USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 54 SER OG : rot -172:sc= 0.516 USER MOD Set 1.2: A 71 ASN : amide:sc= -0.565 X(o=-0.049,f=0.14) USER MOD Set 2.1: A 43 THR OG1 : rot -57:sc= 1.22 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.976 K(o=2.2,f=-3.6!) USER MOD Set 3.1: A 41 ASN : amide:sc= 0.972 K(o=1,f=-0.013) USER MOD Set 3.2: A 67 THR OG1 : rot 130:sc= 0.0302 USER MOD Set 4.1: A 40 LYS NZ :NH3+ 170:sc= 1.38 (180deg=0.767) USER MOD Set 4.2: A 66 TYR OH : rot -164:sc= 1.74 USER MOD Set 5.1: A 12 GLN : amide:sc= 0.726 K(o=1.6,f=-1.6) USER MOD Set 5.2: A 49 ASN : amide:sc= 0.842 K(o=1.6,f=-0.79) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.0005) USER MOD Single : A 13 TYR OH : rot 17:sc= 1.23 USER MOD Single : A 14 GLN : amide:sc= 1.5 K(o=1.5,f=-0.1) USER MOD Single : A 15 GLN : amide:sc= 0.988 K(o=0.99,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.915 K(o=0.91,f=-2.9!) USER MOD Single : A 19 GLN : amide:sc= 0.805 K(o=0.81,f=-0.25) USER MOD Single : A 23 ASN : amide:sc= 1.09 K(o=1.1,f=-0.99) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1.32 (180deg=1.22) USER MOD Single : A 47 TYR OH : rot -15:sc= 0.237 USER MOD Single : A 48 CYS SG : rot 160:sc= -0.382 USER MOD Single : A 53 GLN : amide:sc= 0.728 K(o=0.73,f=-0.012) USER MOD Single : A 56 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.19) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 1.16 (180deg=1.07) USER MOD Single : A 62 SER OG : rot -81:sc= 1.24 USER MOD Single : A 64 MET CE :methyl 172:sc=-0.000962 (180deg=-0.0694) USER MOD Single : A 76 LYS NZ :NH3+ 152:sc= 0.201 (180deg=-0.365) USER MOD Single : A 80 MET CE :methyl -176:sc= 0 (180deg=-0.0149) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= 1.87 (180deg=0.61) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= 2 (180deg=1.93) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.278 -0.109 1.113 1.00 0.00 N ATOM 2 CA ALA A 1 0.395 -0.180 -0.363 1.00 0.00 C ATOM 3 C ALA A 1 1.241 -1.394 -0.776 1.00 0.00 C ATOM 4 O ALA A 1 2.354 -1.240 -1.285 1.00 0.00 O ATOM 5 CB ALA A 1 0.946 1.142 -0.934 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.297 0.717 1.376 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.177 -0.975 1.467 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.225 -0.019 1.532 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.598 -0.318 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.023 1.066 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.273 1.959 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.932 1.337 -0.513 1.00 0.00 H new ATOM 13 N GLU A 2 0.734 -2.616 -0.581 1.00 0.00 N ATOM 14 CA GLU A 2 1.376 -3.856 -1.005 1.00 0.00 C ATOM 15 C GLU A 2 0.282 -4.917 -1.180 1.00 0.00 C ATOM 16 O GLU A 2 -0.695 -4.925 -0.423 1.00 0.00 O ATOM 17 CB GLU A 2 2.383 -4.287 0.083 1.00 0.00 C ATOM 18 CG GLU A 2 3.163 -5.573 -0.232 1.00 0.00 C ATOM 19 CD GLU A 2 4.099 -5.965 0.924 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.120 -5.275 1.147 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.833 -6.985 1.600 1.00 0.00 O ATOM 0 H GLU A 2 -0.158 -2.769 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 2 1.911 -3.727 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.095 -3.477 0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.845 -4.426 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.463 -6.386 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.747 -5.432 -1.142 1.00 0.00 H new ATOM 28 N HIS A 3 0.485 -5.842 -2.119 1.00 0.00 N ATOM 29 CA HIS A 3 -0.283 -7.066 -2.307 1.00 0.00 C ATOM 30 C HIS A 3 0.696 -8.144 -2.770 1.00 0.00 C ATOM 31 O HIS A 3 1.778 -7.827 -3.263 1.00 0.00 O ATOM 32 CB HIS A 3 -1.376 -6.902 -3.376 1.00 0.00 C ATOM 33 CG HIS A 3 -2.484 -5.941 -3.026 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.434 -6.099 -2.040 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.778 -4.779 -3.685 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.271 -5.049 -2.100 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.917 -4.213 -3.095 1.00 0.00 N ATOM 0 H HIS A 3 1.233 -5.748 -2.806 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.776 -7.326 -1.370 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.908 -6.568 -4.302 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.815 -7.879 -3.575 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.227 -4.368 -4.518 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.112 -4.896 -1.440 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.382 -3.346 -3.364 1.00 0.00 H new ATOM 45 N TRP A 4 0.295 -9.410 -2.677 1.00 0.00 N ATOM 46 CA TRP A 4 1.068 -10.537 -3.175 1.00 0.00 C ATOM 47 C TRP A 4 0.163 -11.278 -4.138 1.00 0.00 C ATOM 48 O TRP A 4 -0.893 -11.769 -3.730 1.00 0.00 O ATOM 49 CB TRP A 4 1.538 -11.428 -2.017 1.00 0.00 C ATOM 50 CG TRP A 4 2.583 -10.844 -1.109 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.394 -9.810 -0.259 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.977 -11.255 -0.918 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.558 -9.536 0.422 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.558 -10.423 0.089 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.811 -12.248 -1.483 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.880 -10.585 0.532 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.138 -12.418 -1.044 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.673 -11.595 -0.037 1.00 0.00 C ATOM 0 H TRP A 4 -0.589 -9.682 -2.247 1.00 0.00 H new ATOM 0 HA TRP A 4 1.975 -10.212 -3.684 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.669 -11.691 -1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.928 -12.356 -2.436 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.464 -9.276 -0.133 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.667 -8.772 1.089 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.424 -12.886 -2.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.282 -9.941 1.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.752 -13.189 -1.486 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.690 -11.739 0.298 1.00 0.00 H new ATOM 69 N ILE A 5 0.555 -11.317 -5.409 1.00 0.00 N ATOM 70 CA ILE A 5 -0.235 -11.886 -6.484 1.00 0.00 C ATOM 71 C ILE A 5 0.595 -13.041 -7.034 1.00 0.00 C ATOM 72 O ILE A 5 1.617 -12.853 -7.697 1.00 0.00 O ATOM 73 CB ILE A 5 -0.603 -10.827 -7.552 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.084 -9.466 -6.990 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.665 -11.413 -8.501 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.375 -9.474 -6.170 1.00 0.00 C ATOM 0 H ILE A 5 1.452 -10.944 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.201 -12.248 -6.133 1.00 0.00 H new ATOM 0 HB ILE A 5 0.323 -10.601 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.289 -9.056 -6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.218 -8.781 -7.827 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.928 -10.671 -9.255 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.266 -12.302 -8.990 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.554 -11.681 -7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.600 -8.461 -5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.195 -9.844 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.251 -10.123 -5.303 1.00 0.00 H new ATOM 88 N ASP A 6 0.183 -14.251 -6.686 1.00 0.00 N ATOM 89 CA ASP A 6 0.713 -15.488 -7.223 1.00 0.00 C ATOM 90 C ASP A 6 0.335 -15.566 -8.703 1.00 0.00 C ATOM 91 O ASP A 6 -0.852 -15.670 -9.023 1.00 0.00 O ATOM 92 CB ASP A 6 0.084 -16.636 -6.435 1.00 0.00 C ATOM 93 CG ASP A 6 0.563 -18.006 -6.882 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.708 -18.156 -7.345 1.00 0.00 O ATOM 95 OD2 ASP A 6 -0.217 -18.971 -6.722 1.00 0.00 O ATOM 0 H ASP A 6 -0.555 -14.400 -5.998 1.00 0.00 H new ATOM 0 HA ASP A 6 1.798 -15.542 -7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.310 -16.507 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.000 -16.587 -6.538 1.00 0.00 H new ATOM 100 N VAL A 7 1.318 -15.477 -9.603 1.00 0.00 N ATOM 101 CA VAL A 7 1.097 -15.498 -11.056 1.00 0.00 C ATOM 102 C VAL A 7 1.245 -16.910 -11.638 1.00 0.00 C ATOM 103 O VAL A 7 1.157 -17.114 -12.852 1.00 0.00 O ATOM 104 CB VAL A 7 1.988 -14.459 -11.764 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.627 -13.034 -11.321 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.490 -14.703 -11.551 1.00 0.00 C ATOM 0 H VAL A 7 2.300 -15.387 -9.343 1.00 0.00 H new ATOM 0 HA VAL A 7 0.063 -15.208 -11.244 1.00 0.00 H new ATOM 0 HB VAL A 7 1.791 -14.573 -12.830 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.270 -12.319 -11.835 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.586 -12.829 -11.569 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.769 -12.941 -10.244 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.061 -13.937 -12.075 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.718 -14.660 -10.486 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.758 -15.685 -11.940 1.00 0.00 H new ATOM 116 N ARG A 8 1.504 -17.883 -10.768 1.00 0.00 N ATOM 117 CA ARG A 8 1.585 -19.309 -11.048 1.00 0.00 C ATOM 118 C ARG A 8 0.236 -19.846 -11.512 1.00 0.00 C ATOM 119 O ARG A 8 -0.805 -19.226 -11.271 1.00 0.00 O ATOM 120 CB ARG A 8 1.936 -19.935 -9.701 1.00 0.00 C ATOM 121 CG ARG A 8 2.456 -21.369 -9.634 1.00 0.00 C ATOM 122 CD ARG A 8 2.881 -21.755 -8.200 1.00 0.00 C ATOM 123 NE ARG A 8 2.104 -21.081 -7.144 1.00 0.00 N ATOM 124 CZ ARG A 8 1.835 -21.537 -5.921 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.342 -22.674 -5.452 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.027 -20.833 -5.152 1.00 0.00 N ATOM 0 H ARG A 8 1.674 -17.679 -9.783 1.00 0.00 H new ATOM 0 HA ARG A 8 2.309 -19.530 -11.833 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.686 -19.297 -9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.042 -19.886 -9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.682 -22.054 -9.981 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.305 -21.480 -10.308 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.780 -22.834 -8.080 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.937 -21.517 -8.068 1.00 0.00 H new ATOM 0 HE ARG A 8 1.730 -20.161 -7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.964 -23.234 -6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.109 -22.986 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.624 -19.962 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.805 -21.160 -4.212 1.00 0.00 H new ATOM 140 N VAL A 9 0.247 -21.047 -12.090 1.00 0.00 N ATOM 141 CA VAL A 9 -0.982 -21.773 -12.370 1.00 0.00 C ATOM 142 C VAL A 9 -1.777 -21.989 -11.067 1.00 0.00 C ATOM 143 O VAL A 9 -1.179 -22.239 -10.014 1.00 0.00 O ATOM 144 CB VAL A 9 -0.692 -23.089 -13.127 1.00 0.00 C ATOM 145 CG1 VAL A 9 -0.127 -22.793 -14.525 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.273 -24.032 -12.385 1.00 0.00 C ATOM 0 H VAL A 9 1.097 -21.535 -12.372 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.608 -21.177 -13.034 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.651 -23.602 -13.201 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.071 -23.731 -15.043 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.851 -22.210 -15.094 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.800 -22.228 -14.431 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.428 -24.934 -12.978 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.228 -23.529 -12.233 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.153 -24.302 -11.419 1.00 0.00 H new ATOM 156 N PRO A 10 -3.119 -21.916 -11.111 1.00 0.00 N ATOM 157 CA PRO A 10 -3.940 -21.935 -9.906 1.00 0.00 C ATOM 158 C PRO A 10 -3.948 -23.314 -9.234 1.00 0.00 C ATOM 159 O PRO A 10 -4.183 -23.412 -8.030 1.00 0.00 O ATOM 160 CB PRO A 10 -5.330 -21.496 -10.374 1.00 0.00 C ATOM 161 CG PRO A 10 -5.388 -21.974 -11.822 1.00 0.00 C ATOM 162 CD PRO A 10 -3.955 -21.743 -12.294 1.00 0.00 C ATOM 0 HA PRO A 10 -3.551 -21.270 -9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.117 -21.948 -9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.454 -20.415 -10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.676 -23.023 -11.894 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.108 -21.405 -12.410 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.681 -22.452 -13.075 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.837 -20.744 -12.715 1.00 0.00 H new ATOM 170 N GLU A 11 -3.639 -24.383 -9.975 1.00 0.00 N ATOM 171 CA GLU A 11 -3.612 -25.741 -9.440 1.00 0.00 C ATOM 172 C GLU A 11 -2.468 -25.969 -8.439 1.00 0.00 C ATOM 173 O GLU A 11 -2.474 -26.992 -7.751 1.00 0.00 O ATOM 174 CB GLU A 11 -3.555 -26.769 -10.585 1.00 0.00 C ATOM 175 CG GLU A 11 -4.815 -26.776 -11.468 1.00 0.00 C ATOM 176 CD GLU A 11 -6.114 -27.064 -10.687 1.00 0.00 C ATOM 177 OE1 GLU A 11 -6.186 -28.079 -9.956 1.00 0.00 O ATOM 178 OE2 GLU A 11 -7.083 -26.282 -10.813 1.00 0.00 O ATOM 0 H GLU A 11 -3.400 -24.327 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.538 -25.880 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.686 -26.559 -11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.412 -27.764 -10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.906 -25.810 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.697 -27.526 -12.250 1.00 0.00 H new ATOM 185 N GLN A 12 -1.506 -25.045 -8.315 1.00 0.00 N ATOM 186 CA GLN A 12 -0.466 -25.121 -7.288 1.00 0.00 C ATOM 187 C GLN A 12 -0.789 -24.234 -6.079 1.00 0.00 C ATOM 188 O GLN A 12 -0.359 -24.551 -4.972 1.00 0.00 O ATOM 189 CB GLN A 12 0.893 -24.756 -7.888 1.00 0.00 C ATOM 190 CG GLN A 12 1.426 -25.805 -8.876 1.00 0.00 C ATOM 191 CD GLN A 12 2.841 -25.468 -9.355 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.720 -25.117 -8.569 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.102 -25.549 -10.650 1.00 0.00 N ATOM 0 H GLN A 12 -1.429 -24.229 -8.922 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.427 -26.149 -6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.811 -23.796 -8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.615 -24.627 -7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.427 -26.785 -8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.757 -25.869 -9.734 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.372 -25.840 -11.300 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.033 -25.320 -10.998 1.00 0.00 H new ATOM 202 N TYR A 13 -1.585 -23.172 -6.245 1.00 0.00 N ATOM 203 CA TYR A 13 -2.065 -22.335 -5.138 1.00 0.00 C ATOM 204 C TYR A 13 -2.746 -23.171 -4.052 1.00 0.00 C ATOM 205 O TYR A 13 -2.474 -22.986 -2.866 1.00 0.00 O ATOM 206 CB TYR A 13 -3.007 -21.254 -5.685 1.00 0.00 C ATOM 207 CG TYR A 13 -3.551 -20.277 -4.655 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.786 -19.163 -4.259 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.850 -20.448 -4.137 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.325 -18.198 -3.388 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.389 -19.500 -3.249 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.635 -18.362 -2.881 1.00 0.00 C ATOM 213 OH TYR A 13 -5.191 -17.426 -2.063 1.00 0.00 O ATOM 0 H TYR A 13 -1.918 -22.866 -7.159 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.208 -21.853 -4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.477 -20.689 -6.452 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.848 -21.744 -6.175 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.777 -19.048 -4.627 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.434 -21.310 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.740 -17.335 -3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.381 -19.642 -2.847 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.688 -16.588 -2.136 1.00 0.00 H new ATOM 223 N GLN A 14 -3.577 -24.142 -4.446 1.00 0.00 N ATOM 224 CA GLN A 14 -4.253 -25.036 -3.504 1.00 0.00 C ATOM 225 C GLN A 14 -3.275 -25.935 -2.721 1.00 0.00 C ATOM 226 O GLN A 14 -3.661 -26.496 -1.696 1.00 0.00 O ATOM 227 CB GLN A 14 -5.320 -25.860 -4.251 1.00 0.00 C ATOM 228 CG GLN A 14 -4.718 -26.947 -5.159 1.00 0.00 C ATOM 229 CD GLN A 14 -5.686 -27.484 -6.218 1.00 0.00 C ATOM 230 OE1 GLN A 14 -6.902 -27.525 -6.042 1.00 0.00 O ATOM 231 NE2 GLN A 14 -5.148 -27.894 -7.353 1.00 0.00 N ATOM 0 H GLN A 14 -3.798 -24.329 -5.424 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.743 -24.420 -2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.983 -26.329 -3.524 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.932 -25.189 -4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.838 -26.542 -5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.378 -27.776 -4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.137 -27.853 -7.482 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.744 -28.251 -8.100 1.00 0.00 H new ATOM 240 N GLN A 15 -2.032 -26.098 -3.197 1.00 0.00 N ATOM 241 CA GLN A 15 -1.036 -26.987 -2.604 1.00 0.00 C ATOM 242 C GLN A 15 -0.103 -26.205 -1.679 1.00 0.00 C ATOM 243 O GLN A 15 0.294 -26.721 -0.630 1.00 0.00 O ATOM 244 CB GLN A 15 -0.230 -27.701 -3.707 1.00 0.00 C ATOM 245 CG GLN A 15 -1.110 -28.509 -4.678 1.00 0.00 C ATOM 246 CD GLN A 15 -0.280 -29.233 -5.743 1.00 0.00 C ATOM 247 OE1 GLN A 15 0.600 -30.034 -5.437 1.00 0.00 O ATOM 248 NE2 GLN A 15 -0.535 -28.975 -7.017 1.00 0.00 N ATOM 0 H GLN A 15 -1.689 -25.604 -4.021 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.554 -27.741 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.336 -26.960 -4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.495 -28.369 -3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.693 -29.238 -4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.820 -27.840 -5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.267 -28.309 -7.266 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.000 -29.442 -7.749 1.00 0.00 H new ATOM 257 N GLU A 16 0.230 -24.963 -2.034 1.00 0.00 N ATOM 258 CA GLU A 16 0.980 -24.045 -1.187 1.00 0.00 C ATOM 259 C GLU A 16 0.775 -22.618 -1.685 1.00 0.00 C ATOM 260 O GLU A 16 0.861 -22.383 -2.892 1.00 0.00 O ATOM 261 CB GLU A 16 2.475 -24.402 -1.232 1.00 0.00 C ATOM 262 CG GLU A 16 3.280 -23.744 -0.103 1.00 0.00 C ATOM 263 CD GLU A 16 4.646 -24.415 0.050 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.686 -25.644 0.283 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.691 -23.735 -0.072 1.00 0.00 O ATOM 0 H GLU A 16 -0.021 -24.563 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 16 0.626 -24.125 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.587 -25.484 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.888 -24.095 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.412 -22.683 -0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.727 -23.816 0.834 1.00 0.00 H new ATOM 272 N HIS A 17 0.573 -21.657 -0.784 1.00 0.00 N ATOM 273 CA HIS A 17 0.590 -20.229 -1.091 1.00 0.00 C ATOM 274 C HIS A 17 1.023 -19.442 0.146 1.00 0.00 C ATOM 275 O HIS A 17 0.951 -19.960 1.262 1.00 0.00 O ATOM 276 CB HIS A 17 -0.778 -19.763 -1.619 1.00 0.00 C ATOM 277 CG HIS A 17 -1.974 -20.025 -0.735 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.755 -21.157 -0.750 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.600 -19.122 0.084 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.818 -20.946 0.042 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.769 -19.714 0.583 1.00 0.00 N ATOM 0 H HIS A 17 0.389 -21.855 0.200 1.00 0.00 H new ATOM 0 HA HIS A 17 1.314 -20.041 -1.884 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.722 -18.691 -1.806 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.954 -20.246 -2.580 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.560 -22.011 -1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.252 -18.124 0.307 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.604 -21.665 0.221 1.00 0.00 H new ATOM 289 N VAL A 18 1.494 -18.205 -0.041 1.00 0.00 N ATOM 290 CA VAL A 18 1.837 -17.310 1.061 1.00 0.00 C ATOM 291 C VAL A 18 0.532 -16.892 1.748 1.00 0.00 C ATOM 292 O VAL A 18 -0.477 -16.659 1.077 1.00 0.00 O ATOM 293 CB VAL A 18 2.641 -16.097 0.535 1.00 0.00 C ATOM 294 CG1 VAL A 18 3.029 -15.129 1.661 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.928 -16.542 -0.178 1.00 0.00 C ATOM 0 H VAL A 18 1.647 -17.798 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 18 2.475 -17.810 1.789 1.00 0.00 H new ATOM 0 HB VAL A 18 1.983 -15.586 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.592 -14.293 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.127 -14.754 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.644 -15.651 2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.468 -15.665 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.557 -17.097 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.673 -17.180 -1.024 1.00 0.00 H new ATOM 305 N GLN A 19 0.550 -16.779 3.079 1.00 0.00 N ATOM 306 CA GLN A 19 -0.592 -16.317 3.862 1.00 0.00 C ATOM 307 C GLN A 19 -1.087 -14.966 3.329 1.00 0.00 C ATOM 308 O GLN A 19 -0.339 -13.985 3.309 1.00 0.00 O ATOM 309 CB GLN A 19 -0.218 -16.253 5.356 1.00 0.00 C ATOM 310 CG GLN A 19 -0.174 -17.666 5.959 1.00 0.00 C ATOM 311 CD GLN A 19 0.322 -17.746 7.403 1.00 0.00 C ATOM 312 OE1 GLN A 19 0.325 -16.772 8.154 1.00 0.00 O ATOM 313 NE2 GLN A 19 0.750 -18.926 7.823 1.00 0.00 N ATOM 0 H GLN A 19 1.367 -17.009 3.645 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.414 -17.026 3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.752 -15.770 5.474 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.945 -15.644 5.893 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.175 -18.094 5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.469 -18.289 5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.742 -19.726 7.190 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.087 -19.035 8.779 1.00 0.00 H new ATOM 322 N GLY A 20 -2.348 -14.929 2.890 1.00 0.00 N ATOM 323 CA GLY A 20 -3.028 -13.724 2.426 1.00 0.00 C ATOM 324 C GLY A 20 -2.792 -13.397 0.948 1.00 0.00 C ATOM 325 O GLY A 20 -3.348 -12.407 0.466 1.00 0.00 O ATOM 0 H GLY A 20 -2.937 -15.761 2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.099 -13.837 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.698 -12.879 3.030 1.00 0.00 H new ATOM 329 N ALA A 21 -1.984 -14.177 0.217 1.00 0.00 N ATOM 330 CA ALA A 21 -1.736 -13.929 -1.200 1.00 0.00 C ATOM 331 C ALA A 21 -2.984 -14.212 -2.038 1.00 0.00 C ATOM 332 O ALA A 21 -3.740 -15.147 -1.758 1.00 0.00 O ATOM 333 CB ALA A 21 -0.575 -14.792 -1.693 1.00 0.00 C ATOM 0 H ALA A 21 -1.491 -14.988 0.591 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.477 -12.876 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.401 -14.597 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.324 -14.550 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.819 -15.845 -1.553 1.00 0.00 H new ATOM 339 N ILE A 22 -3.155 -13.431 -3.102 1.00 0.00 N ATOM 340 CA ILE A 22 -4.128 -13.660 -4.164 1.00 0.00 C ATOM 341 C ILE A 22 -3.452 -14.605 -5.171 1.00 0.00 C ATOM 342 O ILE A 22 -2.222 -14.649 -5.233 1.00 0.00 O ATOM 343 CB ILE A 22 -4.482 -12.313 -4.862 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.581 -11.080 -3.928 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.778 -12.414 -5.692 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.642 -11.177 -2.822 1.00 0.00 C ATOM 0 H ILE A 22 -2.598 -12.590 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.051 -14.087 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.624 -12.142 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.609 -10.919 -3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.793 -10.201 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.986 -11.452 -6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.658 -13.175 -6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.608 -12.687 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.630 -10.265 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.627 -11.303 -3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.424 -12.032 -2.182 1.00 0.00 H new ATOM 358 N ASN A 23 -4.223 -15.298 -6.012 1.00 0.00 N ATOM 359 CA ASN A 23 -3.695 -15.969 -7.199 1.00 0.00 C ATOM 360 C ASN A 23 -4.491 -15.460 -8.380 1.00 0.00 C ATOM 361 O ASN A 23 -5.724 -15.470 -8.352 1.00 0.00 O ATOM 362 CB ASN A 23 -3.746 -17.505 -7.134 1.00 0.00 C ATOM 363 CG ASN A 23 -3.401 -18.141 -8.490 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.212 -18.145 -9.409 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.211 -18.691 -8.664 1.00 0.00 N ATOM 0 H ASN A 23 -5.229 -15.409 -5.888 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.634 -15.735 -7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.048 -17.861 -6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.741 -17.824 -6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.972 -19.116 -9.560 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.533 -18.690 -7.902 1.00 0.00 H new ATOM 372 N ILE A 24 -3.767 -15.019 -9.402 1.00 0.00 N ATOM 373 CA ILE A 24 -4.317 -14.707 -10.706 1.00 0.00 C ATOM 374 C ILE A 24 -3.216 -15.156 -11.667 1.00 0.00 C ATOM 375 O ILE A 24 -2.136 -14.565 -11.625 1.00 0.00 O ATOM 376 CB ILE A 24 -4.656 -13.204 -10.876 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.425 -12.581 -9.687 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.428 -13.074 -12.189 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.734 -11.086 -9.832 1.00 0.00 C ATOM 0 H ILE A 24 -2.760 -14.867 -9.341 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.270 -15.206 -10.881 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.728 -12.633 -10.899 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.363 -13.120 -9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.843 -12.731 -8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.691 -12.029 -12.355 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.807 -13.427 -13.013 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.337 -13.673 -12.137 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.274 -10.739 -8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.802 -10.529 -9.928 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.346 -10.925 -10.720 1.00 0.00 H new ATOM 391 N PRO A 25 -3.427 -16.194 -12.494 1.00 0.00 N ATOM 392 CA PRO A 25 -2.365 -16.728 -13.331 1.00 0.00 C ATOM 393 C PRO A 25 -1.929 -15.658 -14.338 1.00 0.00 C ATOM 394 O PRO A 25 -2.724 -14.794 -14.716 1.00 0.00 O ATOM 395 CB PRO A 25 -2.953 -17.994 -13.964 1.00 0.00 C ATOM 396 CG PRO A 25 -4.452 -17.709 -14.015 1.00 0.00 C ATOM 397 CD PRO A 25 -4.685 -16.881 -12.750 1.00 0.00 C ATOM 0 HA PRO A 25 -1.456 -16.990 -12.790 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.545 -18.171 -14.959 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.734 -18.879 -13.367 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.728 -17.159 -14.915 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.038 -18.628 -14.010 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.498 -16.169 -12.892 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.962 -17.518 -11.910 1.00 0.00 H new ATOM 405 N LEU A 26 -0.668 -15.708 -14.777 1.00 0.00 N ATOM 406 CA LEU A 26 -0.030 -14.637 -15.553 1.00 0.00 C ATOM 407 C LEU A 26 -0.835 -14.209 -16.790 1.00 0.00 C ATOM 408 O LEU A 26 -0.899 -13.021 -17.105 1.00 0.00 O ATOM 409 CB LEU A 26 1.400 -15.079 -15.924 1.00 0.00 C ATOM 410 CG LEU A 26 2.254 -14.031 -16.672 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.294 -12.677 -15.954 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.689 -14.556 -16.807 1.00 0.00 C ATOM 0 H LEU A 26 -0.053 -16.503 -14.602 1.00 0.00 H new ATOM 0 HA LEU A 26 0.007 -13.745 -14.928 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.922 -15.360 -15.009 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.335 -15.975 -16.542 1.00 0.00 H new ATOM 0 HG LEU A 26 1.793 -13.876 -17.647 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.908 -11.980 -16.525 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.282 -12.281 -15.867 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.720 -12.805 -14.959 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.297 -13.821 -17.334 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.108 -14.730 -15.816 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.683 -15.491 -17.367 1.00 0.00 H new ATOM 424 N LYS A 27 -1.497 -15.153 -17.468 1.00 0.00 N ATOM 425 CA LYS A 27 -2.346 -14.860 -18.624 1.00 0.00 C ATOM 426 C LYS A 27 -3.496 -13.904 -18.284 1.00 0.00 C ATOM 427 O LYS A 27 -3.901 -13.118 -19.139 1.00 0.00 O ATOM 428 CB LYS A 27 -2.854 -16.168 -19.261 1.00 0.00 C ATOM 429 CG LYS A 27 -3.799 -16.992 -18.362 1.00 0.00 C ATOM 430 CD LYS A 27 -4.125 -18.377 -18.947 1.00 0.00 C ATOM 431 CE LYS A 27 -4.835 -18.355 -20.312 1.00 0.00 C ATOM 432 NZ LYS A 27 -6.215 -17.807 -20.247 1.00 0.00 N ATOM 0 H LYS A 27 -1.458 -16.144 -17.228 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.733 -14.338 -19.358 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.373 -15.928 -20.189 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.996 -16.785 -19.527 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.342 -17.116 -17.380 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.726 -16.438 -18.214 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.197 -18.941 -19.046 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.752 -18.917 -18.237 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.247 -17.759 -21.010 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.872 -19.369 -20.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.638 -17.819 -21.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.790 -18.389 -19.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.184 -16.829 -19.894 1.00 0.00 H new ATOM 446 N GLU A 28 -4.020 -13.960 -17.058 1.00 0.00 N ATOM 447 CA GLU A 28 -5.150 -13.167 -16.601 1.00 0.00 C ATOM 448 C GLU A 28 -4.706 -11.937 -15.824 1.00 0.00 C ATOM 449 O GLU A 28 -5.362 -10.903 -15.926 1.00 0.00 O ATOM 450 CB GLU A 28 -6.061 -14.041 -15.721 1.00 0.00 C ATOM 451 CG GLU A 28 -7.416 -14.231 -16.396 1.00 0.00 C ATOM 452 CD GLU A 28 -8.306 -15.218 -15.624 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.663 -14.929 -14.461 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.671 -16.278 -16.185 1.00 0.00 O ATOM 0 H GLU A 28 -3.653 -14.581 -16.336 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.695 -12.819 -17.479 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.593 -15.010 -15.549 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.194 -13.574 -14.745 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.922 -13.269 -16.472 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.268 -14.594 -17.413 1.00 0.00 H new ATOM 461 N VAL A 29 -3.607 -12.008 -15.067 1.00 0.00 N ATOM 462 CA VAL A 29 -3.167 -10.898 -14.212 1.00 0.00 C ATOM 463 C VAL A 29 -2.944 -9.635 -15.042 1.00 0.00 C ATOM 464 O VAL A 29 -3.264 -8.535 -14.602 1.00 0.00 O ATOM 465 CB VAL A 29 -1.926 -11.310 -13.391 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.579 -11.127 -14.101 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.871 -10.558 -12.056 1.00 0.00 C ATOM 0 H VAL A 29 -3.001 -12.828 -15.028 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.953 -10.661 -13.494 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.061 -12.381 -13.240 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.227 -11.445 -13.440 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.562 -11.729 -15.010 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.443 -10.077 -14.359 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.987 -10.869 -11.500 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.823 -9.485 -12.244 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.764 -10.785 -11.474 1.00 0.00 H new ATOM 477 N LYS A 30 -2.474 -9.824 -16.276 1.00 0.00 N ATOM 478 CA LYS A 30 -2.214 -8.774 -17.255 1.00 0.00 C ATOM 479 C LYS A 30 -3.451 -7.926 -17.576 1.00 0.00 C ATOM 480 O LYS A 30 -3.307 -6.811 -18.073 1.00 0.00 O ATOM 481 CB LYS A 30 -1.632 -9.453 -18.511 1.00 0.00 C ATOM 482 CG LYS A 30 -0.818 -8.496 -19.395 1.00 0.00 C ATOM 483 CD LYS A 30 -0.401 -9.119 -20.737 1.00 0.00 C ATOM 484 CE LYS A 30 0.505 -10.351 -20.577 1.00 0.00 C ATOM 485 NZ LYS A 30 0.901 -10.925 -21.889 1.00 0.00 N ATOM 0 H LYS A 30 -2.256 -10.754 -16.633 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.501 -8.061 -16.841 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.996 -10.284 -18.205 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.447 -9.875 -19.099 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.406 -7.599 -19.586 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.075 -8.183 -18.854 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.295 -9.403 -21.292 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.119 -8.369 -21.333 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.399 -10.074 -20.018 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.015 -11.109 -19.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.511 -11.753 -21.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.050 -11.214 -22.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.420 -10.210 -22.438 1.00 0.00 H new ATOM 499 N GLU A 31 -4.656 -8.407 -17.270 1.00 0.00 N ATOM 500 CA GLU A 31 -5.878 -7.617 -17.355 1.00 0.00 C ATOM 501 C GLU A 31 -6.449 -7.396 -15.956 1.00 0.00 C ATOM 502 O GLU A 31 -6.839 -6.283 -15.608 1.00 0.00 O ATOM 503 CB GLU A 31 -6.892 -8.327 -18.266 1.00 0.00 C ATOM 504 CG GLU A 31 -6.437 -8.355 -19.733 1.00 0.00 C ATOM 505 CD GLU A 31 -7.510 -8.977 -20.643 1.00 0.00 C ATOM 506 OE1 GLU A 31 -8.378 -8.238 -21.163 1.00 0.00 O ATOM 507 OE2 GLU A 31 -7.490 -10.209 -20.869 1.00 0.00 O ATOM 0 H GLU A 31 -4.810 -9.364 -16.954 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.656 -6.642 -17.788 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.041 -9.348 -17.914 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.856 -7.822 -18.196 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.218 -7.341 -20.067 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.512 -8.925 -19.817 1.00 0.00 H new ATOM 514 N ARG A 32 -6.476 -8.439 -15.126 1.00 0.00 N ATOM 515 CA ARG A 32 -7.182 -8.420 -13.849 1.00 0.00 C ATOM 516 C ARG A 32 -6.536 -7.514 -12.815 1.00 0.00 C ATOM 517 O ARG A 32 -7.262 -6.959 -11.987 1.00 0.00 O ATOM 518 CB ARG A 32 -7.350 -9.837 -13.305 1.00 0.00 C ATOM 519 CG ARG A 32 -8.501 -10.523 -14.055 1.00 0.00 C ATOM 520 CD ARG A 32 -8.787 -11.926 -13.524 1.00 0.00 C ATOM 521 NE ARG A 32 -9.202 -11.933 -12.108 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.317 -13.022 -11.336 1.00 0.00 C ATOM 523 NH1 ARG A 32 -9.117 -14.239 -11.836 1.00 0.00 N ATOM 524 NH2 ARG A 32 -9.633 -12.886 -10.052 1.00 0.00 N ATOM 0 H ARG A 32 -6.007 -9.323 -15.323 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.166 -7.996 -14.048 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.427 -10.402 -13.433 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.561 -9.808 -12.236 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.401 -9.914 -13.969 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.256 -10.582 -15.116 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.569 -12.385 -14.128 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.894 -12.541 -13.638 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.420 -11.033 -11.681 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.872 -14.352 -12.820 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.208 -15.058 -11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.786 -11.957 -9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.722 -13.711 -9.459 1.00 0.00 H new ATOM 538 N ILE A 33 -5.215 -7.312 -12.852 1.00 0.00 N ATOM 539 CA ILE A 33 -4.557 -6.411 -11.903 1.00 0.00 C ATOM 540 C ILE A 33 -5.170 -5.014 -12.013 1.00 0.00 C ATOM 541 O ILE A 33 -5.343 -4.352 -10.996 1.00 0.00 O ATOM 542 CB ILE A 33 -3.020 -6.398 -12.070 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.301 -5.804 -10.829 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.583 -5.660 -13.345 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.224 -6.806 -9.674 1.00 0.00 C ATOM 0 H ILE A 33 -4.587 -7.756 -13.522 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.733 -6.785 -10.894 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.719 -7.441 -12.165 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.294 -5.495 -11.108 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.829 -4.910 -10.498 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.496 -5.676 -13.420 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.015 -6.152 -14.216 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.928 -4.627 -13.304 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.713 -6.347 -8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.232 -7.096 -9.376 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.672 -7.690 -9.995 1.00 0.00 H new ATOM 557 N ALA A 34 -5.592 -4.601 -13.214 1.00 0.00 N ATOM 558 CA ALA A 34 -6.190 -3.290 -13.421 1.00 0.00 C ATOM 559 C ALA A 34 -7.487 -3.069 -12.629 1.00 0.00 C ATOM 560 O ALA A 34 -7.878 -1.917 -12.431 1.00 0.00 O ATOM 561 CB ALA A 34 -6.432 -3.071 -14.917 1.00 0.00 C ATOM 0 H ALA A 34 -5.526 -5.167 -14.060 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.481 -2.555 -13.039 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.880 -2.090 -15.073 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.483 -3.126 -15.451 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.105 -3.841 -15.293 1.00 0.00 H new ATOM 567 N THR A 35 -8.140 -4.138 -12.164 1.00 0.00 N ATOM 568 CA THR A 35 -9.352 -4.063 -11.352 1.00 0.00 C ATOM 569 C THR A 35 -9.045 -4.468 -9.902 1.00 0.00 C ATOM 570 O THR A 35 -9.653 -3.932 -8.973 1.00 0.00 O ATOM 571 CB THR A 35 -10.438 -4.946 -12.002 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.567 -4.644 -13.383 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.821 -4.760 -11.367 1.00 0.00 C ATOM 0 H THR A 35 -7.834 -5.094 -12.346 1.00 0.00 H new ATOM 0 HA THR A 35 -9.728 -3.040 -11.314 1.00 0.00 H new ATOM 0 HB THR A 35 -10.110 -5.974 -11.846 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.258 -5.214 -13.779 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.541 -5.408 -11.867 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.774 -5.019 -10.309 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.133 -3.721 -11.472 1.00 0.00 H new ATOM 581 N ALA A 36 -8.081 -5.371 -9.689 1.00 0.00 N ATOM 582 CA ALA A 36 -7.714 -5.844 -8.356 1.00 0.00 C ATOM 583 C ALA A 36 -6.883 -4.799 -7.601 1.00 0.00 C ATOM 584 O ALA A 36 -7.013 -4.667 -6.384 1.00 0.00 O ATOM 585 CB ALA A 36 -6.942 -7.166 -8.469 1.00 0.00 C ATOM 0 H ALA A 36 -7.534 -5.793 -10.440 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.629 -6.010 -7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.670 -7.515 -7.473 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.569 -7.913 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.038 -7.010 -9.058 1.00 0.00 H new ATOM 591 N VAL A 37 -6.038 -4.063 -8.324 1.00 0.00 N ATOM 592 CA VAL A 37 -5.059 -3.116 -7.812 1.00 0.00 C ATOM 593 C VAL A 37 -4.971 -1.962 -8.826 1.00 0.00 C ATOM 594 O VAL A 37 -4.036 -1.908 -9.626 1.00 0.00 O ATOM 595 CB VAL A 37 -3.686 -3.797 -7.583 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.797 -2.876 -6.741 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.756 -5.180 -6.918 1.00 0.00 C ATOM 0 H VAL A 37 -6.021 -4.119 -9.342 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.364 -2.732 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.268 -3.964 -8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.830 -3.353 -6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.652 -1.931 -7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.275 -2.688 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.748 -5.578 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.229 -5.090 -5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.341 -5.855 -7.543 1.00 0.00 H new ATOM 607 N PRO A 38 -5.954 -1.046 -8.868 1.00 0.00 N ATOM 608 CA PRO A 38 -5.921 0.061 -9.817 1.00 0.00 C ATOM 609 C PRO A 38 -4.727 0.994 -9.560 1.00 0.00 C ATOM 610 O PRO A 38 -4.175 1.548 -10.515 1.00 0.00 O ATOM 611 CB PRO A 38 -7.273 0.768 -9.672 1.00 0.00 C ATOM 612 CG PRO A 38 -7.742 0.394 -8.265 1.00 0.00 C ATOM 613 CD PRO A 38 -7.155 -1.000 -8.051 1.00 0.00 C ATOM 0 HA PRO A 38 -5.778 -0.286 -10.840 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.172 1.847 -9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.981 0.433 -10.430 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.378 1.101 -7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.830 0.387 -8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.921 -1.170 -7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.862 -1.774 -8.350 1.00 0.00 H new ATOM 621 N ASP A 39 -4.308 1.148 -8.297 1.00 0.00 N ATOM 622 CA ASP A 39 -3.165 1.972 -7.903 1.00 0.00 C ATOM 623 C ASP A 39 -1.863 1.393 -8.461 1.00 0.00 C ATOM 624 O ASP A 39 -1.351 0.382 -7.976 1.00 0.00 O ATOM 625 CB ASP A 39 -3.079 2.105 -6.376 1.00 0.00 C ATOM 626 CG ASP A 39 -1.847 2.915 -5.920 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.206 3.601 -6.749 1.00 0.00 O ATOM 628 OD2 ASP A 39 -1.545 2.895 -4.706 1.00 0.00 O ATOM 0 H ASP A 39 -4.765 0.693 -7.507 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.311 2.967 -8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.984 2.587 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.041 1.111 -5.930 1.00 0.00 H new ATOM 633 N LYS A 40 -1.312 2.058 -9.479 1.00 0.00 N ATOM 634 CA LYS A 40 -0.080 1.647 -10.146 1.00 0.00 C ATOM 635 C LYS A 40 1.123 1.645 -9.202 1.00 0.00 C ATOM 636 O LYS A 40 2.088 0.930 -9.474 1.00 0.00 O ATOM 637 CB LYS A 40 0.178 2.559 -11.360 1.00 0.00 C ATOM 638 CG LYS A 40 -0.930 2.459 -12.423 1.00 0.00 C ATOM 639 CD LYS A 40 -0.927 1.129 -13.196 1.00 0.00 C ATOM 640 CE LYS A 40 -2.250 0.911 -13.946 1.00 0.00 C ATOM 641 NZ LYS A 40 -3.353 0.468 -13.053 1.00 0.00 N ATOM 0 H LYS A 40 -1.717 2.910 -9.867 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.210 0.619 -10.483 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.260 3.592 -11.022 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.134 2.294 -11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.898 2.585 -11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.818 3.281 -13.131 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.100 1.121 -13.906 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.760 0.304 -12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.539 1.839 -14.440 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.101 0.166 -14.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.254 0.499 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.171 -0.505 -12.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.407 1.099 -12.228 1.00 0.00 H new ATOM 655 N ASN A 41 1.079 2.415 -8.110 1.00 0.00 N ATOM 656 CA ASN A 41 2.181 2.556 -7.162 1.00 0.00 C ATOM 657 C ASN A 41 2.001 1.603 -5.971 1.00 0.00 C ATOM 658 O ASN A 41 2.762 1.682 -5.005 1.00 0.00 O ATOM 659 CB ASN A 41 2.289 4.026 -6.708 1.00 0.00 C ATOM 660 CG ASN A 41 3.722 4.457 -6.388 1.00 0.00 C ATOM 661 OD1 ASN A 41 4.265 5.350 -7.033 1.00 0.00 O ATOM 662 ND2 ASN A 41 4.368 3.868 -5.398 1.00 0.00 N ATOM 0 H ASN A 41 0.259 2.967 -7.858 1.00 0.00 H new ATOM 0 HA ASN A 41 3.115 2.281 -7.652 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.889 4.671 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.667 4.173 -5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.319 4.155 -5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.915 3.127 -4.863 1.00 0.00 H new ATOM 669 N ASP A 42 1.002 0.713 -5.984 1.00 0.00 N ATOM 670 CA ASP A 42 0.937 -0.350 -4.985 1.00 0.00 C ATOM 671 C ASP A 42 2.134 -1.273 -5.177 1.00 0.00 C ATOM 672 O ASP A 42 2.543 -1.528 -6.316 1.00 0.00 O ATOM 673 CB ASP A 42 -0.318 -1.197 -5.131 1.00 0.00 C ATOM 674 CG ASP A 42 -0.500 -2.058 -3.881 1.00 0.00 C ATOM 675 OD1 ASP A 42 -1.048 -1.536 -2.885 1.00 0.00 O ATOM 676 OD2 ASP A 42 -0.047 -3.220 -3.893 1.00 0.00 O ATOM 0 H ASP A 42 0.242 0.709 -6.664 1.00 0.00 H new ATOM 0 HA ASP A 42 0.932 0.121 -4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.188 -0.556 -5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.241 -1.831 -6.014 1.00 0.00 H new ATOM 681 N THR A 43 2.677 -1.803 -4.086 1.00 0.00 N ATOM 682 CA THR A 43 3.708 -2.814 -4.156 1.00 0.00 C ATOM 683 C THR A 43 3.093 -4.162 -4.548 1.00 0.00 C ATOM 684 O THR A 43 2.834 -5.017 -3.700 1.00 0.00 O ATOM 685 CB THR A 43 4.542 -2.858 -2.874 1.00 0.00 C ATOM 686 OG1 THR A 43 4.936 -1.553 -2.495 1.00 0.00 O ATOM 687 CG2 THR A 43 5.775 -3.712 -3.143 1.00 0.00 C ATOM 0 H THR A 43 2.412 -1.541 -3.137 1.00 0.00 H new ATOM 0 HA THR A 43 4.417 -2.554 -4.942 1.00 0.00 H new ATOM 0 HB THR A 43 3.952 -3.283 -2.062 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.428 -1.133 -3.231 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.388 -3.760 -2.243 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.466 -4.718 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.354 -3.270 -3.953 1.00 0.00 H new ATOM 695 N VAL A 44 2.856 -4.350 -5.843 1.00 0.00 N ATOM 696 CA VAL A 44 2.421 -5.620 -6.403 1.00 0.00 C ATOM 697 C VAL A 44 3.627 -6.562 -6.356 1.00 0.00 C ATOM 698 O VAL A 44 4.481 -6.546 -7.249 1.00 0.00 O ATOM 699 CB VAL A 44 1.841 -5.434 -7.823 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.256 -6.756 -8.338 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.712 -4.390 -7.846 1.00 0.00 C ATOM 0 H VAL A 44 2.963 -3.613 -6.540 1.00 0.00 H new ATOM 0 HA VAL A 44 1.605 -6.054 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 44 2.663 -5.097 -8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.851 -6.609 -9.339 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.040 -7.513 -8.371 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.461 -7.087 -7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.331 -4.288 -8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.094 -4.711 -7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.098 -3.429 -7.506 1.00 0.00 H new ATOM 711 N LYS A 45 3.734 -7.348 -5.283 1.00 0.00 N ATOM 712 CA LYS A 45 4.686 -8.445 -5.214 1.00 0.00 C ATOM 713 C LYS A 45 4.168 -9.525 -6.154 1.00 0.00 C ATOM 714 O LYS A 45 2.962 -9.794 -6.167 1.00 0.00 O ATOM 715 CB LYS A 45 4.808 -9.013 -3.791 1.00 0.00 C ATOM 716 CG LYS A 45 5.154 -7.980 -2.709 1.00 0.00 C ATOM 717 CD LYS A 45 6.566 -8.171 -2.142 1.00 0.00 C ATOM 718 CE LYS A 45 6.722 -7.308 -0.884 1.00 0.00 C ATOM 719 NZ LYS A 45 8.082 -7.399 -0.305 1.00 0.00 N ATOM 0 H LYS A 45 3.164 -7.239 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 45 5.678 -8.093 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.866 -9.494 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.574 -9.789 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.067 -6.977 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.428 -8.051 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.736 -9.220 -1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.311 -7.890 -2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.503 -6.269 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.991 -7.621 -0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.176 -6.712 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.239 -8.359 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.787 -7.190 -1.040 1.00 0.00 H new ATOM 733 N VAL A 46 5.061 -10.191 -6.875 1.00 0.00 N ATOM 734 CA VAL A 46 4.700 -11.290 -7.766 1.00 0.00 C ATOM 735 C VAL A 46 5.589 -12.492 -7.460 1.00 0.00 C ATOM 736 O VAL A 46 6.790 -12.324 -7.221 1.00 0.00 O ATOM 737 CB VAL A 46 4.744 -10.844 -9.245 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.621 -9.844 -9.556 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.081 -10.212 -9.667 1.00 0.00 C ATOM 0 H VAL A 46 6.060 -9.985 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 46 3.668 -11.595 -7.590 1.00 0.00 H new ATOM 0 HB VAL A 46 4.614 -11.764 -9.816 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.677 -9.548 -10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.655 -10.310 -9.362 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.733 -8.963 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.033 -9.926 -10.718 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.274 -9.328 -9.059 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.886 -10.933 -9.524 1.00 0.00 H new ATOM 749 N TYR A 47 5.008 -13.696 -7.465 1.00 0.00 N ATOM 750 CA TYR A 47 5.716 -14.950 -7.224 1.00 0.00 C ATOM 751 C TYR A 47 5.086 -16.095 -8.028 1.00 0.00 C ATOM 752 O TYR A 47 3.981 -15.954 -8.556 1.00 0.00 O ATOM 753 CB TYR A 47 5.767 -15.270 -5.722 1.00 0.00 C ATOM 754 CG TYR A 47 4.507 -15.800 -5.070 1.00 0.00 C ATOM 755 CD1 TYR A 47 4.230 -17.180 -5.098 1.00 0.00 C ATOM 756 CD2 TYR A 47 3.663 -14.930 -4.354 1.00 0.00 C ATOM 757 CE1 TYR A 47 3.109 -17.690 -4.427 1.00 0.00 C ATOM 758 CE2 TYR A 47 2.565 -15.442 -3.640 1.00 0.00 C ATOM 759 CZ TYR A 47 2.286 -16.826 -3.675 1.00 0.00 C ATOM 760 OH TYR A 47 1.218 -17.327 -2.994 1.00 0.00 O ATOM 0 H TYR A 47 4.012 -13.825 -7.641 1.00 0.00 H new ATOM 0 HA TYR A 47 6.744 -14.836 -7.568 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.560 -16.001 -5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.060 -14.362 -5.196 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.883 -17.849 -5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.859 -13.868 -4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.876 -18.743 -4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.936 -14.778 -3.066 1.00 0.00 H new ATOM 0 HH TYR A 47 1.020 -18.232 -3.315 1.00 0.00 H new ATOM 770 N CYS A 48 5.807 -17.213 -8.133 1.00 0.00 N ATOM 771 CA CYS A 48 5.401 -18.481 -8.722 1.00 0.00 C ATOM 772 C CYS A 48 6.288 -19.562 -8.078 1.00 0.00 C ATOM 773 O CYS A 48 6.962 -19.298 -7.081 1.00 0.00 O ATOM 774 CB CYS A 48 5.473 -18.356 -10.267 1.00 0.00 C ATOM 775 SG CYS A 48 5.283 -19.866 -11.263 1.00 0.00 S ATOM 0 H CYS A 48 6.763 -17.253 -7.780 1.00 0.00 H new ATOM 0 HA CYS A 48 4.368 -18.767 -8.524 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.702 -17.652 -10.580 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.435 -17.909 -10.520 1.00 0.00 H new ATOM 0 HG CYS A 48 4.946 -19.546 -12.477 1.00 0.00 H new ATOM 781 N ASN A 49 6.272 -20.790 -8.599 1.00 0.00 N ATOM 782 CA ASN A 49 7.066 -21.917 -8.108 1.00 0.00 C ATOM 783 C ASN A 49 8.561 -21.588 -8.190 1.00 0.00 C ATOM 784 O ASN A 49 9.317 -21.885 -7.265 1.00 0.00 O ATOM 785 CB ASN A 49 6.730 -23.164 -8.946 1.00 0.00 C ATOM 786 CG ASN A 49 7.336 -24.442 -8.368 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.548 -24.627 -8.343 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.504 -25.363 -7.912 1.00 0.00 N ATOM 0 H ASN A 49 5.688 -21.035 -9.399 1.00 0.00 H new ATOM 0 HA ASN A 49 6.826 -22.113 -7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.647 -23.275 -9.007 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.094 -23.022 -9.964 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.869 -26.238 -7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.498 -25.199 -7.938 1.00 0.00 H new ATOM 795 N ALA A 50 8.959 -20.899 -9.264 1.00 0.00 N ATOM 796 CA ALA A 50 10.310 -20.428 -9.525 1.00 0.00 C ATOM 797 C ALA A 50 10.229 -18.994 -10.058 1.00 0.00 C ATOM 798 O ALA A 50 9.164 -18.540 -10.486 1.00 0.00 O ATOM 799 CB ALA A 50 10.989 -21.363 -10.534 1.00 0.00 C ATOM 0 H ALA A 50 8.310 -20.645 -10.009 1.00 0.00 H new ATOM 0 HA ALA A 50 10.906 -20.431 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.002 -21.012 -10.731 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.028 -22.373 -10.125 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.420 -21.370 -11.464 1.00 0.00 H new ATOM 805 N GLY A 51 11.366 -18.295 -10.058 1.00 0.00 N ATOM 806 CA GLY A 51 11.441 -16.871 -10.366 1.00 0.00 C ATOM 807 C GLY A 51 11.198 -16.522 -11.837 1.00 0.00 C ATOM 808 O GLY A 51 11.089 -15.341 -12.158 1.00 0.00 O ATOM 0 H GLY A 51 12.272 -18.711 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.709 -16.342 -9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.425 -16.502 -10.077 1.00 0.00 H new ATOM 812 N ARG A 52 11.133 -17.502 -12.748 1.00 0.00 N ATOM 813 CA ARG A 52 10.975 -17.251 -14.184 1.00 0.00 C ATOM 814 C ARG A 52 9.678 -16.496 -14.470 1.00 0.00 C ATOM 815 O ARG A 52 9.710 -15.396 -15.023 1.00 0.00 O ATOM 816 CB ARG A 52 11.058 -18.587 -14.951 1.00 0.00 C ATOM 817 CG ARG A 52 10.791 -18.433 -16.460 1.00 0.00 C ATOM 818 CD ARG A 52 11.091 -19.722 -17.237 1.00 0.00 C ATOM 819 NE ARG A 52 10.167 -20.820 -16.890 1.00 0.00 N ATOM 820 CZ ARG A 52 10.334 -22.110 -17.213 1.00 0.00 C ATOM 821 NH1 ARG A 52 11.401 -22.504 -17.905 1.00 0.00 N ATOM 822 NH2 ARG A 52 9.425 -23.006 -16.841 1.00 0.00 N ATOM 0 H ARG A 52 11.189 -18.492 -12.508 1.00 0.00 H new ATOM 0 HA ARG A 52 11.786 -16.611 -14.532 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.047 -19.022 -14.805 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.336 -19.287 -14.530 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.750 -18.151 -16.616 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.403 -17.622 -16.855 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.026 -19.521 -18.306 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.115 -20.035 -17.033 1.00 0.00 H new ATOM 0 HE ARG A 52 9.331 -20.576 -16.359 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.101 -21.822 -18.195 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.518 -23.488 -18.145 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.604 -22.711 -16.312 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.548 -23.989 -17.085 1.00 0.00 H new ATOM 836 N GLN A 53 8.534 -17.078 -14.102 1.00 0.00 N ATOM 837 CA GLN A 53 7.239 -16.536 -14.503 1.00 0.00 C ATOM 838 C GLN A 53 6.928 -15.266 -13.711 1.00 0.00 C ATOM 839 O GLN A 53 6.338 -14.339 -14.262 1.00 0.00 O ATOM 840 CB GLN A 53 6.164 -17.623 -14.354 1.00 0.00 C ATOM 841 CG GLN A 53 4.831 -17.302 -15.043 1.00 0.00 C ATOM 842 CD GLN A 53 3.964 -18.551 -15.247 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.344 -19.473 -15.965 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.784 -18.629 -14.651 1.00 0.00 N ATOM 0 H GLN A 53 8.481 -17.921 -13.530 1.00 0.00 H new ATOM 0 HA GLN A 53 7.258 -16.243 -15.553 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.552 -18.557 -14.760 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.979 -17.789 -13.293 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.282 -16.575 -14.445 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.027 -16.837 -16.009 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.463 -17.867 -14.054 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.196 -19.451 -14.789 1.00 0.00 H new ATOM 853 N SER A 54 7.365 -15.170 -12.452 1.00 0.00 N ATOM 854 CA SER A 54 7.220 -13.943 -11.683 1.00 0.00 C ATOM 855 C SER A 54 8.163 -12.851 -12.198 1.00 0.00 C ATOM 856 O SER A 54 7.841 -11.669 -12.090 1.00 0.00 O ATOM 857 CB SER A 54 7.429 -14.257 -10.202 1.00 0.00 C ATOM 858 OG SER A 54 8.691 -14.856 -9.978 1.00 0.00 O ATOM 0 H SER A 54 7.821 -15.931 -11.949 1.00 0.00 H new ATOM 0 HA SER A 54 6.212 -13.546 -11.807 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.351 -13.340 -9.619 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.640 -14.924 -9.854 1.00 0.00 H new ATOM 0 HG SER A 54 8.746 -15.167 -9.050 1.00 0.00 H new ATOM 864 N GLY A 55 9.322 -13.209 -12.756 1.00 0.00 N ATOM 865 CA GLY A 55 10.254 -12.265 -13.354 1.00 0.00 C ATOM 866 C GLY A 55 9.639 -11.659 -14.604 1.00 0.00 C ATOM 867 O GLY A 55 9.606 -10.438 -14.753 1.00 0.00 O ATOM 0 H GLY A 55 9.639 -14.177 -12.803 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.498 -11.479 -12.640 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.187 -12.770 -13.604 1.00 0.00 H new ATOM 871 N GLN A 56 9.064 -12.504 -15.463 1.00 0.00 N ATOM 872 CA GLN A 56 8.280 -12.036 -16.595 1.00 0.00 C ATOM 873 C GLN A 56 7.120 -11.169 -16.109 1.00 0.00 C ATOM 874 O GLN A 56 6.931 -10.085 -16.653 1.00 0.00 O ATOM 875 CB GLN A 56 7.806 -13.226 -17.443 1.00 0.00 C ATOM 876 CG GLN A 56 8.951 -13.889 -18.228 1.00 0.00 C ATOM 877 CD GLN A 56 9.523 -12.965 -19.309 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.016 -12.904 -20.427 1.00 0.00 O ATOM 879 NE2 GLN A 56 10.572 -12.213 -19.008 1.00 0.00 N ATOM 0 H GLN A 56 9.131 -13.519 -15.390 1.00 0.00 H new ATOM 0 HA GLN A 56 8.903 -11.413 -17.237 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.340 -13.967 -16.794 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.041 -12.887 -18.141 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.745 -14.173 -17.538 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.588 -14.806 -18.691 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.989 -12.268 -18.079 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.962 -11.580 -19.706 1.00 0.00 H new ATOM 888 N ALA A 57 6.398 -11.569 -15.057 1.00 0.00 N ATOM 889 CA ALA A 57 5.322 -10.756 -14.504 1.00 0.00 C ATOM 890 C ALA A 57 5.819 -9.383 -14.050 1.00 0.00 C ATOM 891 O ALA A 57 5.154 -8.390 -14.339 1.00 0.00 O ATOM 892 CB ALA A 57 4.628 -11.480 -13.353 1.00 0.00 C ATOM 0 H ALA A 57 6.544 -12.455 -14.573 1.00 0.00 H new ATOM 0 HA ALA A 57 4.598 -10.596 -15.303 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.829 -10.853 -12.957 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.207 -12.418 -13.714 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.351 -11.687 -12.564 1.00 0.00 H new ATOM 898 N LYS A 58 6.982 -9.298 -13.386 1.00 0.00 N ATOM 899 CA LYS A 58 7.543 -8.013 -12.972 1.00 0.00 C ATOM 900 C LYS A 58 7.676 -7.097 -14.195 1.00 0.00 C ATOM 901 O LYS A 58 7.275 -5.932 -14.146 1.00 0.00 O ATOM 902 CB LYS A 58 8.878 -8.178 -12.213 1.00 0.00 C ATOM 903 CG LYS A 58 9.641 -6.841 -12.159 1.00 0.00 C ATOM 904 CD LYS A 58 10.757 -6.763 -11.114 1.00 0.00 C ATOM 905 CE LYS A 58 11.645 -5.528 -11.341 1.00 0.00 C ATOM 906 NZ LYS A 58 12.552 -5.669 -12.511 1.00 0.00 N ATOM 0 H LYS A 58 7.548 -10.106 -13.127 1.00 0.00 H new ATOM 0 HA LYS A 58 6.860 -7.545 -12.263 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.685 -8.534 -11.201 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.491 -8.933 -12.705 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.072 -6.648 -13.141 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.926 -6.042 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.322 -6.723 -10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.366 -7.666 -11.160 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.011 -4.653 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.241 -5.347 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.171 -4.836 -12.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.133 -6.525 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.987 -5.745 -13.381 1.00 0.00 H new ATOM 920 N GLU A 59 8.246 -7.616 -15.282 1.00 0.00 N ATOM 921 CA GLU A 59 8.576 -6.817 -16.456 1.00 0.00 C ATOM 922 C GLU A 59 7.304 -6.458 -17.222 1.00 0.00 C ATOM 923 O GLU A 59 7.154 -5.326 -17.675 1.00 0.00 O ATOM 924 CB GLU A 59 9.574 -7.572 -17.349 1.00 0.00 C ATOM 925 CG GLU A 59 10.952 -7.763 -16.690 1.00 0.00 C ATOM 926 CD GLU A 59 11.640 -6.433 -16.332 1.00 0.00 C ATOM 927 OE1 GLU A 59 12.116 -5.725 -17.249 1.00 0.00 O ATOM 928 OE2 GLU A 59 11.736 -6.104 -15.127 1.00 0.00 O ATOM 0 H GLU A 59 8.491 -8.602 -15.371 1.00 0.00 H new ATOM 0 HA GLU A 59 9.049 -5.889 -16.136 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.160 -8.548 -17.601 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.698 -7.028 -18.285 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.836 -8.360 -15.785 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.595 -8.328 -17.364 1.00 0.00 H new ATOM 935 N ILE A 60 6.364 -7.397 -17.323 1.00 0.00 N ATOM 936 CA ILE A 60 5.063 -7.200 -17.942 1.00 0.00 C ATOM 937 C ILE A 60 4.329 -6.069 -17.216 1.00 0.00 C ATOM 938 O ILE A 60 3.866 -5.130 -17.863 1.00 0.00 O ATOM 939 CB ILE A 60 4.316 -8.558 -17.936 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.887 -9.463 -19.055 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.796 -8.413 -18.087 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.481 -10.938 -18.940 1.00 0.00 C ATOM 0 H ILE A 60 6.495 -8.343 -16.964 1.00 0.00 H new ATOM 0 HA ILE A 60 5.140 -6.885 -18.983 1.00 0.00 H new ATOM 0 HB ILE A 60 4.481 -9.015 -16.960 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.555 -9.081 -20.020 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.975 -9.395 -19.042 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.333 -9.400 -18.075 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.404 -7.818 -17.262 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.570 -7.918 -19.031 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.922 -11.502 -19.762 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.836 -11.340 -17.991 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.395 -11.021 -18.985 1.00 0.00 H new ATOM 954 N LEU A 61 4.243 -6.121 -15.884 1.00 0.00 N ATOM 955 CA LEU A 61 3.469 -5.142 -15.133 1.00 0.00 C ATOM 956 C LEU A 61 4.134 -3.766 -15.169 1.00 0.00 C ATOM 957 O LEU A 61 3.430 -2.757 -15.252 1.00 0.00 O ATOM 958 CB LEU A 61 3.248 -5.613 -13.686 1.00 0.00 C ATOM 959 CG LEU A 61 2.308 -6.826 -13.522 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.025 -7.043 -12.032 1.00 0.00 C ATOM 961 CD2 LEU A 61 0.985 -6.674 -14.278 1.00 0.00 C ATOM 0 H LEU A 61 4.700 -6.830 -15.310 1.00 0.00 H new ATOM 0 HA LEU A 61 2.493 -5.049 -15.610 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.216 -5.863 -13.251 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.845 -4.781 -13.109 1.00 0.00 H new ATOM 0 HG LEU A 61 2.817 -7.688 -13.954 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.361 -7.899 -11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.962 -7.232 -11.507 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.550 -6.153 -11.618 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.372 -7.561 -14.120 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.454 -5.796 -13.910 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.186 -6.557 -15.343 1.00 0.00 H new ATOM 973 N SER A 62 5.467 -3.689 -15.143 1.00 0.00 N ATOM 974 CA SER A 62 6.146 -2.401 -15.247 1.00 0.00 C ATOM 975 C SER A 62 6.021 -1.817 -16.660 1.00 0.00 C ATOM 976 O SER A 62 5.862 -0.604 -16.797 1.00 0.00 O ATOM 977 CB SER A 62 7.597 -2.482 -14.758 1.00 0.00 C ATOM 978 OG SER A 62 8.267 -3.653 -15.182 1.00 0.00 O ATOM 0 H SER A 62 6.088 -4.493 -15.052 1.00 0.00 H new ATOM 0 HA SER A 62 5.643 -1.703 -14.578 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.143 -1.610 -15.117 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.609 -2.440 -13.669 1.00 0.00 H new ATOM 0 HG SER A 62 8.022 -4.400 -14.597 1.00 0.00 H new ATOM 984 N GLU A 63 6.019 -2.652 -17.707 1.00 0.00 N ATOM 985 CA GLU A 63 5.771 -2.217 -19.078 1.00 0.00 C ATOM 986 C GLU A 63 4.330 -1.703 -19.217 1.00 0.00 C ATOM 987 O GLU A 63 4.102 -0.680 -19.867 1.00 0.00 O ATOM 988 CB GLU A 63 6.063 -3.379 -20.046 1.00 0.00 C ATOM 989 CG GLU A 63 6.006 -2.992 -21.531 1.00 0.00 C ATOM 990 CD GLU A 63 7.145 -2.037 -21.938 1.00 0.00 C ATOM 991 OE1 GLU A 63 8.259 -2.512 -22.255 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.934 -0.804 -21.971 1.00 0.00 O ATOM 0 H GLU A 63 6.191 -3.654 -17.621 1.00 0.00 H new ATOM 0 HA GLU A 63 6.436 -1.392 -19.331 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.052 -3.781 -19.825 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.345 -4.179 -19.863 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.058 -3.894 -22.140 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.047 -2.519 -21.743 1.00 0.00 H new ATOM 999 N MET A 64 3.361 -2.369 -18.572 1.00 0.00 N ATOM 1000 CA MET A 64 1.972 -1.908 -18.522 1.00 0.00 C ATOM 1001 C MET A 64 1.876 -0.542 -17.836 1.00 0.00 C ATOM 1002 O MET A 64 1.112 0.312 -18.290 1.00 0.00 O ATOM 1003 CB MET A 64 1.085 -2.919 -17.784 1.00 0.00 C ATOM 1004 CG MET A 64 0.785 -4.167 -18.615 1.00 0.00 C ATOM 1005 SD MET A 64 0.153 -5.567 -17.651 1.00 0.00 S ATOM 1006 CE MET A 64 -1.233 -4.810 -16.758 1.00 0.00 C ATOM 0 H MET A 64 3.522 -3.243 -18.071 1.00 0.00 H new ATOM 0 HA MET A 64 1.619 -1.814 -19.549 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.575 -3.216 -16.857 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.146 -2.438 -17.509 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.056 -3.911 -19.384 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.696 -4.475 -19.129 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.798 -5.584 -16.239 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.850 -4.092 -16.033 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.885 -4.298 -17.465 1.00 0.00 H new ATOM 1016 N GLY A 65 2.655 -0.324 -16.771 1.00 0.00 N ATOM 1017 CA GLY A 65 2.829 0.986 -16.153 1.00 0.00 C ATOM 1018 C GLY A 65 2.834 0.966 -14.626 1.00 0.00 C ATOM 1019 O GLY A 65 2.802 2.041 -14.029 1.00 0.00 O ATOM 0 H GLY A 65 3.187 -1.064 -16.312 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.767 1.417 -16.502 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.030 1.644 -16.493 1.00 0.00 H new ATOM 1023 N TYR A 66 2.830 -0.202 -13.973 1.00 0.00 N ATOM 1024 CA TYR A 66 2.937 -0.275 -12.518 1.00 0.00 C ATOM 1025 C TYR A 66 4.323 0.223 -12.110 1.00 0.00 C ATOM 1026 O TYR A 66 5.338 -0.231 -12.640 1.00 0.00 O ATOM 1027 CB TYR A 66 2.646 -1.696 -12.012 1.00 0.00 C ATOM 1028 CG TYR A 66 1.165 -2.031 -11.999 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.484 -2.290 -13.206 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.451 -2.006 -10.785 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.914 -2.437 -13.209 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -0.944 -2.181 -10.779 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.635 -2.352 -11.997 1.00 0.00 C ATOM 1034 OH TYR A 66 -2.995 -2.353 -12.029 1.00 0.00 O ATOM 0 H TYR A 66 2.754 -1.109 -14.434 1.00 0.00 H new ATOM 0 HA TYR A 66 2.187 0.364 -12.053 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.170 -2.414 -12.643 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.046 -1.806 -11.004 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.037 -2.376 -14.130 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.977 -1.852 -9.855 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.437 -2.615 -14.137 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.485 -2.185 -9.844 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.343 -2.038 -11.168 1.00 0.00 H new ATOM 1044 N THR A 67 4.368 1.167 -11.175 1.00 0.00 N ATOM 1045 CA THR A 67 5.563 1.917 -10.814 1.00 0.00 C ATOM 1046 C THR A 67 6.272 1.321 -9.593 1.00 0.00 C ATOM 1047 O THR A 67 7.371 1.766 -9.254 1.00 0.00 O ATOM 1048 CB THR A 67 5.157 3.386 -10.581 1.00 0.00 C ATOM 1049 OG1 THR A 67 4.015 3.457 -9.747 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.796 4.078 -11.899 1.00 0.00 C ATOM 0 H THR A 67 3.548 1.438 -10.632 1.00 0.00 H new ATOM 0 HA THR A 67 6.286 1.860 -11.628 1.00 0.00 H new ATOM 0 HB THR A 67 6.011 3.880 -10.118 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.182 4.088 -9.016 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.514 5.112 -11.702 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.656 4.058 -12.568 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.960 3.557 -12.366 1.00 0.00 H new ATOM 1058 N HIS A 68 5.677 0.314 -8.938 1.00 0.00 N ATOM 1059 CA HIS A 68 6.186 -0.237 -7.684 1.00 0.00 C ATOM 1060 C HIS A 68 6.100 -1.767 -7.660 1.00 0.00 C ATOM 1061 O HIS A 68 5.927 -2.377 -6.607 1.00 0.00 O ATOM 1062 CB HIS A 68 5.475 0.455 -6.503 1.00 0.00 C ATOM 1063 CG HIS A 68 6.403 0.826 -5.378 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.490 0.242 -4.133 1.00 0.00 N ATOM 1065 CD2 HIS A 68 7.286 1.871 -5.397 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.411 0.914 -3.425 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.932 1.921 -4.154 1.00 0.00 N ATOM 0 H HIS A 68 4.826 -0.140 -9.269 1.00 0.00 H new ATOM 0 HA HIS A 68 7.251 -0.025 -7.589 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.978 1.355 -6.865 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.698 -0.206 -6.119 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.456 2.542 -6.226 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.696 0.680 -2.410 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.650 2.584 -3.861 1.00 0.00 H new ATOM 1075 N VAL A 69 6.217 -2.399 -8.830 1.00 0.00 N ATOM 1076 CA VAL A 69 6.326 -3.847 -8.943 1.00 0.00 C ATOM 1077 C VAL A 69 7.492 -4.341 -8.078 1.00 0.00 C ATOM 1078 O VAL A 69 8.497 -3.635 -7.925 1.00 0.00 O ATOM 1079 CB VAL A 69 6.508 -4.245 -10.422 1.00 0.00 C ATOM 1080 CG1 VAL A 69 5.327 -3.776 -11.280 1.00 0.00 C ATOM 1081 CG2 VAL A 69 7.809 -3.724 -11.056 1.00 0.00 C ATOM 0 H VAL A 69 6.238 -1.914 -9.727 1.00 0.00 H new ATOM 0 HA VAL A 69 5.412 -4.318 -8.582 1.00 0.00 H new ATOM 0 HB VAL A 69 6.559 -5.334 -10.406 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.489 -4.074 -12.316 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.407 -4.230 -10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.244 -2.691 -11.223 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.862 -4.046 -12.096 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.824 -2.635 -11.013 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.664 -4.121 -10.509 1.00 0.00 H new ATOM 1091 N GLU A 70 7.403 -5.564 -7.556 1.00 0.00 N ATOM 1092 CA GLU A 70 8.518 -6.183 -6.860 1.00 0.00 C ATOM 1093 C GLU A 70 8.495 -7.678 -7.159 1.00 0.00 C ATOM 1094 O GLU A 70 7.496 -8.358 -6.917 1.00 0.00 O ATOM 1095 CB GLU A 70 8.444 -5.855 -5.359 1.00 0.00 C ATOM 1096 CG GLU A 70 9.731 -6.303 -4.655 1.00 0.00 C ATOM 1097 CD GLU A 70 9.911 -5.652 -3.275 1.00 0.00 C ATOM 1098 OE1 GLU A 70 10.320 -4.471 -3.198 1.00 0.00 O ATOM 1099 OE2 GLU A 70 9.686 -6.337 -2.253 1.00 0.00 O ATOM 0 H GLU A 70 6.565 -6.143 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 70 9.474 -5.790 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.299 -4.784 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.584 -6.354 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.720 -7.387 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.588 -6.057 -5.282 1.00 0.00 H new ATOM 1106 N ASN A 71 9.585 -8.197 -7.725 1.00 0.00 N ATOM 1107 CA ASN A 71 9.712 -9.628 -7.938 1.00 0.00 C ATOM 1108 C ASN A 71 10.073 -10.268 -6.603 1.00 0.00 C ATOM 1109 O ASN A 71 11.165 -10.016 -6.087 1.00 0.00 O ATOM 1110 CB ASN A 71 10.780 -9.951 -8.987 1.00 0.00 C ATOM 1111 CG ASN A 71 10.793 -11.455 -9.187 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.670 -12.166 -8.709 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.766 -11.963 -9.841 1.00 0.00 N ATOM 0 H ASN A 71 10.384 -7.647 -8.040 1.00 0.00 H new ATOM 0 HA ASN A 71 8.768 -10.023 -8.314 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.560 -9.443 -9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.758 -9.601 -8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.686 -12.973 -9.960 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.052 -11.346 -10.228 1.00 0.00 H new ATOM 1120 N ALA A 72 9.163 -11.055 -6.025 1.00 0.00 N ATOM 1121 CA ALA A 72 9.427 -11.685 -4.741 1.00 0.00 C ATOM 1122 C ALA A 72 10.384 -12.870 -4.910 1.00 0.00 C ATOM 1123 O ALA A 72 11.287 -13.036 -4.088 1.00 0.00 O ATOM 1124 CB ALA A 72 8.115 -12.110 -4.083 1.00 0.00 C ATOM 0 H ALA A 72 8.249 -11.266 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 72 9.912 -10.963 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.325 -12.580 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.485 -11.234 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.597 -12.819 -4.729 1.00 0.00 H new ATOM 1130 N GLY A 73 10.212 -13.670 -5.970 1.00 0.00 N ATOM 1131 CA GLY A 73 11.072 -14.805 -6.281 1.00 0.00 C ATOM 1132 C GLY A 73 10.238 -16.039 -6.600 1.00 0.00 C ATOM 1133 O GLY A 73 9.130 -15.926 -7.137 1.00 0.00 O ATOM 0 H GLY A 73 9.457 -13.539 -6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.711 -14.562 -7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.729 -15.012 -5.436 1.00 0.00 H new ATOM 1137 N GLY A 74 10.779 -17.209 -6.251 1.00 0.00 N ATOM 1138 CA GLY A 74 10.066 -18.477 -6.267 1.00 0.00 C ATOM 1139 C GLY A 74 9.642 -18.828 -4.844 1.00 0.00 C ATOM 1140 O GLY A 74 10.344 -18.501 -3.886 1.00 0.00 O ATOM 0 H GLY A 74 11.747 -17.297 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.192 -18.409 -6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.703 -19.262 -6.674 1.00 0.00 H new ATOM 1144 N LEU A 75 8.507 -19.507 -4.688 1.00 0.00 N ATOM 1145 CA LEU A 75 7.830 -19.721 -3.407 1.00 0.00 C ATOM 1146 C LEU A 75 8.687 -20.411 -2.336 1.00 0.00 C ATOM 1147 O LEU A 75 8.475 -20.186 -1.140 1.00 0.00 O ATOM 1148 CB LEU A 75 6.529 -20.498 -3.692 1.00 0.00 C ATOM 1149 CG LEU A 75 5.577 -20.668 -2.495 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.197 -19.330 -1.853 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.304 -21.372 -2.974 1.00 0.00 C ATOM 0 H LEU A 75 8.017 -19.937 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 75 7.617 -18.746 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.991 -19.988 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.793 -21.487 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 75 6.095 -21.258 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.524 -19.507 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.097 -18.829 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.699 -18.701 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.620 -21.499 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.824 -20.770 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.561 -22.349 -3.383 1.00 0.00 H new ATOM 1163 N LYS A 76 9.655 -21.242 -2.731 1.00 0.00 N ATOM 1164 CA LYS A 76 10.556 -21.905 -1.786 1.00 0.00 C ATOM 1165 C LYS A 76 11.719 -21.003 -1.370 1.00 0.00 C ATOM 1166 O LYS A 76 12.228 -21.161 -0.262 1.00 0.00 O ATOM 1167 CB LYS A 76 11.073 -23.228 -2.381 1.00 0.00 C ATOM 1168 CG LYS A 76 9.968 -24.259 -2.683 1.00 0.00 C ATOM 1169 CD LYS A 76 9.111 -24.598 -1.452 1.00 0.00 C ATOM 1170 CE LYS A 76 8.156 -25.759 -1.750 1.00 0.00 C ATOM 1171 NZ LYS A 76 7.316 -26.089 -0.574 1.00 0.00 N ATOM 0 H LYS A 76 9.835 -21.473 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 76 9.985 -22.123 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.615 -23.012 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.788 -23.671 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.324 -23.872 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.425 -25.172 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.758 -24.861 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.539 -23.721 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.516 -25.498 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.730 -26.637 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.414 -26.496 -0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.813 -26.778 0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.130 -25.225 -0.026 1.00 0.00 H new ATOM 1185 N ASP A 77 12.128 -20.052 -2.213 1.00 0.00 N ATOM 1186 CA ASP A 77 13.148 -19.063 -1.855 1.00 0.00 C ATOM 1187 C ASP A 77 12.544 -17.964 -0.977 1.00 0.00 C ATOM 1188 O ASP A 77 13.198 -17.481 -0.053 1.00 0.00 O ATOM 1189 CB ASP A 77 13.754 -18.441 -3.118 1.00 0.00 C ATOM 1190 CG ASP A 77 14.805 -17.379 -2.754 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.915 -17.749 -2.310 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.540 -16.170 -2.941 1.00 0.00 O ATOM 0 H ASP A 77 11.763 -19.946 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 77 13.934 -19.570 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.213 -19.219 -3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.966 -17.988 -3.720 1.00 0.00 H new ATOM 1197 N ILE A 78 11.284 -17.597 -1.243 1.00 0.00 N ATOM 1198 CA ILE A 78 10.541 -16.571 -0.510 1.00 0.00 C ATOM 1199 C ILE A 78 10.441 -16.945 0.975 1.00 0.00 C ATOM 1200 O ILE A 78 10.697 -16.103 1.836 1.00 0.00 O ATOM 1201 CB ILE A 78 9.168 -16.364 -1.203 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.389 -15.634 -2.545 1.00 0.00 C ATOM 1203 CG2 ILE A 78 8.160 -15.579 -0.347 1.00 0.00 C ATOM 1204 CD1 ILE A 78 8.154 -15.600 -3.444 1.00 0.00 C ATOM 0 H ILE A 78 10.740 -18.019 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 78 11.063 -15.614 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 78 8.735 -17.352 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.707 -14.611 -2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.203 -16.120 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.223 -15.472 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.977 -16.116 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.564 -14.592 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.390 -15.070 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.847 -16.619 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.343 -15.086 -2.928 1.00 0.00 H new ATOM 1216 N ALA A 79 10.107 -18.211 1.258 1.00 0.00 N ATOM 1217 CA ALA A 79 9.986 -18.797 2.598 1.00 0.00 C ATOM 1218 C ALA A 79 9.191 -17.937 3.605 1.00 0.00 C ATOM 1219 O ALA A 79 9.473 -17.946 4.806 1.00 0.00 O ATOM 1220 CB ALA A 79 11.379 -19.206 3.102 1.00 0.00 C ATOM 0 H ALA A 79 9.904 -18.887 0.522 1.00 0.00 H new ATOM 0 HA ALA A 79 9.371 -19.692 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.292 -19.642 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.811 -19.939 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.023 -18.327 3.145 1.00 0.00 H new ATOM 1226 N MET A 80 8.193 -17.195 3.117 1.00 0.00 N ATOM 1227 CA MET A 80 7.208 -16.502 3.953 1.00 0.00 C ATOM 1228 C MET A 80 6.260 -17.540 4.579 1.00 0.00 C ATOM 1229 O MET A 80 6.185 -18.659 4.066 1.00 0.00 O ATOM 1230 CB MET A 80 6.419 -15.495 3.096 1.00 0.00 C ATOM 1231 CG MET A 80 7.237 -14.240 2.764 1.00 0.00 C ATOM 1232 SD MET A 80 7.522 -13.105 4.154 1.00 0.00 S ATOM 1233 CE MET A 80 5.881 -12.342 4.294 1.00 0.00 C ATOM 0 H MET A 80 8.044 -17.057 2.117 1.00 0.00 H new ATOM 0 HA MET A 80 7.713 -15.956 4.750 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.107 -15.977 2.170 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.512 -15.204 3.626 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.203 -14.551 2.367 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.727 -13.694 1.970 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.905 -11.566 5.059 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.602 -11.901 3.337 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.149 -13.101 4.570 1.00 0.00 H new ATOM 1243 N PRO A 81 5.515 -17.202 5.649 1.00 0.00 N ATOM 1244 CA PRO A 81 4.471 -18.062 6.201 1.00 0.00 C ATOM 1245 C PRO A 81 3.510 -18.569 5.116 1.00 0.00 C ATOM 1246 O PRO A 81 3.059 -17.791 4.268 1.00 0.00 O ATOM 1247 CB PRO A 81 3.755 -17.207 7.251 1.00 0.00 C ATOM 1248 CG PRO A 81 4.833 -16.227 7.706 1.00 0.00 C ATOM 1249 CD PRO A 81 5.618 -15.971 6.422 1.00 0.00 C ATOM 0 HA PRO A 81 4.890 -18.966 6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.894 -16.689 6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.387 -17.813 8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.403 -15.309 8.107 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.463 -16.652 8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.204 -15.126 5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.659 -15.731 6.640 1.00 0.00 H new ATOM 1257 N LYS A 82 3.175 -19.864 5.149 1.00 0.00 N ATOM 1258 CA LYS A 82 2.426 -20.533 4.082 1.00 0.00 C ATOM 1259 C LYS A 82 1.052 -20.985 4.569 1.00 0.00 C ATOM 1260 O LYS A 82 0.762 -20.980 5.768 1.00 0.00 O ATOM 1261 CB LYS A 82 3.198 -21.768 3.552 1.00 0.00 C ATOM 1262 CG LYS A 82 4.636 -21.541 3.063 1.00 0.00 C ATOM 1263 CD LYS A 82 4.726 -20.581 1.866 1.00 0.00 C ATOM 1264 CE LYS A 82 6.171 -20.307 1.409 1.00 0.00 C ATOM 1265 NZ LYS A 82 6.917 -21.514 0.970 1.00 0.00 N ATOM 0 H LYS A 82 3.419 -20.481 5.924 1.00 0.00 H new ATOM 0 HA LYS A 82 2.302 -19.808 3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.225 -22.515 4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.625 -22.197 2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.233 -21.144 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.074 -22.500 2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.162 -20.998 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.251 -19.636 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.149 -19.590 0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.715 -19.837 2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.603 -21.250 0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.421 -21.925 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.250 -22.214 0.587 1.00 0.00 H new ATOM 1279 N VAL A 83 0.243 -21.424 3.615 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.004 -22.156 3.763 1.00 0.00 C ATOM 1281 C VAL A 83 -0.854 -23.295 2.752 1.00 0.00 C ATOM 1282 O VAL A 83 -0.255 -23.089 1.692 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.214 -21.260 3.428 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.545 -21.979 3.695 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.210 -19.947 4.219 1.00 0.00 C ATOM 0 H VAL A 83 0.463 -21.262 2.632 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.182 -22.509 4.779 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.121 -21.035 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.373 -21.315 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.603 -22.877 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.604 -22.255 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.083 -19.354 3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.240 -20.165 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.304 -19.386 3.989 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.353 -24.491 3.067 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.176 -25.686 2.241 1.00 0.00 C ATOM 1297 C LYS A 84 -2.462 -26.509 2.240 1.00 0.00 C ATOM 1298 O LYS A 84 -3.332 -26.303 3.092 1.00 0.00 O ATOM 1299 CB LYS A 84 0.000 -26.531 2.768 1.00 0.00 C ATOM 1300 CG LYS A 84 1.361 -25.834 2.598 1.00 0.00 C ATOM 1301 CD LYS A 84 2.557 -26.740 2.932 1.00 0.00 C ATOM 1302 CE LYS A 84 2.685 -27.991 2.044 1.00 0.00 C ATOM 1303 NZ LYS A 84 2.801 -27.664 0.601 1.00 0.00 N ATOM 0 H LYS A 84 -1.898 -24.659 3.913 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.950 -25.381 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.161 -26.750 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.018 -27.486 2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.456 -25.484 1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.392 -24.953 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.473 -26.155 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.476 -27.056 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.560 -28.562 2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.816 -28.630 2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.102 -28.510 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.879 -27.344 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.503 -26.908 0.472 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.568 -27.435 1.285 1.00 0.00 N ATOM 1318 CA GLY A 85 -3.659 -28.396 1.207 1.00 0.00 C ATOM 1319 C GLY A 85 -3.740 -29.203 2.497 1.00 0.00 C ATOM 1320 O GLY A 85 -2.691 -29.699 2.959 1.00 0.00 O ATOM 1321 OXT GLY A 85 -4.853 -29.351 3.041 1.00 0.00 O ATOM 0 H GLY A 85 -1.885 -27.536 0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.601 -27.875 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.505 -29.064 0.360 1.00 0.00 H new