880 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.551 2.576 20.406 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.127 0.768 22.173 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.506 0.967 22.777 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.311 3.353 22.317 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.367 2.438 23.811 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.293 3.429 22.778 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.215 4.548 23.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.756 3.539 25.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.168 3.069 25.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.212 1.984 24.728 1.00 0.00 H new ATOM 1559 N THR A 92 -1.083 -0.257 19.978 1.00 0.00 N ATOM 1560 CA THR A 92 -2.439 -0.491 19.498 1.00 0.00 C ATOM 1561 C THR A 92 -3.197 0.821 19.330 1.00 0.00 C ATOM 1562 O THR A 92 -3.117 1.723 20.164 1.00 0.00 O ATOM 1563 CB THR A 92 -3.224 -1.406 20.457 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.541 -2.654 20.613 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.632 -1.654 19.936 1.00 0.00 C ATOM 0 H THR A 92 -0.887 -0.653 20.897 1.00 0.00 H new ATOM 0 HA THR A 92 -2.351 -0.983 18.529 1.00 0.00 H new ATOM 0 HB THR A 92 -3.293 -0.908 21.424 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.046 -3.229 21.225 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.168 -2.303 20.629 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.159 -0.704 19.847 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.579 -2.133 18.958 1.00 0.00 H new ATOM 1573 N PRO A 93 -3.951 0.932 18.227 1.00 0.00 N ATOM 1574 CA PRO A 93 -4.740 2.130 17.924 1.00 0.00 C ATOM 1575 C PRO A 93 -5.924 2.299 18.870 1.00 0.00 C ATOM 1576 O PRO A 93 -6.169 3.390 19.385 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.228 1.882 16.495 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.234 0.400 16.348 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.094 -0.104 17.190 1.00 0.00 C ATOM 0 HA PRO A 93 -4.154 3.043 18.036 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.223 2.299 16.339 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.568 2.350 15.765 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.182 -0.022 16.682 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.106 0.111 15.305 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.316 -1.079 17.624 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.181 -0.216 16.605 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.655 1.213 19.095 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.813 1.240 19.980 1.00 0.00 C ATOM 1589 C ASP A 94 -7.419 1.715 21.376 1.00 0.00 C ATOM 1590 O ASP A 94 -8.203 2.367 22.064 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.453 -0.146 20.061 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.957 -0.080 20.245 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -10.416 0.709 21.097 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -10.674 -0.819 19.538 1.00 0.00 O ATOM 0 H ASP A 94 -6.466 0.302 18.676 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.538 1.942 19.568 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.225 -0.702 19.151 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.012 -0.698 20.891 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.200 1.381 21.786 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.703 1.772 23.101 1.00 0.00 C ATOM 1601 C GLU A 95 -5.433 3.272 23.156 1.00 0.00 C ATOM 1602 O GLU A 95 -6.009 3.987 23.976 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.426 0.999 23.438 1.00 0.00 C ATOM 1604 CG GLU A 95 -3.482 1.756 24.358 1.00 0.00 C ATOM 1605 CD GLU A 95 -4.214 2.521 25.443 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -5.284 2.048 25.883 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -3.719 3.591 25.853 1.00 0.00 O ATOM 0 H GLU A 95 -5.538 0.841 21.228 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.469 1.532 23.838 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.697 0.053 23.907 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.903 0.757 22.513 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.789 1.053 24.819 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.885 2.451 23.768 1.00 0.00 H new ATOM 1614 N ILE A 96 -4.553 3.742 22.278 1.00 0.00 N ATOM 1615 CA ILE A 96 -4.206 5.157 22.226 1.00 0.00 C ATOM 1616 C ILE A 96 -5.436 6.032 22.441 1.00 0.00 C ATOM 1617 O ILE A 96 -5.375 7.047 23.134 1.00 0.00 O ATOM 1618 CB ILE A 96 -3.554 5.528 20.882 1.00 0.00 C ATOM 1619 CG1 ILE A 96 -2.222 4.793 20.716 1.00 0.00 C ATOM 1620 CG2 ILE A 96 -3.350 7.033 20.789 1.00 0.00 C ATOM 1621 CD1 ILE A 96 -1.876 4.487 19.275 1.00 0.00 C ATOM 0 H ILE A 96 -4.067 3.163 21.593 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.490 5.336 23.028 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.220 5.221 20.075 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.426 5.397 21.152 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.259 3.860 21.278 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.888 7.279 19.833 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.314 7.536 20.867 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.702 7.363 21.601 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.920 3.966 19.233 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.652 3.857 18.840 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.807 5.418 18.712 1.00 0.00 H new ATOM 1633 N MET A 97 -6.553 5.630 21.843 1.00 0.00 N ATOM 1634 CA MET A 97 -7.799 6.377 21.972 1.00 0.00 C ATOM 1635 C MET A 97 -7.907 7.023 23.349 1.00 0.00 C ATOM 1636 O MET A 97 -8.359 8.160 23.478 1.00 0.00 O ATOM 1637 CB MET A 97 -8.998 5.456 21.733 1.00 0.00 C ATOM 1638 CG MET A 97 -9.076 4.917 20.314 1.00 0.00 C ATOM 1639 SD MET A 97 -9.915 6.046 19.187 1.00 0.00 S ATOM 1640 CE MET A 97 -9.519 5.304 17.606 1.00 0.00 C ATOM 0 H MET A 97 -6.621 4.792 21.265 1.00 0.00 H new ATOM 0 HA MET A 97 -7.799 7.166 21.220 1.00 0.00 H new ATOM 0 HB2 MET A 97 -8.947 4.619 22.429 1.00 0.00 H new ATOM 0 HB3 MET A 97 -9.915 6.001 21.957 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.068 4.726 19.946 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.600 3.961 20.321 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.970 5.891 16.806 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.437 5.282 17.475 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.909 4.287 17.574 1.00 0.00 H new ATOM 1650 N SER A 98 -7.488 6.290 24.376 1.00 0.00 N ATOM 1651 CA SER A 98 -7.541 6.790 25.745 1.00 0.00 C ATOM 1652 C SER A 98 -6.354 7.703 26.036 1.00 0.00 C ATOM 1653 O SER A 98 -5.231 7.237 26.226 1.00 0.00 O ATOM 1654 CB SER A 98 -7.559 5.625 26.736 1.00 0.00 C ATOM 1655 OG SER A 98 -6.456 4.760 26.526 1.00 0.00 O ATOM 0 H SER A 98 -7.108 5.348 24.286 1.00 0.00 H new ATOM 0 HA SER A 98 -8.458 7.368 25.859 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.534 6.010 27.755 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.489 5.066 26.629 1.00 0.00 H new ATOM 0 HG SER A 98 -6.471 4.429 25.604 1.00 0.00 H new ATOM 1661 N GLY A 99 -6.611 9.007 26.070 1.00 0.00 N ATOM 1662 CA GLY A 99 -5.555 9.965 26.338 1.00 0.00 C ATOM 1663 C GLY A 99 -5.978 11.032 27.328 1.00 0.00 C ATOM 1664 O GLY A 99 -6.874 10.812 28.143 1.00 0.00 O ATOM 0 H GLY A 99 -7.532 9.417 25.917 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.682 9.440 26.725 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.253 10.439 25.404 1.00 0.00 H new ATOM 1668 N ARG A 100 -5.329 12.190 27.261 1.00 0.00 N ATOM 1669 CA ARG A 100 -5.641 13.294 28.161 1.00 0.00 C ATOM 1670 C ARG A 100 -5.891 14.580 27.378 1.00 0.00 C ATOM 1671 O ARG A 100 -7.019 15.070 27.310 1.00 0.00 O ATOM 1672 CB ARG A 100 -4.501 13.504 29.158 1.00 0.00 C ATOM 1673 CG ARG A 100 -4.569 12.583 30.365 1.00 0.00 C ATOM 1674 CD ARG A 100 -3.813 11.286 30.119 1.00 0.00 C ATOM 1675 NE ARG A 100 -4.208 10.237 31.054 1.00 0.00 N ATOM 1676 CZ ARG A 100 -3.843 8.966 30.930 1.00 0.00 C ATOM 1677 NH1 ARG A 100 -3.077 8.589 29.916 1.00 0.00 N ATOM 1678 NH2 ARG A 100 -4.242 8.069 31.823 1.00 0.00 N ATOM 0 H ARG A 100 -4.584 12.388 26.593 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.550 13.040 28.707 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.550 13.350 28.647 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.515 14.539 29.500 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.151 13.090 31.235 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.611 12.360 30.596 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.994 10.949 29.098 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.742 11.468 30.209 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.797 10.494 31.846 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.766 9.276 29.229 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.798 7.612 29.823 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.830 8.355 32.606 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.961 7.093 31.726 1.00 0.00 H new ATOM 1692 N THR A 101 -4.830 15.122 26.788 1.00 0.00 N ATOM 1693 CA THR A 101 -4.934 16.351 26.011 1.00 0.00 C ATOM 1694 C THR A 101 -5.419 16.068 24.594 1.00 0.00 C ATOM 1695 O THR A 101 -5.646 14.916 24.225 1.00 0.00 O ATOM 1696 CB THR A 101 -3.582 17.087 25.941 1.00 0.00 C ATOM 1697 OG1 THR A 101 -3.796 18.486 25.726 1.00 0.00 O ATOM 1698 CG2 THR A 101 -2.716 16.523 24.825 1.00 0.00 C ATOM 0 H THR A 101 -3.890 14.730 26.833 1.00 0.00 H new ATOM 0 HA THR A 101 -5.660 16.985 26.520 1.00 0.00 H new ATOM 0 HB THR A 101 -3.065 16.941 26.889 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.932 18.947 25.685 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.767 17.058 24.795 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.530 15.465 25.008 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.230 16.641 23.871 1.00 0.00 H new ATOM 1706 N ASP A 102 -5.575 17.125 23.805 1.00 0.00 N ATOM 1707 CA ASP A 102 -6.032 16.989 22.427 1.00 0.00 C ATOM 1708 C ASP A 102 -5.493 15.707 21.800 1.00 0.00 C ATOM 1709 O ASP A 102 -4.317 15.624 21.446 1.00 0.00 O ATOM 1710 CB ASP A 102 -5.594 18.199 21.600 1.00 0.00 C ATOM 1711 CG ASP A 102 -6.410 19.438 21.911 1.00 0.00 C ATOM 1712 OD1 ASP A 102 -6.374 19.895 23.073 1.00 0.00 O ATOM 1713 OD2 ASP A 102 -7.084 19.951 20.994 1.00 0.00 O ATOM 0 H ASP A 102 -5.392 18.085 24.096 1.00 0.00 H new ATOM 0 HA ASP A 102 -7.121 16.939 22.435 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.541 18.404 21.791 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -5.686 17.963 20.540 1.00 0.00 H new ATOM 1718 N ARG A 103 -6.361 14.709 21.666 1.00 0.00 N ATOM 1719 CA ARG A 103 -5.972 13.430 21.084 1.00 0.00 C ATOM 1720 C ARG A 103 -5.534 13.605 19.633 1.00 0.00 C ATOM 1721 O ARG A 103 -6.319 13.396 18.707 1.00 0.00 O ATOM 1722 CB ARG A 103 -7.132 12.436 21.162 1.00 0.00 C ATOM 1723 CG ARG A 103 -7.772 12.353 22.539 1.00 0.00 C ATOM 1724 CD ARG A 103 -7.104 11.293 23.400 1.00 0.00 C ATOM 1725 NE ARG A 103 -8.016 10.748 24.402 1.00 0.00 N ATOM 1726 CZ ARG A 103 -8.403 11.415 25.484 1.00 0.00 C ATOM 1727 NH1 ARG A 103 -7.960 12.646 25.701 1.00 0.00 N ATOM 1728 NH2 ARG A 103 -9.235 10.851 26.350 1.00 0.00 N ATOM 0 H ARG A 103 -7.338 14.762 21.953 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.130 13.040 21.655 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.892 12.720 20.434 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -6.772 11.447 20.878 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.702 13.322 23.033 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -8.833 12.124 22.435 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.740 10.486 22.764 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.235 11.724 23.897 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.376 9.804 24.264 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.321 13.083 25.037 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.258 13.156 26.532 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -9.578 9.905 26.185 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.532 11.364 27.180 1.00 0.00 H new ATOM 1742 N LEU A 104 -4.277 13.988 19.442 1.00 0.00 N ATOM 1743 CA LEU A 104 -3.734 14.191 18.103 1.00 0.00 C ATOM 1744 C LEU A 104 -4.790 14.774 17.170 1.00 0.00 C ATOM 1745 O LEU A 104 -4.842 14.436 15.988 1.00 0.00 O ATOM 1746 CB LEU A 104 -3.211 12.870 17.538 1.00 0.00 C ATOM 1747 CG LEU A 104 -3.912 11.604 18.032 1.00 0.00 C ATOM 1748 CD1 LEU A 104 -5.229 11.403 17.300 1.00 0.00 C ATOM 1749 CD2 LEU A 104 -3.010 10.391 17.854 1.00 0.00 C ATOM 0 H LEU A 104 -3.614 14.164 20.197 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.909 14.900 18.176 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.292 12.905 16.452 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.150 12.790 17.777 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.125 11.721 19.095 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.713 10.497 17.665 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.879 12.259 17.479 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.040 11.308 16.231 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.525 9.499 18.211 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.766 10.271 16.799 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.092 10.533 18.425 1.00 0.00 H new ATOM 1761 N GLU A 105 -5.629 15.653 17.709 1.00 0.00 N ATOM 1762 CA GLU A 105 -6.683 16.284 16.923 1.00 0.00 C ATOM 1763 C GLU A 105 -6.098 17.293 15.939 1.00 0.00 C ATOM 1764 O GLU A 105 -6.528 17.375 14.787 1.00 0.00 O ATOM 1765 CB GLU A 105 -7.690 16.977 17.842 1.00 0.00 C ATOM 1766 CG GLU A 105 -8.504 16.014 18.690 1.00 0.00 C ATOM 1767 CD GLU A 105 -9.778 16.639 19.223 1.00 0.00 C ATOM 1768 OE1 GLU A 105 -9.683 17.647 19.955 1.00 0.00 O ATOM 1769 OE2 GLU A 105 -10.870 16.121 18.910 1.00 0.00 O ATOM 0 H GLU A 105 -5.599 15.944 18.686 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.194 15.505 16.357 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.157 17.664 18.499 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.369 17.577 17.236 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.756 15.136 18.095 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.896 15.669 19.526 1.00 0.00 H new ATOM 1776 N HIS A 106 -5.115 18.060 16.400 1.00 0.00 N ATOM 1777 CA HIS A 106 -4.471 19.064 15.561 1.00 0.00 C ATOM 1778 C HIS A 106 -4.044 18.463 14.226 1.00 0.00 C ATOM 1779 O HIS A 106 -3.897 19.175 13.231 1.00 0.00 O ATOM 1780 CB HIS A 106 -3.257 19.655 16.279 1.00 0.00 C ATOM 1781 CG HIS A 106 -2.663 18.740 17.305 1.00 0.00 C ATOM 1782 ND1 HIS A 106 -1.544 17.970 17.069 1.00 0.00 N ATOM 1783 CD2 HIS A 106 -3.038 18.475 18.578 1.00 0.00 C ATOM 1784 CE1 HIS A 106 -1.258 17.270 18.152 1.00 0.00 C ATOM 1785 NE2 HIS A 106 -2.149 17.559 19.083 1.00 0.00 N ATOM 0 H HIS A 106 -4.747 18.005 17.350 1.00 0.00 H new ATOM 0 HA HIS A 106 -5.192 19.858 15.368 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -2.494 19.904 15.541 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -3.549 20.588 16.762 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -3.880 18.904 19.100 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.435 16.579 18.258 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -2.173 17.166 20.024 1.00 0.00 H new ATOM 1794 N LEU A 107 -3.846 17.149 14.210 1.00 0.00 N ATOM 1795 CA LEU A 107 -3.435 16.452 12.996 1.00 0.00 C ATOM 1796 C LEU A 107 -4.644 16.102 12.133 1.00 0.00 C ATOM 1797 O LEU A 107 -4.601 15.160 11.343 1.00 0.00 O ATOM 1798 CB LEU A 107 -2.662 15.181 13.351 1.00 0.00 C ATOM 1799 CG LEU A 107 -1.425 15.371 14.230 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -0.831 16.755 14.023 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -1.774 15.152 15.695 1.00 0.00 C ATOM 0 H LEU A 107 -3.963 16.545 15.024 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.786 17.117 12.427 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.342 14.496 13.858 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.354 14.696 12.425 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.679 14.631 13.940 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.048 16.872 14.657 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.544 16.875 12.978 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.571 17.511 14.286 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.882 15.291 16.306 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.537 15.869 15.998 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.153 14.139 15.831 1.00 0.00 H new ATOM 1813 N GLU A 108 -5.718 16.868 12.290 1.00 0.00 N ATOM 1814 CA GLU A 108 -6.938 16.639 11.525 1.00 0.00 C ATOM 1815 C GLU A 108 -6.941 17.470 10.245 1.00 0.00 C ATOM 1816 O GLU A 108 -6.975 16.928 9.140 1.00 0.00 O ATOM 1817 CB GLU A 108 -8.168 16.977 12.369 1.00 0.00 C ATOM 1818 CG GLU A 108 -9.467 16.978 11.580 1.00 0.00 C ATOM 1819 CD GLU A 108 -10.597 17.669 12.318 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -10.647 17.564 13.561 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -11.433 18.315 11.651 1.00 0.00 O ATOM 0 H GLU A 108 -5.768 17.653 12.940 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.973 15.584 11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -8.248 16.257 13.183 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.028 17.958 12.823 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.306 17.474 10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.756 15.950 11.361 1.00 0.00 H new ATOM 1828 N SER A 109 -6.907 18.789 10.403 1.00 0.00 N ATOM 1829 CA SER A 109 -6.910 19.696 9.261 1.00 0.00 C ATOM 1830 C SER A 109 -5.496 20.167 8.937 1.00 0.00 C ATOM 1831 O SER A 109 -5.129 20.304 7.770 1.00 0.00 O ATOM 1832 CB SER A 109 -7.808 20.902 9.544 1.00 0.00 C ATOM 1833 OG SER A 109 -7.816 21.801 8.448 1.00 0.00 O ATOM 0 H SER A 109 -6.877 19.254 11.311 1.00 0.00 H new ATOM 0 HA SER A 109 -7.300 19.154 8.399 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.824 20.563 9.748 1.00 0.00 H new ATOM 0 HB3 SER A 109 -7.459 21.417 10.439 1.00 0.00 H new ATOM 0 HG SER A 109 -8.398 22.562 8.653 1.00 0.00 H new ATOM 1839 N GLN A 110 -4.707 20.411 9.978 1.00 0.00 N ATOM 1840 CA GLN A 110 -3.332 20.866 9.804 1.00 0.00 C ATOM 1841 C GLN A 110 -2.686 20.197 8.596 1.00 0.00 C ATOM 1842 O GLN A 110 -2.174 20.869 7.702 1.00 0.00 O ATOM 1843 CB GLN A 110 -2.513 20.576 11.063 1.00 0.00 C ATOM 1844 CG GLN A 110 -1.149 21.247 11.070 1.00 0.00 C ATOM 1845 CD GLN A 110 -1.189 22.642 11.661 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -1.470 23.617 10.964 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -0.907 22.745 12.955 1.00 0.00 N ATOM 0 H GLN A 110 -4.996 20.302 10.950 1.00 0.00 H new ATOM 0 HA GLN A 110 -3.351 21.942 9.632 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.076 20.906 11.936 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -2.379 19.499 11.159 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -0.450 20.635 11.640 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.769 21.299 10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -0.679 21.910 13.495 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.918 23.659 13.408 1.00 0.00 H new ATOM 1856 N GLU A 111 -2.712 18.867 8.578 1.00 0.00 N ATOM 1857 CA GLU A 111 -2.127 18.107 7.480 1.00 0.00 C ATOM 1858 C GLU A 111 -3.097 18.012 6.306 1.00 0.00 C ATOM 1859 O GLU A 111 -3.191 16.976 5.646 1.00 0.00 O ATOM 1860 CB GLU A 111 -1.739 16.704 7.951 1.00 0.00 C ATOM 1861 CG GLU A 111 -0.342 16.626 8.543 1.00 0.00 C ATOM 1862 CD GLU A 111 -0.297 17.065 9.994 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -0.580 16.227 10.876 1.00 0.00 O ATOM 1864 OE2 GLU A 111 0.020 18.246 10.247 1.00 0.00 O ATOM 0 H GLU A 111 -3.132 18.295 9.311 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.231 18.631 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.460 16.368 8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.807 16.015 7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.025 15.602 8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.332 17.251 7.957 1.00 0.00 H new ATOM 1871 N LEU A 112 -3.819 19.098 6.053 1.00 0.00 N ATOM 1872 CA LEU A 112 -4.784 19.138 4.959 1.00 0.00 C ATOM 1873 C LEU A 112 -4.993 20.567 4.470 1.00 0.00 C ATOM 1874 O LEU A 112 -5.113 21.496 5.268 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.118 18.539 5.408 1.00 0.00 C ATOM 1876 CG LEU A 112 -6.117 17.038 5.698 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -7.418 16.622 6.366 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -5.896 16.248 4.417 1.00 0.00 C ATOM 0 H LEU A 112 -3.755 19.963 6.590 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.387 18.546 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.444 19.062 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.861 18.739 4.636 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.297 16.820 6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.399 15.550 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.534 17.163 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.255 16.854 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.898 15.182 4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.695 16.471 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.936 16.524 3.980 1.00 0.00 H new ATOM 1890 N SER A 113 -5.038 20.735 3.152 1.00 0.00 N ATOM 1891 CA SER A 113 -5.232 22.052 2.555 1.00 0.00 C ATOM 1892 C SER A 113 -6.527 22.688 3.052 1.00 0.00 C ATOM 1893 O SER A 113 -7.504 21.995 3.333 1.00 0.00 O ATOM 1894 CB SER A 113 -5.256 21.945 1.029 1.00 0.00 C ATOM 1895 OG SER A 113 -5.430 23.218 0.432 1.00 0.00 O ATOM 0 H SER A 113 -4.943 19.976 2.477 1.00 0.00 H new ATOM 0 HA SER A 113 -4.398 22.686 2.855 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.325 21.499 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.064 21.281 0.720 1.00 0.00 H new ATOM 0 HG SER A 113 -5.440 23.123 -0.543 1.00 0.00 H new ATOM 1901 N GLY A 114 -6.526 24.013 3.157 1.00 0.00 N ATOM 1902 CA GLY A 114 -7.705 24.722 3.620 1.00 0.00 C ATOM 1903 C GLY A 114 -7.396 25.685 4.749 1.00 0.00 C ATOM 1904 O GLY A 114 -6.241 25.880 5.129 1.00 0.00 O ATOM 0 H GLY A 114 -5.730 24.609 2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.145 25.272 2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.451 24.001 3.955 1.00 0.00 H new ATOM 1908 N PRO A 115 -8.446 26.308 5.304 1.00 0.00 N ATOM 1909 CA PRO A 115 -8.307 27.268 6.403 1.00 0.00 C ATOM 1910 C PRO A 115 -7.890 26.598 7.708 1.00 0.00 C ATOM 1911 O PRO A 115 -7.742 25.378 7.771 1.00 0.00 O ATOM 1912 CB PRO A 115 -9.710 27.865 6.533 1.00 0.00 C ATOM 1913 CG PRO A 115 -10.620 26.816 5.992 1.00 0.00 C ATOM 1914 CD PRO A 115 -9.851 26.124 4.901 1.00 0.00 C ATOM 0 HA PRO A 115 -7.532 28.007 6.202 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -9.947 28.097 7.571 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -9.798 28.794 5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -10.911 26.112 6.771 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.537 27.258 5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.114 25.069 4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.051 26.567 3.925 1.00 0.00 H new ATOM 1922 N SER A 116 -7.703 27.404 8.748 1.00 0.00 N ATOM 1923 CA SER A 116 -7.300 26.889 10.052 1.00 0.00 C ATOM 1924 C SER A 116 -8.520 26.592 10.919 1.00 0.00 C ATOM 1925 O SER A 116 -8.759 25.446 11.301 1.00 0.00 O ATOM 1926 CB SER A 116 -6.389 27.892 10.761 1.00 0.00 C ATOM 1927 OG SER A 116 -5.103 27.921 10.166 1.00 0.00 O ATOM 0 H SER A 116 -7.824 28.416 8.713 1.00 0.00 H new ATOM 0 HA SER A 116 -6.752 25.960 9.895 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.835 28.886 10.720 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.300 27.626 11.814 1.00 0.00 H new ATOM 0 HG SER A 116 -4.540 28.571 10.636 1.00 0.00 H new ATOM 1933 N SER A 117 -9.287 27.632 11.226 1.00 0.00 N ATOM 1934 CA SER A 117 -10.480 27.485 12.052 1.00 0.00 C ATOM 1935 C SER A 117 -11.405 26.413 11.483 1.00 0.00 C ATOM 1936 O SER A 117 -11.677 25.404 12.132 1.00 0.00 O ATOM 1937 CB SER A 117 -11.226 28.817 12.151 1.00 0.00 C ATOM 1938 OG SER A 117 -10.391 29.830 12.685 1.00 0.00 O ATOM 0 H SER A 117 -9.104 28.586 10.915 1.00 0.00 H new ATOM 0 HA SER A 117 -10.165 27.178 13.050 1.00 0.00 H new ATOM 0 HB2 SER A 117 -11.578 29.115 11.163 1.00 0.00 H new ATOM 0 HB3 SER A 117 -12.107 28.698 12.781 1.00 0.00 H new ATOM 0 HG SER A 117 -10.890 30.672 12.737 1.00 0.00 H new ATOM 1944 N GLY A 118 -11.887 26.641 10.265 1.00 0.00 N ATOM 1945 CA GLY A 118 -12.776 25.687 9.628 1.00 0.00 C ATOM 1946 C GLY A 118 -13.672 26.333 8.590 1.00 0.00 C ATOM 1947 O GLY A 118 -14.893 26.358 8.744 1.00 0.00 O ATOM 0 H GLY A 118 -11.678 27.469 9.708 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.184 24.903 9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -13.393 25.207 10.388 1.00 0.00 H new TER 1951 GLY A 118