USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 894 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 34 ASN : amide:sc= -0.0307 X(o=0.095,f=-0.24) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -137:sc= 0.126 (180deg=-0.0703) USER MOD Set 2.1: A 16 THR OG1 : rot 120:sc= 0.927 USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.0874 (180deg=-0.694) USER MOD Single : A 2 HIS : no HE2:sc= 0.151 K(o=0.15,f=-1.6) USER MOD Single : A 3 HIS : no HD1:sc= 0.0412 K(o=0.041,f=-0.88) USER MOD Single : A 4 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.27) USER MOD Single : A 5 HIS : no HD1:sc= -0.441 K(o=-0.44,f=-0.99) USER MOD Single : A 6 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-3.6!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.125 F(o=-4.1!,f=-0.12) USER MOD Single : A 15 LYS NZ :NH3+ 161:sc=-0.000993 (180deg=-0.174) USER MOD Single : A 20 LYS NZ :NH3+ 140:sc= -0.523 (180deg=-3.01!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -91:sc= 0.927 USER MOD Single : A 28 SER OG : rot 34:sc= 0.618 USER MOD Single : A 29 SER OG : rot -40:sc= 0.577 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -121:sc= -1.35 (180deg=-2.72!) USER MOD Single : A 37 SER OG : rot 175:sc= -0.647 USER MOD Single : A 40 GLN : amide:sc= -0.51 K(o=-0.51,f=-3.8!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.29) USER MOD Single : A 50 GLN : amide:sc= -8.42! C(o=-8.4!,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.046 F(o=-0.81,f=-0.046) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 66 SER OG : rot -34:sc= 0.251 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.56) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 140:sc= -0.0626 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-3.9!) USER MOD Single : A 86 SER OG : rot -19:sc= 0.264 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 150:sc= -0.0148 (180deg=-0.578) USER MOD Single : A 104 SER OG : rot -0:sc= 0.865 USER MOD Single : A 106 LYS NZ :NH3+ 151:sc= 0.0652 (180deg=0) USER MOD Single : A 108 SER OG : rot -160:sc= 1.61 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 99:sc= 0.316 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 123.858 6.942 -9.020 1.00 0.00 N ATOM 2 CA MET A 1 122.900 7.553 -9.985 1.00 0.00 C ATOM 3 C MET A 1 121.536 7.713 -9.316 1.00 0.00 C ATOM 4 O MET A 1 120.502 7.729 -9.986 1.00 0.00 O ATOM 5 CB MET A 1 122.782 6.653 -11.222 1.00 0.00 C ATOM 6 CG MET A 1 122.447 5.221 -10.792 1.00 0.00 C ATOM 7 SD MET A 1 121.822 4.293 -12.214 1.00 0.00 S ATOM 8 CE MET A 1 121.533 2.727 -11.354 1.00 0.00 C ATOM 0 H1 MET A 1 124.665 6.540 -9.539 1.00 0.00 H new ATOM 0 H2 MET A 1 124.199 7.671 -8.361 1.00 0.00 H new ATOM 0 H3 MET A 1 123.380 6.188 -8.486 1.00 0.00 H new ATOM 0 HA MET A 1 123.260 8.535 -10.292 1.00 0.00 H new ATOM 0 HB2 MET A 1 122.007 7.033 -11.887 1.00 0.00 H new ATOM 0 HB3 MET A 1 123.717 6.665 -11.782 1.00 0.00 H new ATOM 0 HG2 MET A 1 123.335 4.734 -10.389 1.00 0.00 H new ATOM 0 HG3 MET A 1 121.702 5.234 -9.997 1.00 0.00 H new ATOM 0 HE1 MET A 1 121.138 1.993 -12.057 1.00 0.00 H new ATOM 0 HE2 MET A 1 122.472 2.362 -10.938 1.00 0.00 H new ATOM 0 HE3 MET A 1 120.815 2.881 -10.549 1.00 0.00 H new ATOM 20 N HIS A 2 121.545 7.830 -7.990 1.00 0.00 N ATOM 21 CA HIS A 2 120.306 7.986 -7.232 1.00 0.00 C ATOM 22 C HIS A 2 120.575 8.688 -5.905 1.00 0.00 C ATOM 23 O HIS A 2 121.637 8.515 -5.304 1.00 0.00 O ATOM 24 CB HIS A 2 119.667 6.616 -6.972 1.00 0.00 C ATOM 25 CG HIS A 2 120.741 5.599 -6.689 1.00 0.00 C ATOM 26 ND1 HIS A 2 121.600 5.712 -5.608 1.00 0.00 N ATOM 27 CD2 HIS A 2 121.108 4.448 -7.342 1.00 0.00 C ATOM 28 CE1 HIS A 2 122.434 4.656 -5.641 1.00 0.00 C ATOM 29 NE2 HIS A 2 122.176 3.854 -6.678 1.00 0.00 N ATOM 0 H HIS A 2 122.391 7.820 -7.421 1.00 0.00 H new ATOM 0 HA HIS A 2 119.620 8.595 -7.820 1.00 0.00 H new ATOM 0 HB2 HIS A 2 118.981 6.679 -6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 2 119.080 6.308 -7.837 1.00 0.00 H new ATOM 0 HD1 HIS A 2 121.600 6.459 -4.914 1.00 0.00 H new ATOM 0 HD2 HIS A 2 120.639 4.063 -8.235 1.00 0.00 H new ATOM 0 HE1 HIS A 2 123.216 4.479 -4.918 1.00 0.00 H new ATOM 37 N HIS A 3 119.605 9.481 -5.454 1.00 0.00 N ATOM 38 CA HIS A 3 119.741 10.209 -4.195 1.00 0.00 C ATOM 39 C HIS A 3 119.385 9.307 -3.014 1.00 0.00 C ATOM 40 O HIS A 3 119.192 8.101 -3.178 1.00 0.00 O ATOM 41 CB HIS A 3 118.825 11.437 -4.200 1.00 0.00 C ATOM 42 CG HIS A 3 119.023 12.210 -5.477 1.00 0.00 C ATOM 43 ND1 HIS A 3 118.319 11.920 -6.634 1.00 0.00 N ATOM 44 CD2 HIS A 3 119.843 13.266 -5.792 1.00 0.00 C ATOM 45 CE1 HIS A 3 118.724 12.783 -7.583 1.00 0.00 C ATOM 46 NE2 HIS A 3 119.653 13.625 -7.123 1.00 0.00 N ATOM 0 H HIS A 3 118.721 9.635 -5.939 1.00 0.00 H new ATOM 0 HA HIS A 3 120.777 10.531 -4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 3 117.784 11.127 -4.108 1.00 0.00 H new ATOM 0 HB3 HIS A 3 119.045 12.071 -3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 3 120.531 13.745 -5.110 1.00 0.00 H new ATOM 0 HE1 HIS A 3 118.344 12.794 -8.594 1.00 0.00 H new ATOM 0 HE2 HIS A 3 120.122 14.371 -7.637 1.00 0.00 H new ATOM 54 N HIS A 4 119.300 9.900 -1.824 1.00 0.00 N ATOM 55 CA HIS A 4 118.964 9.145 -0.621 1.00 0.00 C ATOM 56 C HIS A 4 117.447 9.060 -0.453 1.00 0.00 C ATOM 57 O HIS A 4 116.905 9.405 0.599 1.00 0.00 O ATOM 58 CB HIS A 4 119.593 9.815 0.607 1.00 0.00 C ATOM 59 CG HIS A 4 119.447 8.919 1.807 1.00 0.00 C ATOM 60 ND1 HIS A 4 118.952 9.382 3.017 1.00 0.00 N ATOM 61 CD2 HIS A 4 119.721 7.587 1.999 1.00 0.00 C ATOM 62 CE1 HIS A 4 118.943 8.344 3.874 1.00 0.00 C ATOM 63 NE2 HIS A 4 119.403 7.227 3.304 1.00 0.00 N ATOM 0 H HIS A 4 119.458 10.896 -1.669 1.00 0.00 H new ATOM 0 HA HIS A 4 119.360 8.134 -0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 4 120.647 10.020 0.421 1.00 0.00 H new ATOM 0 HB3 HIS A 4 119.111 10.774 0.797 1.00 0.00 H new ATOM 0 HD2 HIS A 4 120.122 6.920 1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 4 118.605 8.407 4.898 1.00 0.00 H new ATOM 0 HE2 HIS A 4 119.500 6.307 3.734 1.00 0.00 H new ATOM 71 N HIS A 5 116.770 8.597 -1.500 1.00 0.00 N ATOM 72 CA HIS A 5 115.315 8.466 -1.467 1.00 0.00 C ATOM 73 C HIS A 5 114.906 7.164 -0.777 1.00 0.00 C ATOM 74 O HIS A 5 113.730 6.796 -0.779 1.00 0.00 O ATOM 75 CB HIS A 5 114.757 8.496 -2.894 1.00 0.00 C ATOM 76 CG HIS A 5 115.148 7.238 -3.622 1.00 0.00 C ATOM 77 ND1 HIS A 5 114.291 6.155 -3.738 1.00 0.00 N ATOM 78 CD2 HIS A 5 116.301 6.875 -4.272 1.00 0.00 C ATOM 79 CE1 HIS A 5 114.935 5.201 -4.433 1.00 0.00 C ATOM 80 NE2 HIS A 5 116.165 5.587 -4.783 1.00 0.00 N ATOM 0 H HIS A 5 117.202 8.307 -2.378 1.00 0.00 H new ATOM 0 HA HIS A 5 114.905 9.302 -0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 5 113.671 8.589 -2.868 1.00 0.00 H new ATOM 0 HB3 HIS A 5 115.139 9.368 -3.425 1.00 0.00 H new ATOM 0 HD2 HIS A 5 117.180 7.494 -4.372 1.00 0.00 H new ATOM 0 HE1 HIS A 5 114.509 4.239 -4.679 1.00 0.00 H new ATOM 0 HE2 HIS A 5 116.856 5.053 -5.311 1.00 0.00 H new ATOM 88 N HIS A 6 115.889 6.475 -0.192 1.00 0.00 N ATOM 89 CA HIS A 6 115.643 5.210 0.504 1.00 0.00 C ATOM 90 C HIS A 6 115.188 4.127 -0.474 1.00 0.00 C ATOM 91 O HIS A 6 114.599 4.421 -1.516 1.00 0.00 O ATOM 92 CB HIS A 6 114.586 5.401 1.602 1.00 0.00 C ATOM 93 CG HIS A 6 114.398 4.111 2.354 1.00 0.00 C ATOM 94 ND1 HIS A 6 115.460 3.284 2.685 1.00 0.00 N ATOM 95 CD2 HIS A 6 113.275 3.491 2.843 1.00 0.00 C ATOM 96 CE1 HIS A 6 114.959 2.222 3.342 1.00 0.00 C ATOM 97 NE2 HIS A 6 113.632 2.299 3.466 1.00 0.00 N ATOM 0 H HIS A 6 116.865 6.773 -0.187 1.00 0.00 H new ATOM 0 HA HIS A 6 116.579 4.890 0.962 1.00 0.00 H new ATOM 0 HB2 HIS A 6 114.897 6.190 2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 6 113.641 5.717 1.160 1.00 0.00 H new ATOM 0 HD2 HIS A 6 112.268 3.871 2.757 1.00 0.00 H new ATOM 0 HE1 HIS A 6 115.557 1.407 3.722 1.00 0.00 H new ATOM 0 HE2 HIS A 6 113.013 1.628 3.920 1.00 0.00 H new ATOM 105 N HIS A 7 115.470 2.873 -0.128 1.00 0.00 N ATOM 106 CA HIS A 7 115.093 1.745 -0.974 1.00 0.00 C ATOM 107 C HIS A 7 113.574 1.598 -1.038 1.00 0.00 C ATOM 108 O HIS A 7 112.842 2.283 -0.321 1.00 0.00 O ATOM 109 CB HIS A 7 115.714 0.454 -0.429 1.00 0.00 C ATOM 110 CG HIS A 7 116.931 0.099 -1.241 1.00 0.00 C ATOM 111 ND1 HIS A 7 116.890 -0.839 -2.260 1.00 0.00 N ATOM 112 CD2 HIS A 7 118.226 0.549 -1.199 1.00 0.00 C ATOM 113 CE1 HIS A 7 118.125 -0.923 -2.785 1.00 0.00 C ATOM 114 NE2 HIS A 7 118.980 -0.097 -2.175 1.00 0.00 N ATOM 0 H HIS A 7 115.957 2.614 0.730 1.00 0.00 H new ATOM 0 HA HIS A 7 115.466 1.932 -1.981 1.00 0.00 H new ATOM 0 HB2 HIS A 7 115.988 0.584 0.618 1.00 0.00 H new ATOM 0 HB3 HIS A 7 114.987 -0.357 -0.470 1.00 0.00 H new ATOM 0 HD2 HIS A 7 118.604 1.292 -0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 7 118.393 -1.578 -3.600 1.00 0.00 H new ATOM 0 HE2 HIS A 7 119.971 0.032 -2.380 1.00 0.00 H new ATOM 122 N GLY A 8 113.111 0.699 -1.905 1.00 0.00 N ATOM 123 CA GLY A 8 111.680 0.462 -2.068 1.00 0.00 C ATOM 124 C GLY A 8 111.068 -0.142 -0.805 1.00 0.00 C ATOM 125 O GLY A 8 111.779 -0.477 0.143 1.00 0.00 O ATOM 0 H GLY A 8 113.705 0.125 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 8 111.179 1.401 -2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 8 111.514 -0.209 -2.911 1.00 0.00 H new ATOM 129 N GLU A 9 109.743 -0.274 -0.808 1.00 0.00 N ATOM 130 CA GLU A 9 109.027 -0.835 0.337 1.00 0.00 C ATOM 131 C GLU A 9 107.837 -1.669 -0.140 1.00 0.00 C ATOM 132 O GLU A 9 107.848 -2.195 -1.254 1.00 0.00 O ATOM 133 CB GLU A 9 108.545 0.302 1.250 1.00 0.00 C ATOM 134 CG GLU A 9 109.086 0.092 2.667 1.00 0.00 C ATOM 135 CD GLU A 9 110.585 0.381 2.704 1.00 0.00 C ATOM 136 OE1 GLU A 9 110.963 1.496 2.383 1.00 0.00 O ATOM 137 OE2 GLU A 9 111.334 -0.517 3.051 1.00 0.00 O ATOM 0 H GLU A 9 109.145 -0.001 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 9 109.701 -1.483 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 9 108.883 1.262 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 9 107.456 0.330 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 9 108.564 0.747 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 9 108.897 -0.932 2.989 1.00 0.00 H new ATOM 144 N PHE A 10 106.808 -1.781 0.703 1.00 0.00 N ATOM 145 CA PHE A 10 105.614 -2.543 0.348 1.00 0.00 C ATOM 146 C PHE A 10 104.432 -1.599 0.216 1.00 0.00 C ATOM 147 O PHE A 10 104.073 -0.899 1.165 1.00 0.00 O ATOM 148 CB PHE A 10 105.313 -3.610 1.414 1.00 0.00 C ATOM 149 CG PHE A 10 106.312 -3.512 2.547 1.00 0.00 C ATOM 150 CD1 PHE A 10 106.067 -2.654 3.626 1.00 0.00 C ATOM 151 CD2 PHE A 10 107.484 -4.279 2.516 1.00 0.00 C ATOM 152 CE1 PHE A 10 106.992 -2.563 4.673 1.00 0.00 C ATOM 153 CE2 PHE A 10 108.408 -4.188 3.563 1.00 0.00 C ATOM 154 CZ PHE A 10 108.162 -3.330 4.642 1.00 0.00 C ATOM 0 H PHE A 10 106.779 -1.356 1.630 1.00 0.00 H new ATOM 0 HA PHE A 10 105.789 -3.046 -0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 10 104.302 -3.476 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 10 105.355 -4.603 0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 10 105.164 -2.062 3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 10 107.674 -4.941 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.803 -1.901 5.505 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.311 -4.780 3.539 1.00 0.00 H new ATOM 0 HZ PHE A 10 108.875 -3.260 5.450 1.00 0.00 H new ATOM 164 N GLN A 11 103.841 -1.575 -0.972 1.00 0.00 N ATOM 165 CA GLN A 11 102.706 -0.703 -1.235 1.00 0.00 C ATOM 166 C GLN A 11 101.527 -1.485 -1.805 1.00 0.00 C ATOM 167 O GLN A 11 101.638 -2.112 -2.861 1.00 0.00 O ATOM 168 CB GLN A 11 103.124 0.405 -2.206 1.00 0.00 C ATOM 169 CG GLN A 11 103.968 -0.182 -3.345 1.00 0.00 C ATOM 170 CD GLN A 11 105.428 0.233 -3.180 1.00 0.00 C ATOM 171 OE1 GLN A 11 106.139 -0.281 -2.214 1.00 0.00 O flip ATOM 172 NE2 GLN A 11 105.933 1.046 -3.955 1.00 0.00 N flip ATOM 0 H GLN A 11 104.128 -2.148 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 11 102.387 -0.260 -0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 11 102.240 0.895 -2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 11 103.695 1.167 -1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 11 103.888 -1.269 -3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 11 103.589 0.165 -4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 11 105.375 1.446 -4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 11 106.909 1.319 -3.843 1.00 0.00 H new ATOM 181 N ILE A 12 100.396 -1.443 -1.104 1.00 0.00 N ATOM 182 CA ILE A 12 99.200 -2.149 -1.557 1.00 0.00 C ATOM 183 C ILE A 12 98.542 -1.400 -2.710 1.00 0.00 C ATOM 184 O ILE A 12 99.006 -0.334 -3.117 1.00 0.00 O ATOM 185 CB ILE A 12 98.199 -2.300 -0.403 1.00 0.00 C ATOM 186 CG1 ILE A 12 97.641 -0.922 -0.014 1.00 0.00 C ATOM 187 CG2 ILE A 12 98.896 -2.934 0.806 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.428 -1.097 0.905 1.00 0.00 C ATOM 0 H ILE A 12 100.283 -0.933 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 12 99.499 -3.139 -1.902 1.00 0.00 H new ATOM 0 HB ILE A 12 97.378 -2.942 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.410 -0.337 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.355 -0.369 -0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.183 -3.040 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.280 -3.916 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.721 -2.298 1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.035 -0.118 1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.657 -1.665 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.728 -1.632 1.806 1.00 0.00 H new ATOM 200 N PHE A 13 97.452 -1.963 -3.222 1.00 0.00 N ATOM 201 CA PHE A 13 96.720 -1.344 -4.321 1.00 0.00 C ATOM 202 C PHE A 13 95.276 -1.096 -3.908 1.00 0.00 C ATOM 203 O PHE A 13 94.615 -1.985 -3.376 1.00 0.00 O ATOM 204 CB PHE A 13 96.764 -2.244 -5.558 1.00 0.00 C ATOM 205 CG PHE A 13 98.111 -2.110 -6.230 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.230 -2.759 -5.691 1.00 0.00 C ATOM 207 CD2 PHE A 13 98.244 -1.336 -7.389 1.00 0.00 C ATOM 208 CE1 PHE A 13 100.478 -2.635 -6.312 1.00 0.00 C ATOM 209 CE2 PHE A 13 99.493 -1.212 -8.011 1.00 0.00 C ATOM 210 CZ PHE A 13 100.609 -1.860 -7.471 1.00 0.00 C ATOM 0 H PHE A 13 97.057 -2.845 -2.894 1.00 0.00 H new ATOM 0 HA PHE A 13 97.189 -0.391 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 13 96.589 -3.281 -5.273 1.00 0.00 H new ATOM 0 HB3 PHE A 13 95.970 -1.966 -6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 13 99.129 -3.355 -4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 13 97.383 -0.834 -7.804 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.340 -3.137 -5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 13 99.594 -0.617 -8.906 1.00 0.00 H new ATOM 0 HZ PHE A 13 101.573 -1.762 -7.949 1.00 0.00 H new ATOM 220 N ALA A 14 94.798 0.119 -4.157 1.00 0.00 N ATOM 221 CA ALA A 14 93.429 0.484 -3.808 1.00 0.00 C ATOM 222 C ALA A 14 92.642 0.851 -5.059 1.00 0.00 C ATOM 223 O ALA A 14 93.136 1.577 -5.922 1.00 0.00 O ATOM 224 CB ALA A 14 93.436 1.672 -2.842 1.00 0.00 C ATOM 0 H ALA A 14 95.336 0.865 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 14 92.954 -0.372 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.411 1.939 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 14 93.977 1.401 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 14 93.925 2.523 -3.316 1.00 0.00 H new ATOM 230 N LYS A 15 91.415 0.347 -5.146 1.00 0.00 N ATOM 231 CA LYS A 15 90.560 0.630 -6.292 1.00 0.00 C ATOM 232 C LYS A 15 89.368 1.476 -5.869 1.00 0.00 C ATOM 233 O LYS A 15 88.959 1.452 -4.711 1.00 0.00 O ATOM 234 CB LYS A 15 90.071 -0.674 -6.926 1.00 0.00 C ATOM 235 CG LYS A 15 89.756 -0.434 -8.408 1.00 0.00 C ATOM 236 CD LYS A 15 90.844 -1.069 -9.281 1.00 0.00 C ATOM 237 CE LYS A 15 90.585 -2.572 -9.418 1.00 0.00 C ATOM 238 NZ LYS A 15 89.468 -2.800 -10.380 1.00 0.00 N ATOM 0 H LYS A 15 90.993 -0.256 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 15 91.144 1.184 -7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 15 90.832 -1.448 -6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 15 89.182 -1.032 -6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 15 88.784 -0.860 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 15 89.696 0.636 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 15 90.853 -0.601 -10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 15 91.825 -0.898 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 15 91.487 -3.077 -9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 15 90.335 -2.999 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 89.498 -3.782 -10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 88.560 -2.625 -9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 89.567 -2.151 -11.187 1.00 0.00 H new ATOM 252 N THR A 16 88.813 2.214 -6.820 1.00 0.00 N ATOM 253 CA THR A 16 87.659 3.061 -6.543 1.00 0.00 C ATOM 254 C THR A 16 86.427 2.541 -7.273 1.00 0.00 C ATOM 255 O THR A 16 86.528 1.672 -8.141 1.00 0.00 O ATOM 256 CB THR A 16 87.942 4.501 -6.972 1.00 0.00 C ATOM 257 OG1 THR A 16 88.114 4.549 -8.381 1.00 0.00 O ATOM 258 CG2 THR A 16 89.210 5.005 -6.276 1.00 0.00 C ATOM 0 H THR A 16 89.140 2.244 -7.786 1.00 0.00 H new ATOM 0 HA THR A 16 87.469 3.039 -5.470 1.00 0.00 H new ATOM 0 HB THR A 16 87.103 5.137 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.435 5.136 -8.774 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.410 6.032 -6.583 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.070 4.970 -5.196 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.053 4.372 -6.553 1.00 0.00 H new ATOM 266 N LEU A 17 85.266 3.084 -6.920 1.00 0.00 N ATOM 267 CA LEU A 17 84.017 2.673 -7.551 1.00 0.00 C ATOM 268 C LEU A 17 83.964 3.170 -8.995 1.00 0.00 C ATOM 269 O LEU A 17 83.028 2.861 -9.734 1.00 0.00 O ATOM 270 CB LEU A 17 82.829 3.229 -6.750 1.00 0.00 C ATOM 271 CG LEU A 17 81.562 2.396 -7.001 1.00 0.00 C ATOM 272 CD1 LEU A 17 81.873 0.898 -6.886 1.00 0.00 C ATOM 273 CD2 LEU A 17 80.504 2.773 -5.961 1.00 0.00 C ATOM 0 H LEU A 17 85.164 3.805 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 17 83.962 1.584 -7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.068 3.224 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 17 82.649 4.267 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 17 81.194 2.602 -8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 17 80.965 0.323 -7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 17 82.628 0.625 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.248 0.680 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 17 79.601 2.187 -6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 17 80.887 2.567 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 17 80.270 3.834 -6.049 1.00 0.00 H new ATOM 285 N THR A 18 84.985 3.933 -9.389 1.00 0.00 N ATOM 286 CA THR A 18 85.065 4.464 -10.748 1.00 0.00 C ATOM 287 C THR A 18 86.104 3.693 -11.559 1.00 0.00 C ATOM 288 O THR A 18 86.102 3.738 -12.791 1.00 0.00 O ATOM 289 CB THR A 18 85.441 5.950 -10.710 1.00 0.00 C ATOM 290 OG1 THR A 18 86.660 6.113 -9.999 1.00 0.00 O ATOM 291 CG2 THR A 18 84.333 6.745 -10.015 1.00 0.00 C ATOM 0 H THR A 18 85.765 4.196 -8.787 1.00 0.00 H new ATOM 0 HA THR A 18 84.090 4.351 -11.222 1.00 0.00 H new ATOM 0 HB THR A 18 85.563 6.317 -11.729 1.00 0.00 H new ATOM 0 HG1 THR A 18 86.901 7.063 -9.976 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.604 7.801 -9.990 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.399 6.623 -10.563 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.206 6.378 -8.996 1.00 0.00 H new ATOM 299 N GLY A 19 86.986 2.979 -10.858 1.00 0.00 N ATOM 300 CA GLY A 19 88.026 2.190 -11.515 1.00 0.00 C ATOM 301 C GLY A 19 89.378 2.899 -11.478 1.00 0.00 C ATOM 302 O GLY A 19 90.087 2.948 -12.484 1.00 0.00 O ATOM 0 H GLY A 19 87.000 2.932 -9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.110 1.219 -11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 19 87.741 2.002 -12.550 1.00 0.00 H new ATOM 306 N LYS A 20 89.733 3.436 -10.312 1.00 0.00 N ATOM 307 CA LYS A 20 91.011 4.129 -10.151 1.00 0.00 C ATOM 308 C LYS A 20 91.983 3.261 -9.358 1.00 0.00 C ATOM 309 O LYS A 20 91.697 2.877 -8.225 1.00 0.00 O ATOM 310 CB LYS A 20 90.796 5.463 -9.425 1.00 0.00 C ATOM 311 CG LYS A 20 92.148 6.104 -9.084 1.00 0.00 C ATOM 312 CD LYS A 20 92.781 6.695 -10.347 1.00 0.00 C ATOM 313 CE LYS A 20 93.868 7.702 -9.958 1.00 0.00 C ATOM 314 NZ LYS A 20 94.885 7.034 -9.098 1.00 0.00 N ATOM 0 H LYS A 20 89.158 3.405 -9.470 1.00 0.00 H new ATOM 0 HA LYS A 20 91.432 4.322 -11.138 1.00 0.00 H new ATOM 0 HB2 LYS A 20 90.213 6.137 -10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.222 5.301 -8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.011 6.885 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 20 92.814 5.359 -8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 20 93.210 5.900 -10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 20 92.018 7.185 -10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 20 94.342 8.104 -10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 20 93.424 8.544 -9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.835 7.365 -9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 94.703 7.267 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 94.828 6.004 -9.229 1.00 0.00 H new ATOM 328 N THR A 21 93.133 2.965 -9.956 1.00 0.00 N ATOM 329 CA THR A 21 94.143 2.148 -9.291 1.00 0.00 C ATOM 330 C THR A 21 95.158 3.039 -8.579 1.00 0.00 C ATOM 331 O THR A 21 95.940 3.739 -9.222 1.00 0.00 O ATOM 332 CB THR A 21 94.856 1.260 -10.317 1.00 0.00 C ATOM 333 OG1 THR A 21 93.887 0.581 -11.106 1.00 0.00 O ATOM 334 CG2 THR A 21 95.732 0.235 -9.594 1.00 0.00 C ATOM 0 H THR A 21 93.388 3.276 -10.893 1.00 0.00 H new ATOM 0 HA THR A 21 93.652 1.515 -8.552 1.00 0.00 H new ATOM 0 HB THR A 21 95.483 1.880 -10.958 1.00 0.00 H new ATOM 0 HG1 THR A 21 94.340 0.014 -11.764 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.237 -0.394 -10.327 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.475 0.754 -8.988 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.109 -0.386 -8.950 1.00 0.00 H new ATOM 342 N ILE A 22 95.128 3.015 -7.248 1.00 0.00 N ATOM 343 CA ILE A 22 96.038 3.834 -6.452 1.00 0.00 C ATOM 344 C ILE A 22 96.981 2.961 -5.628 1.00 0.00 C ATOM 345 O ILE A 22 96.552 2.009 -4.976 1.00 0.00 O ATOM 346 CB ILE A 22 95.236 4.746 -5.517 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.154 5.483 -6.322 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.175 5.765 -4.863 1.00 0.00 C ATOM 349 CD1 ILE A 22 92.765 5.047 -5.844 1.00 0.00 C ATOM 0 H ILE A 22 94.487 2.440 -6.701 1.00 0.00 H new ATOM 0 HA ILE A 22 96.634 4.440 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 22 94.762 4.144 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.269 6.560 -6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 22 94.268 5.267 -7.384 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.603 6.413 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.939 5.240 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.652 6.368 -5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.001 5.572 -6.418 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.652 3.972 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 22 92.653 5.286 -4.786 1.00 0.00 H new ATOM 361 N THR A 23 98.266 3.304 -5.662 1.00 0.00 N ATOM 362 CA THR A 23 99.277 2.563 -4.916 1.00 0.00 C ATOM 363 C THR A 23 99.733 3.372 -3.703 1.00 0.00 C ATOM 364 O THR A 23 100.106 4.538 -3.832 1.00 0.00 O ATOM 365 CB THR A 23 100.474 2.262 -5.824 1.00 0.00 C ATOM 366 OG1 THR A 23 100.028 1.552 -6.971 1.00 0.00 O ATOM 367 CG2 THR A 23 101.500 1.417 -5.066 1.00 0.00 C ATOM 0 H THR A 23 98.631 4.091 -6.199 1.00 0.00 H new ATOM 0 HA THR A 23 98.845 1.624 -4.570 1.00 0.00 H new ATOM 0 HB THR A 23 100.939 3.199 -6.131 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.081 0.588 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.349 1.206 -5.716 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.843 1.963 -4.187 1.00 0.00 H new ATOM 0 HG23 THR A 23 101.040 0.479 -4.754 1.00 0.00 H new ATOM 375 N LEU A 24 99.692 2.747 -2.529 1.00 0.00 N ATOM 376 CA LEU A 24 100.094 3.419 -1.293 1.00 0.00 C ATOM 377 C LEU A 24 101.044 2.540 -0.484 1.00 0.00 C ATOM 378 O LEU A 24 100.809 1.341 -0.325 1.00 0.00 O ATOM 379 CB LEU A 24 98.858 3.762 -0.448 1.00 0.00 C ATOM 380 CG LEU A 24 97.762 2.706 -0.657 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.959 2.535 0.636 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.819 3.157 -1.779 1.00 0.00 C ATOM 0 H LEU A 24 99.387 1.782 -2.406 1.00 0.00 H new ATOM 0 HA LEU A 24 100.612 4.340 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.131 3.809 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.482 4.747 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 24 98.226 1.758 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.182 1.785 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.624 2.213 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.499 3.485 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.042 2.406 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.359 4.107 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.385 3.279 -2.703 1.00 0.00 H new ATOM 394 N GLU A 25 102.113 3.150 0.032 1.00 0.00 N ATOM 395 CA GLU A 25 103.098 2.420 0.831 1.00 0.00 C ATOM 396 C GLU A 25 102.595 2.222 2.259 1.00 0.00 C ATOM 397 O GLU A 25 102.722 3.106 3.105 1.00 0.00 O ATOM 398 CB GLU A 25 104.433 3.175 0.847 1.00 0.00 C ATOM 399 CG GLU A 25 104.201 4.657 1.173 1.00 0.00 C ATOM 400 CD GLU A 25 105.146 5.101 2.288 1.00 0.00 C ATOM 401 OE1 GLU A 25 106.238 5.542 1.971 1.00 0.00 O ATOM 402 OE2 GLU A 25 104.764 4.992 3.440 1.00 0.00 O ATOM 0 H GLU A 25 102.318 4.142 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 25 103.248 1.441 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 25 105.100 2.733 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.924 3.081 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 25 104.366 5.264 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 25 103.166 4.813 1.478 1.00 0.00 H new ATOM 409 N VAL A 26 102.013 1.054 2.511 1.00 0.00 N ATOM 410 CA VAL A 26 101.478 0.741 3.834 1.00 0.00 C ATOM 411 C VAL A 26 102.087 -0.543 4.387 1.00 0.00 C ATOM 412 O VAL A 26 102.870 -1.217 3.717 1.00 0.00 O ATOM 413 CB VAL A 26 99.959 0.585 3.754 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.330 1.894 3.269 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.615 -0.543 2.776 1.00 0.00 C ATOM 0 H VAL A 26 101.899 0.311 1.821 1.00 0.00 H new ATOM 0 HA VAL A 26 101.734 1.562 4.504 1.00 0.00 H new ATOM 0 HB VAL A 26 99.567 0.343 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.248 1.779 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.574 2.695 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.720 2.141 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.532 -0.656 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.009 -0.301 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 26 100.059 -1.475 3.125 1.00 0.00 H new ATOM 425 N GLU A 27 101.699 -0.876 5.616 1.00 0.00 N ATOM 426 CA GLU A 27 102.184 -2.086 6.274 1.00 0.00 C ATOM 427 C GLU A 27 101.189 -3.221 6.060 1.00 0.00 C ATOM 428 O GLU A 27 100.003 -2.978 5.852 1.00 0.00 O ATOM 429 CB GLU A 27 102.353 -1.836 7.776 1.00 0.00 C ATOM 430 CG GLU A 27 103.286 -0.642 8.003 1.00 0.00 C ATOM 431 CD GLU A 27 102.942 0.042 9.325 1.00 0.00 C ATOM 432 OE1 GLU A 27 103.445 -0.397 10.346 1.00 0.00 O ATOM 433 OE2 GLU A 27 102.180 0.994 9.295 1.00 0.00 O ATOM 0 H GLU A 27 101.050 -0.324 6.176 1.00 0.00 H new ATOM 0 HA GLU A 27 103.148 -2.359 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.383 -1.643 8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.761 -2.724 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 27 104.323 -0.977 8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.190 0.067 7.181 1.00 0.00 H new ATOM 440 N SER A 28 101.668 -4.459 6.115 1.00 0.00 N ATOM 441 CA SER A 28 100.788 -5.609 5.928 1.00 0.00 C ATOM 442 C SER A 28 99.727 -5.654 7.024 1.00 0.00 C ATOM 443 O SER A 28 98.712 -6.335 6.886 1.00 0.00 O ATOM 444 CB SER A 28 101.605 -6.904 5.948 1.00 0.00 C ATOM 445 OG SER A 28 100.740 -8.011 5.731 1.00 0.00 O ATOM 0 H SER A 28 102.647 -4.691 6.285 1.00 0.00 H new ATOM 0 HA SER A 28 100.292 -5.511 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 28 102.375 -6.873 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.116 -7.010 6.905 1.00 0.00 H new ATOM 0 HG SER A 28 100.019 -7.748 5.121 1.00 0.00 H new ATOM 451 N SER A 29 99.987 -4.945 8.119 1.00 0.00 N ATOM 452 CA SER A 29 99.074 -4.913 9.257 1.00 0.00 C ATOM 453 C SER A 29 98.524 -3.506 9.489 1.00 0.00 C ATOM 454 O SER A 29 97.802 -3.274 10.459 1.00 0.00 O ATOM 455 CB SER A 29 99.802 -5.385 10.517 1.00 0.00 C ATOM 456 OG SER A 29 98.856 -5.599 11.555 1.00 0.00 O ATOM 0 H SER A 29 100.828 -4.382 8.242 1.00 0.00 H new ATOM 0 HA SER A 29 98.239 -5.578 9.037 1.00 0.00 H new ATOM 0 HB2 SER A 29 100.348 -6.306 10.312 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.536 -4.641 10.826 1.00 0.00 H new ATOM 0 HG SER A 29 98.183 -4.887 11.536 1.00 0.00 H new ATOM 462 N ASP A 30 98.870 -2.570 8.603 1.00 0.00 N ATOM 463 CA ASP A 30 98.401 -1.190 8.737 1.00 0.00 C ATOM 464 C ASP A 30 96.895 -1.147 8.991 1.00 0.00 C ATOM 465 O ASP A 30 96.186 -2.114 8.725 1.00 0.00 O ATOM 466 CB ASP A 30 98.729 -0.395 7.466 1.00 0.00 C ATOM 467 CG ASP A 30 99.385 0.936 7.827 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.963 1.542 8.800 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.302 1.330 7.125 1.00 0.00 O ATOM 0 H ASP A 30 99.467 -2.740 7.793 1.00 0.00 H new ATOM 0 HA ASP A 30 98.912 -0.741 9.589 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.396 -0.975 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.818 -0.216 6.896 1.00 0.00 H new ATOM 474 N THR A 31 96.414 -0.018 9.501 1.00 0.00 N ATOM 475 CA THR A 31 94.990 0.134 9.786 1.00 0.00 C ATOM 476 C THR A 31 94.271 0.796 8.615 1.00 0.00 C ATOM 477 O THR A 31 94.893 1.489 7.808 1.00 0.00 O ATOM 478 CB THR A 31 94.796 0.978 11.051 1.00 0.00 C ATOM 479 OG1 THR A 31 95.184 2.321 10.789 1.00 0.00 O ATOM 480 CG2 THR A 31 95.651 0.408 12.187 1.00 0.00 C ATOM 0 H THR A 31 96.983 0.799 9.724 1.00 0.00 H new ATOM 0 HA THR A 31 94.565 -0.858 9.941 1.00 0.00 H new ATOM 0 HB THR A 31 93.747 0.954 11.344 1.00 0.00 H new ATOM 0 HG1 THR A 31 95.059 2.861 11.597 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.511 1.010 13.085 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.350 -0.620 12.389 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.702 0.428 11.897 1.00 0.00 H new ATOM 488 N ILE A 32 92.959 0.578 8.529 1.00 0.00 N ATOM 489 CA ILE A 32 92.165 1.163 7.452 1.00 0.00 C ATOM 490 C ILE A 32 92.404 2.668 7.380 1.00 0.00 C ATOM 491 O ILE A 32 92.646 3.214 6.305 1.00 0.00 O ATOM 492 CB ILE A 32 90.674 0.889 7.678 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.437 -0.618 7.870 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.868 1.382 6.472 1.00 0.00 C ATOM 495 CD1 ILE A 32 91.106 -1.410 6.740 1.00 0.00 C ATOM 0 H ILE A 32 92.429 0.006 9.186 1.00 0.00 H new ATOM 0 HA ILE A 32 92.471 0.706 6.511 1.00 0.00 H new ATOM 0 HB ILE A 32 90.350 1.419 8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.837 -0.936 8.833 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.367 -0.826 7.885 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.809 1.185 6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 32 90.022 2.453 6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.199 0.859 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.930 -2.475 6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.686 -1.103 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 32 92.178 -1.215 6.745 1.00 0.00 H new ATOM 507 N ASP A 33 92.336 3.332 8.533 1.00 0.00 N ATOM 508 CA ASP A 33 92.552 4.775 8.590 1.00 0.00 C ATOM 509 C ASP A 33 93.804 5.153 7.800 1.00 0.00 C ATOM 510 O ASP A 33 93.802 6.121 7.042 1.00 0.00 O ATOM 511 CB ASP A 33 92.704 5.223 10.045 1.00 0.00 C ATOM 512 CG ASP A 33 92.815 6.745 10.114 1.00 0.00 C ATOM 513 OD1 ASP A 33 91.784 7.392 10.196 1.00 0.00 O ATOM 514 OD2 ASP A 33 93.930 7.240 10.079 1.00 0.00 O ATOM 0 H ASP A 33 92.135 2.897 9.433 1.00 0.00 H new ATOM 0 HA ASP A 33 91.690 5.276 8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 33 91.848 4.886 10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 33 93.590 4.765 10.484 1.00 0.00 H new ATOM 519 N ASN A 34 94.866 4.367 7.978 1.00 0.00 N ATOM 520 CA ASN A 34 96.117 4.614 7.268 1.00 0.00 C ATOM 521 C ASN A 34 95.908 4.423 5.769 1.00 0.00 C ATOM 522 O ASN A 34 96.381 5.215 4.958 1.00 0.00 O ATOM 523 CB ASN A 34 97.198 3.649 7.762 1.00 0.00 C ATOM 524 CG ASN A 34 98.326 4.425 8.435 1.00 0.00 C ATOM 525 OD1 ASN A 34 99.274 4.843 7.770 1.00 0.00 O ATOM 526 ND2 ASN A 34 98.280 4.641 9.721 1.00 0.00 N ATOM 0 H ASN A 34 94.884 3.561 8.603 1.00 0.00 H new ATOM 0 HA ASN A 34 96.436 5.638 7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.767 2.936 8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 34 97.592 3.072 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.031 5.158 10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 34 97.493 4.293 10.269 1.00 0.00 H new ATOM 533 N VAL A 35 95.173 3.371 5.423 1.00 0.00 N ATOM 534 CA VAL A 35 94.877 3.078 4.024 1.00 0.00 C ATOM 535 C VAL A 35 94.144 4.263 3.397 1.00 0.00 C ATOM 536 O VAL A 35 94.527 4.753 2.332 1.00 0.00 O ATOM 537 CB VAL A 35 94.016 1.812 3.917 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.634 1.567 2.454 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.807 0.608 4.441 1.00 0.00 C ATOM 0 H VAL A 35 94.773 2.710 6.088 1.00 0.00 H new ATOM 0 HA VAL A 35 95.812 2.909 3.490 1.00 0.00 H new ATOM 0 HB VAL A 35 93.112 1.944 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.023 0.667 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.069 2.420 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.538 1.439 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.195 -0.291 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.713 0.482 3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 35 95.077 0.776 5.484 1.00 0.00 H new ATOM 549 N LYS A 36 93.099 4.726 4.079 1.00 0.00 N ATOM 550 CA LYS A 36 92.321 5.862 3.598 1.00 0.00 C ATOM 551 C LYS A 36 93.198 7.109 3.527 1.00 0.00 C ATOM 552 O LYS A 36 93.379 7.687 2.458 1.00 0.00 O ATOM 553 CB LYS A 36 91.131 6.116 4.529 1.00 0.00 C ATOM 554 CG LYS A 36 90.261 4.855 4.611 1.00 0.00 C ATOM 555 CD LYS A 36 88.824 5.236 4.983 1.00 0.00 C ATOM 556 CE LYS A 36 88.733 5.513 6.487 1.00 0.00 C ATOM 557 NZ LYS A 36 89.123 6.926 6.759 1.00 0.00 N ATOM 0 H LYS A 36 92.773 4.333 4.962 1.00 0.00 H new ATOM 0 HA LYS A 36 91.949 5.633 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.486 6.390 5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.540 6.954 4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 36 90.272 4.332 3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.669 4.169 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.515 6.118 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 36 88.142 4.430 4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 36 87.718 5.331 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 36 89.387 4.833 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 89.935 6.943 7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 89.383 7.392 5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 88.323 7.430 7.193 1.00 0.00 H new ATOM 571 N SER A 37 93.739 7.521 4.674 1.00 0.00 N ATOM 572 CA SER A 37 94.596 8.705 4.727 1.00 0.00 C ATOM 573 C SER A 37 95.649 8.654 3.622 1.00 0.00 C ATOM 574 O SER A 37 95.789 9.596 2.845 1.00 0.00 O ATOM 575 CB SER A 37 95.282 8.799 6.092 1.00 0.00 C ATOM 576 OG SER A 37 96.105 7.657 6.291 1.00 0.00 O ATOM 0 H SER A 37 93.601 7.057 5.572 1.00 0.00 H new ATOM 0 HA SER A 37 93.973 9.587 4.578 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.883 9.707 6.147 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.534 8.863 6.883 1.00 0.00 H new ATOM 0 HG SER A 37 96.606 7.756 7.128 1.00 0.00 H new ATOM 582 N LYS A 38 96.380 7.543 3.554 1.00 0.00 N ATOM 583 CA LYS A 38 97.413 7.379 2.533 1.00 0.00 C ATOM 584 C LYS A 38 96.840 7.681 1.148 1.00 0.00 C ATOM 585 O LYS A 38 97.541 8.189 0.272 1.00 0.00 O ATOM 586 CB LYS A 38 97.962 5.949 2.563 1.00 0.00 C ATOM 587 CG LYS A 38 98.898 5.778 3.766 1.00 0.00 C ATOM 588 CD LYS A 38 100.356 5.870 3.305 1.00 0.00 C ATOM 589 CE LYS A 38 101.279 5.354 4.413 1.00 0.00 C ATOM 590 NZ LYS A 38 101.206 6.265 5.590 1.00 0.00 N ATOM 0 H LYS A 38 96.278 6.750 4.187 1.00 0.00 H new ATOM 0 HA LYS A 38 98.223 8.078 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 38 97.140 5.235 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 38 98.500 5.736 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.693 6.547 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.718 4.815 4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.498 5.284 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 38 100.606 6.902 3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 38 100.987 4.345 4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 38 102.305 5.296 4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 102.163 6.428 5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 100.788 7.173 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 100.616 5.832 6.328 1.00 0.00 H new ATOM 604 N ILE A 39 95.559 7.365 0.966 1.00 0.00 N ATOM 605 CA ILE A 39 94.885 7.605 -0.308 1.00 0.00 C ATOM 606 C ILE A 39 94.593 9.099 -0.497 1.00 0.00 C ATOM 607 O ILE A 39 94.784 9.633 -1.588 1.00 0.00 O ATOM 608 CB ILE A 39 93.586 6.775 -0.364 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.586 5.893 -1.625 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.355 7.688 -0.372 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.073 6.689 -2.829 1.00 0.00 C ATOM 0 H ILE A 39 94.969 6.943 1.683 1.00 0.00 H new ATOM 0 HA ILE A 39 95.539 7.294 -1.123 1.00 0.00 H new ATOM 0 HB ILE A 39 93.542 6.144 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 39 94.594 5.530 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.957 5.017 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.451 7.080 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.345 8.294 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.392 8.341 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.078 6.053 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.056 7.030 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 39 93.719 7.551 -2.997 1.00 0.00 H new ATOM 623 N GLN A 40 94.114 9.764 0.560 1.00 0.00 N ATOM 624 CA GLN A 40 93.787 11.188 0.473 1.00 0.00 C ATOM 625 C GLN A 40 95.008 12.021 0.089 1.00 0.00 C ATOM 626 O GLN A 40 94.878 13.065 -0.539 1.00 0.00 O ATOM 627 CB GLN A 40 93.204 11.681 1.805 1.00 0.00 C ATOM 628 CG GLN A 40 94.318 12.135 2.761 1.00 0.00 C ATOM 629 CD GLN A 40 94.438 13.656 2.741 1.00 0.00 C ATOM 630 OE1 GLN A 40 95.270 14.205 2.019 1.00 0.00 O ATOM 631 NE2 GLN A 40 93.650 14.372 3.495 1.00 0.00 N ATOM 0 H GLN A 40 93.946 9.344 1.474 1.00 0.00 H new ATOM 0 HA GLN A 40 93.040 11.311 -0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.518 12.508 1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.624 10.883 2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 40 94.101 11.793 3.773 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.266 11.684 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 40 92.961 13.914 4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 40 93.723 15.389 3.487 1.00 0.00 H new ATOM 640 N ASP A 41 96.193 11.558 0.462 1.00 0.00 N ATOM 641 CA ASP A 41 97.409 12.285 0.126 1.00 0.00 C ATOM 642 C ASP A 41 97.674 12.166 -1.371 1.00 0.00 C ATOM 643 O ASP A 41 98.290 13.039 -1.983 1.00 0.00 O ATOM 644 CB ASP A 41 98.594 11.716 0.913 1.00 0.00 C ATOM 645 CG ASP A 41 99.870 12.476 0.560 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.070 13.546 1.113 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.626 11.979 -0.258 1.00 0.00 O ATOM 0 H ASP A 41 96.338 10.697 0.989 1.00 0.00 H new ATOM 0 HA ASP A 41 97.285 13.336 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.400 11.792 1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.717 10.657 0.686 1.00 0.00 H new ATOM 652 N LYS A 42 97.209 11.058 -1.938 1.00 0.00 N ATOM 653 CA LYS A 42 97.395 10.783 -3.358 1.00 0.00 C ATOM 654 C LYS A 42 96.213 11.275 -4.202 1.00 0.00 C ATOM 655 O LYS A 42 96.407 11.719 -5.334 1.00 0.00 O ATOM 656 CB LYS A 42 97.585 9.277 -3.562 1.00 0.00 C ATOM 657 CG LYS A 42 98.926 8.843 -2.962 1.00 0.00 C ATOM 658 CD LYS A 42 100.013 8.864 -4.044 1.00 0.00 C ATOM 659 CE LYS A 42 100.416 7.432 -4.398 1.00 0.00 C ATOM 660 NZ LYS A 42 101.511 7.460 -5.409 1.00 0.00 N ATOM 0 H LYS A 42 96.699 10.333 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 42 98.281 11.325 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.769 8.730 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.556 9.037 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 42 99.201 9.509 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 42 98.839 7.841 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.646 9.379 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 42 100.881 9.419 -3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.746 6.904 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 42 99.557 6.888 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 101.786 6.486 -5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 101.180 7.949 -6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 102.332 7.964 -5.018 1.00 0.00 H new ATOM 674 N GLU A 43 94.990 11.171 -3.670 1.00 0.00 N ATOM 675 CA GLU A 43 93.799 11.587 -4.421 1.00 0.00 C ATOM 676 C GLU A 43 93.095 12.778 -3.768 1.00 0.00 C ATOM 677 O GLU A 43 92.065 13.239 -4.262 1.00 0.00 O ATOM 678 CB GLU A 43 92.817 10.414 -4.515 1.00 0.00 C ATOM 679 CG GLU A 43 93.213 9.493 -5.675 1.00 0.00 C ATOM 680 CD GLU A 43 94.618 8.940 -5.458 1.00 0.00 C ATOM 681 OE1 GLU A 43 94.870 8.422 -4.385 1.00 0.00 O ATOM 682 OE2 GLU A 43 95.422 9.040 -6.371 1.00 0.00 O ATOM 0 H GLU A 43 94.799 10.808 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 43 94.127 11.893 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.815 9.855 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.804 10.788 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 43 92.500 8.672 -5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.173 10.043 -6.615 1.00 0.00 H new ATOM 689 N GLY A 44 93.654 13.281 -2.674 1.00 0.00 N ATOM 690 CA GLY A 44 93.069 14.429 -1.980 1.00 0.00 C ATOM 691 C GLY A 44 91.830 14.030 -1.180 1.00 0.00 C ATOM 692 O GLY A 44 91.672 14.434 -0.028 1.00 0.00 O ATOM 0 H GLY A 44 94.506 12.917 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.810 14.867 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.802 15.197 -2.706 1.00 0.00 H new ATOM 696 N ILE A 45 90.953 13.248 -1.811 1.00 0.00 N ATOM 697 CA ILE A 45 89.713 12.799 -1.175 1.00 0.00 C ATOM 698 C ILE A 45 89.927 12.490 0.310 1.00 0.00 C ATOM 699 O ILE A 45 90.616 11.528 0.652 1.00 0.00 O ATOM 700 CB ILE A 45 89.191 11.542 -1.878 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.050 11.808 -3.387 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.833 11.152 -1.285 1.00 0.00 C ATOM 703 CD1 ILE A 45 87.732 12.533 -3.681 1.00 0.00 C ATOM 0 H ILE A 45 91.079 12.911 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 45 88.985 13.606 -1.261 1.00 0.00 H new ATOM 0 HB ILE A 45 89.896 10.724 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 45 89.889 12.409 -3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 45 89.084 10.866 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.461 10.258 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.945 10.952 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.125 11.969 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 45 87.647 12.714 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 45 86.896 11.917 -3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 45 87.714 13.485 -3.150 1.00 0.00 H new ATOM 715 N PRO A 46 89.352 13.279 1.188 1.00 0.00 N ATOM 716 CA PRO A 46 89.488 13.075 2.659 1.00 0.00 C ATOM 717 C PRO A 46 89.172 11.633 3.068 1.00 0.00 C ATOM 718 O PRO A 46 88.215 11.040 2.575 1.00 0.00 O ATOM 719 CB PRO A 46 88.482 14.048 3.292 1.00 0.00 C ATOM 720 CG PRO A 46 87.796 14.776 2.176 1.00 0.00 C ATOM 721 CD PRO A 46 88.519 14.447 0.871 1.00 0.00 C ATOM 0 HA PRO A 46 90.511 13.259 2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.757 13.508 3.900 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.991 14.750 3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.749 14.478 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.811 15.851 2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.812 14.223 0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.127 15.286 0.533 1.00 0.00 H new ATOM 729 N PRO A 47 89.962 11.068 3.951 1.00 0.00 N ATOM 730 CA PRO A 47 89.768 9.666 4.428 1.00 0.00 C ATOM 731 C PRO A 47 88.341 9.399 4.909 1.00 0.00 C ATOM 732 O PRO A 47 87.754 8.362 4.596 1.00 0.00 O ATOM 733 CB PRO A 47 90.753 9.504 5.597 1.00 0.00 C ATOM 734 CG PRO A 47 91.468 10.810 5.767 1.00 0.00 C ATOM 735 CD PRO A 47 91.123 11.706 4.580 1.00 0.00 C ATOM 0 HA PRO A 47 89.942 8.959 3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 47 90.223 9.235 6.511 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.462 8.702 5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 47 91.170 11.287 6.701 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.545 10.649 5.820 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.889 12.720 4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.959 11.779 3.884 1.00 0.00 H new ATOM 743 N ASP A 48 87.797 10.337 5.681 1.00 0.00 N ATOM 744 CA ASP A 48 86.444 10.196 6.219 1.00 0.00 C ATOM 745 C ASP A 48 85.397 10.235 5.108 1.00 0.00 C ATOM 746 O ASP A 48 84.256 9.813 5.304 1.00 0.00 O ATOM 747 CB ASP A 48 86.164 11.317 7.222 1.00 0.00 C ATOM 748 CG ASP A 48 87.333 11.452 8.196 1.00 0.00 C ATOM 749 OD1 ASP A 48 88.257 12.188 7.885 1.00 0.00 O ATOM 750 OD2 ASP A 48 87.288 10.816 9.236 1.00 0.00 O ATOM 0 H ASP A 48 88.270 11.201 5.948 1.00 0.00 H new ATOM 0 HA ASP A 48 86.380 9.228 6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 48 86.010 12.258 6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 48 85.246 11.105 7.770 1.00 0.00 H new ATOM 755 N GLN A 49 85.788 10.748 3.945 1.00 0.00 N ATOM 756 CA GLN A 49 84.874 10.843 2.812 1.00 0.00 C ATOM 757 C GLN A 49 84.834 9.530 2.035 1.00 0.00 C ATOM 758 O GLN A 49 84.064 9.387 1.087 1.00 0.00 O ATOM 759 CB GLN A 49 85.323 11.977 1.886 1.00 0.00 C ATOM 760 CG GLN A 49 84.182 12.358 0.939 1.00 0.00 C ATOM 761 CD GLN A 49 84.487 13.696 0.274 1.00 0.00 C ATOM 762 OE1 GLN A 49 85.084 13.736 -0.802 1.00 0.00 O ATOM 763 NE2 GLN A 49 84.112 14.802 0.857 1.00 0.00 N ATOM 0 H GLN A 49 86.727 11.103 3.763 1.00 0.00 H new ATOM 0 HA GLN A 49 83.873 11.050 3.190 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.622 12.843 2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 49 86.196 11.666 1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 49 84.053 11.586 0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.245 12.421 1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 49 83.618 14.766 1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 49 84.313 15.702 0.421 1.00 0.00 H new ATOM 772 N GLN A 50 85.689 8.587 2.422 1.00 0.00 N ATOM 773 CA GLN A 50 85.761 7.299 1.734 1.00 0.00 C ATOM 774 C GLN A 50 85.540 6.140 2.705 1.00 0.00 C ATOM 775 O GLN A 50 85.607 6.312 3.923 1.00 0.00 O ATOM 776 CB GLN A 50 87.132 7.159 1.060 1.00 0.00 C ATOM 777 CG GLN A 50 87.828 8.523 1.044 1.00 0.00 C ATOM 778 CD GLN A 50 89.074 8.482 0.171 1.00 0.00 C ATOM 779 OE1 GLN A 50 90.150 8.877 0.615 1.00 0.00 O ATOM 780 NE2 GLN A 50 88.994 8.035 -1.052 1.00 0.00 N ATOM 0 H GLN A 50 86.338 8.688 3.203 1.00 0.00 H new ATOM 0 HA GLN A 50 84.972 7.264 0.983 1.00 0.00 H new ATOM 0 HB2 GLN A 50 87.742 6.433 1.597 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.014 6.786 0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 50 87.141 9.283 0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 50 88.099 8.810 2.060 1.00 0.00 H new ATOM 0 HE21 GLN A 50 88.100 7.708 -1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 50 89.826 8.013 -1.642 1.00 0.00 H new ATOM 789 N ARG A 51 85.276 4.958 2.145 1.00 0.00 N ATOM 790 CA ARG A 51 85.042 3.757 2.947 1.00 0.00 C ATOM 791 C ARG A 51 85.756 2.563 2.319 1.00 0.00 C ATOM 792 O ARG A 51 86.127 2.602 1.147 1.00 0.00 O ATOM 793 CB ARG A 51 83.539 3.463 3.036 1.00 0.00 C ATOM 794 CG ARG A 51 82.746 4.775 3.052 1.00 0.00 C ATOM 795 CD ARG A 51 81.249 4.472 3.153 1.00 0.00 C ATOM 796 NE ARG A 51 80.958 3.756 4.391 1.00 0.00 N ATOM 797 CZ ARG A 51 81.191 4.309 5.578 1.00 0.00 C ATOM 798 NH1 ARG A 51 80.488 5.336 5.968 1.00 0.00 N ATOM 799 NH2 ARG A 51 82.126 3.825 6.349 1.00 0.00 N ATOM 0 H ARG A 51 85.219 4.807 1.138 1.00 0.00 H new ATOM 0 HA ARG A 51 85.434 3.927 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.229 2.852 2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.326 2.889 3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.060 5.391 3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 51 82.951 5.346 2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 51 80.680 5.401 3.120 1.00 0.00 H new ATOM 0 HD3 ARG A 51 80.934 3.875 2.297 1.00 0.00 H new ATOM 0 HE ARG A 51 80.569 2.814 4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 51 79.760 5.715 5.363 1.00 0.00 H new ATOM 0 HH12 ARG A 51 80.667 5.760 6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 51 82.677 3.024 6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 51 82.306 4.248 7.260 1.00 0.00 H new ATOM 813 N LEU A 52 85.943 1.499 3.099 1.00 0.00 N ATOM 814 CA LEU A 52 86.613 0.301 2.598 1.00 0.00 C ATOM 815 C LEU A 52 85.661 -0.894 2.645 1.00 0.00 C ATOM 816 O LEU A 52 85.324 -1.386 3.723 1.00 0.00 O ATOM 817 CB LEU A 52 87.857 0.004 3.452 1.00 0.00 C ATOM 818 CG LEU A 52 89.105 -0.127 2.565 1.00 0.00 C ATOM 819 CD1 LEU A 52 88.906 -1.245 1.534 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.369 1.200 1.844 1.00 0.00 C ATOM 0 H LEU A 52 85.643 1.442 4.072 1.00 0.00 H new ATOM 0 HA LEU A 52 86.916 0.473 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.004 0.802 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 52 87.706 -0.917 4.015 1.00 0.00 H new ATOM 0 HG LEU A 52 89.961 -0.374 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 52 89.797 -1.328 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 52 88.734 -2.190 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.045 -1.013 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.255 1.103 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.510 1.454 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 52 89.530 1.988 2.580 1.00 0.00 H new ATOM 832 N ILE A 53 85.234 -1.355 1.473 1.00 0.00 N ATOM 833 CA ILE A 53 84.325 -2.496 1.386 1.00 0.00 C ATOM 834 C ILE A 53 85.059 -3.689 0.780 1.00 0.00 C ATOM 835 O ILE A 53 85.504 -3.625 -0.365 1.00 0.00 O ATOM 836 CB ILE A 53 83.110 -2.137 0.510 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.111 -1.292 1.312 1.00 0.00 C ATOM 838 CG2 ILE A 53 82.411 -3.418 0.041 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.752 0.036 1.725 1.00 0.00 C ATOM 0 H ILE A 53 85.501 -0.958 0.572 1.00 0.00 H new ATOM 0 HA ILE A 53 83.978 -2.752 2.387 1.00 0.00 H new ATOM 0 HB ILE A 53 83.459 -1.568 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.220 -1.103 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 53 81.789 -1.840 2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 53 81.552 -3.158 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.108 -4.021 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.074 -3.987 0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.033 0.626 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.629 -0.160 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.051 0.588 0.834 1.00 0.00 H new ATOM 851 N TRP A 54 85.191 -4.771 1.546 1.00 0.00 N ATOM 852 CA TRP A 54 85.882 -5.960 1.055 1.00 0.00 C ATOM 853 C TRP A 54 85.049 -7.217 1.295 1.00 0.00 C ATOM 854 O TRP A 54 84.493 -7.412 2.377 1.00 0.00 O ATOM 855 CB TRP A 54 87.237 -6.103 1.756 1.00 0.00 C ATOM 856 CG TRP A 54 87.882 -7.389 1.350 1.00 0.00 C ATOM 857 CD1 TRP A 54 88.175 -8.411 2.188 1.00 0.00 C ATOM 858 CD2 TRP A 54 88.312 -7.812 0.023 1.00 0.00 C ATOM 859 NE1 TRP A 54 88.756 -9.432 1.460 1.00 0.00 N ATOM 860 CE2 TRP A 54 88.863 -9.111 0.122 1.00 0.00 C ATOM 861 CE3 TRP A 54 88.278 -7.201 -1.244 1.00 0.00 C ATOM 862 CZ2 TRP A 54 89.364 -9.781 -0.995 1.00 0.00 C ATOM 863 CZ3 TRP A 54 88.781 -7.872 -2.371 1.00 0.00 C ATOM 864 CH2 TRP A 54 89.322 -9.159 -2.246 1.00 0.00 C ATOM 0 H TRP A 54 84.833 -4.848 2.498 1.00 0.00 H new ATOM 0 HA TRP A 54 86.034 -5.845 -0.018 1.00 0.00 H new ATOM 0 HB2 TRP A 54 87.882 -5.264 1.496 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.102 -6.078 2.837 1.00 0.00 H new ATOM 0 HD1 TRP A 54 87.986 -8.426 3.251 1.00 0.00 H new ATOM 0 HE1 TRP A 54 89.068 -10.316 1.863 1.00 0.00 H new ATOM 0 HE3 TRP A 54 87.863 -6.210 -1.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 89.781 -10.772 -0.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 88.751 -7.394 -3.339 1.00 0.00 H new ATOM 0 HH2 TRP A 54 89.706 -9.670 -3.116 1.00 0.00 H new ATOM 875 N ALA A 55 84.977 -8.064 0.270 1.00 0.00 N ATOM 876 CA ALA A 55 84.224 -9.312 0.348 1.00 0.00 C ATOM 877 C ALA A 55 82.750 -9.052 0.664 1.00 0.00 C ATOM 878 O ALA A 55 82.214 -9.577 1.641 1.00 0.00 O ATOM 879 CB ALA A 55 84.834 -10.225 1.417 1.00 0.00 C ATOM 0 H ALA A 55 85.434 -7.906 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 55 84.281 -9.802 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 55 84.266 -11.154 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 55 85.870 -10.446 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 55 84.801 -9.725 2.385 1.00 0.00 H new ATOM 885 N GLY A 56 82.097 -8.257 -0.185 1.00 0.00 N ATOM 886 CA GLY A 56 80.678 -7.946 -0.015 1.00 0.00 C ATOM 887 C GLY A 56 80.346 -7.435 1.387 1.00 0.00 C ATOM 888 O GLY A 56 79.173 -7.342 1.749 1.00 0.00 O ATOM 0 H GLY A 56 82.529 -7.817 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 56 80.385 -7.195 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.088 -8.839 -0.220 1.00 0.00 H new ATOM 892 N LYS A 57 81.370 -7.113 2.177 1.00 0.00 N ATOM 893 CA LYS A 57 81.145 -6.627 3.535 1.00 0.00 C ATOM 894 C LYS A 57 81.885 -5.315 3.779 1.00 0.00 C ATOM 895 O LYS A 57 83.014 -5.132 3.323 1.00 0.00 O ATOM 896 CB LYS A 57 81.615 -7.676 4.548 1.00 0.00 C ATOM 897 CG LYS A 57 81.084 -7.325 5.942 1.00 0.00 C ATOM 898 CD LYS A 57 81.436 -8.448 6.922 1.00 0.00 C ATOM 899 CE LYS A 57 81.221 -7.967 8.360 1.00 0.00 C ATOM 900 NZ LYS A 57 80.053 -8.676 8.954 1.00 0.00 N ATOM 0 H LYS A 57 82.350 -7.179 1.904 1.00 0.00 H new ATOM 0 HA LYS A 57 80.077 -6.449 3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.262 -8.664 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 57 82.704 -7.718 4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.517 -6.384 6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 57 80.004 -7.185 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 57 80.816 -9.323 6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 57 82.473 -8.754 6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.115 -8.155 8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 57 81.051 -6.890 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 79.908 -8.349 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 79.202 -8.475 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.233 -9.700 8.955 1.00 0.00 H new ATOM 914 N GLN A 58 81.238 -4.412 4.511 1.00 0.00 N ATOM 915 CA GLN A 58 81.835 -3.120 4.829 1.00 0.00 C ATOM 916 C GLN A 58 82.863 -3.281 5.944 1.00 0.00 C ATOM 917 O GLN A 58 82.561 -3.839 7.000 1.00 0.00 O ATOM 918 CB GLN A 58 80.750 -2.133 5.270 1.00 0.00 C ATOM 919 CG GLN A 58 79.600 -2.132 4.256 1.00 0.00 C ATOM 920 CD GLN A 58 78.559 -1.088 4.650 1.00 0.00 C ATOM 921 OE1 GLN A 58 78.947 0.038 5.184 1.00 0.00 O flip ATOM 922 NE2 GLN A 58 77.362 -1.304 4.467 1.00 0.00 N flip ATOM 0 H GLN A 58 80.303 -4.551 4.894 1.00 0.00 H new ATOM 0 HA GLN A 58 82.329 -2.734 3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.376 -2.407 6.256 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.171 -1.131 5.356 1.00 0.00 H new ATOM 0 HG2 GLN A 58 79.984 -1.917 3.259 1.00 0.00 H new ATOM 0 HG3 GLN A 58 79.140 -3.119 4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 58 77.061 -2.185 4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 58 76.671 -0.603 4.733 1.00 0.00 H new ATOM 931 N LEU A 59 84.078 -2.802 5.700 1.00 0.00 N ATOM 932 CA LEU A 59 85.147 -2.913 6.691 1.00 0.00 C ATOM 933 C LEU A 59 85.106 -1.748 7.676 1.00 0.00 C ATOM 934 O LEU A 59 84.756 -0.625 7.310 1.00 0.00 O ATOM 935 CB LEU A 59 86.512 -2.937 5.996 1.00 0.00 C ATOM 936 CG LEU A 59 86.529 -4.019 4.910 1.00 0.00 C ATOM 937 CD1 LEU A 59 87.805 -3.883 4.073 1.00 0.00 C ATOM 938 CD2 LEU A 59 86.486 -5.405 5.565 1.00 0.00 C ATOM 0 H LEU A 59 84.348 -2.337 4.833 1.00 0.00 H new ATOM 0 HA LEU A 59 84.997 -3.843 7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 59 86.721 -1.963 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.298 -3.131 6.726 1.00 0.00 H new ATOM 0 HG LEU A 59 85.659 -3.899 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 59 87.817 -4.652 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 59 87.830 -2.899 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 59 88.677 -4.001 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 59 86.498 -6.173 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 59 87.354 -5.528 6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 59 85.575 -5.500 6.156 1.00 0.00 H new ATOM 950 N GLU A 60 85.478 -2.026 8.925 1.00 0.00 N ATOM 951 CA GLU A 60 85.494 -0.995 9.960 1.00 0.00 C ATOM 952 C GLU A 60 86.846 -0.290 9.976 1.00 0.00 C ATOM 953 O GLU A 60 87.891 -0.935 9.932 1.00 0.00 O ATOM 954 CB GLU A 60 85.225 -1.621 11.333 1.00 0.00 C ATOM 955 CG GLU A 60 83.725 -1.889 11.495 1.00 0.00 C ATOM 956 CD GLU A 60 83.402 -3.325 11.086 1.00 0.00 C ATOM 957 OE1 GLU A 60 83.465 -4.191 11.943 1.00 0.00 O ATOM 958 OE2 GLU A 60 83.100 -3.536 9.923 1.00 0.00 O ATOM 0 H GLU A 60 85.770 -2.950 9.243 1.00 0.00 H new ATOM 0 HA GLU A 60 84.713 -0.268 9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.783 -2.552 11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.572 -0.954 12.122 1.00 0.00 H new ATOM 0 HG2 GLU A 60 83.427 -1.722 12.530 1.00 0.00 H new ATOM 0 HG3 GLU A 60 83.155 -1.191 10.882 1.00 0.00 H new ATOM 965 N ASP A 61 86.813 1.039 10.022 1.00 0.00 N ATOM 966 CA ASP A 61 88.039 1.839 10.028 1.00 0.00 C ATOM 967 C ASP A 61 89.038 1.347 11.081 1.00 0.00 C ATOM 968 O ASP A 61 90.234 1.629 10.988 1.00 0.00 O ATOM 969 CB ASP A 61 87.695 3.306 10.303 1.00 0.00 C ATOM 970 CG ASP A 61 87.192 3.465 11.736 1.00 0.00 C ATOM 971 OD1 ASP A 61 86.037 3.156 11.976 1.00 0.00 O ATOM 972 OD2 ASP A 61 87.971 3.891 12.573 1.00 0.00 O ATOM 0 H ASP A 61 85.953 1.586 10.056 1.00 0.00 H new ATOM 0 HA ASP A 61 88.505 1.736 9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 61 88.575 3.930 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 61 86.934 3.647 9.602 1.00 0.00 H new ATOM 977 N GLY A 62 88.544 0.625 12.085 1.00 0.00 N ATOM 978 CA GLY A 62 89.406 0.118 13.152 1.00 0.00 C ATOM 979 C GLY A 62 90.060 -1.212 12.776 1.00 0.00 C ATOM 980 O GLY A 62 90.824 -1.774 13.562 1.00 0.00 O ATOM 0 H GLY A 62 87.559 0.379 12.182 1.00 0.00 H new ATOM 0 HA2 GLY A 62 90.180 0.853 13.373 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.820 -0.011 14.062 1.00 0.00 H new ATOM 984 N ARG A 63 89.759 -1.713 11.580 1.00 0.00 N ATOM 985 CA ARG A 63 90.326 -2.982 11.128 1.00 0.00 C ATOM 986 C ARG A 63 91.791 -2.816 10.731 1.00 0.00 C ATOM 987 O ARG A 63 92.267 -1.699 10.527 1.00 0.00 O ATOM 988 CB ARG A 63 89.535 -3.520 9.929 1.00 0.00 C ATOM 989 CG ARG A 63 88.315 -4.307 10.420 1.00 0.00 C ATOM 990 CD ARG A 63 88.035 -5.466 9.459 1.00 0.00 C ATOM 991 NE ARG A 63 87.056 -6.383 10.039 1.00 0.00 N ATOM 992 CZ ARG A 63 85.752 -6.115 10.013 1.00 0.00 C ATOM 993 NH1 ARG A 63 85.292 -5.163 9.249 1.00 0.00 N ATOM 994 NH2 ARG A 63 84.932 -6.807 10.755 1.00 0.00 N ATOM 0 H ARG A 63 89.132 -1.265 10.912 1.00 0.00 H new ATOM 0 HA ARG A 63 90.263 -3.689 11.955 1.00 0.00 H new ATOM 0 HB2 ARG A 63 89.214 -2.694 9.294 1.00 0.00 H new ATOM 0 HB3 ARG A 63 90.172 -4.162 9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 63 88.496 -4.689 11.425 1.00 0.00 H new ATOM 0 HG3 ARG A 63 87.446 -3.652 10.480 1.00 0.00 H new ATOM 0 HD2 ARG A 63 87.663 -5.079 8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 63 88.960 -6.000 9.244 1.00 0.00 H new ATOM 0 HE ARG A 63 87.379 -7.248 10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 63 85.932 -4.621 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.292 -4.961 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.290 -7.551 11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 63 83.933 -6.604 10.737 1.00 0.00 H new ATOM 1008 N THR A 64 92.494 -3.943 10.622 1.00 0.00 N ATOM 1009 CA THR A 64 93.905 -3.931 10.244 1.00 0.00 C ATOM 1010 C THR A 64 94.105 -4.627 8.901 1.00 0.00 C ATOM 1011 O THR A 64 93.241 -5.376 8.441 1.00 0.00 O ATOM 1012 CB THR A 64 94.745 -4.641 11.313 1.00 0.00 C ATOM 1013 OG1 THR A 64 94.154 -5.895 11.622 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.811 -3.779 12.576 1.00 0.00 C ATOM 0 H THR A 64 92.110 -4.873 10.790 1.00 0.00 H new ATOM 0 HA THR A 64 94.226 -2.893 10.159 1.00 0.00 H new ATOM 0 HB THR A 64 95.755 -4.798 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.691 -6.350 12.304 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.409 -4.287 13.333 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.268 -2.819 12.338 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.803 -3.616 12.959 1.00 0.00 H new ATOM 1022 N LEU A 65 95.253 -4.376 8.280 1.00 0.00 N ATOM 1023 CA LEU A 65 95.574 -4.977 6.991 1.00 0.00 C ATOM 1024 C LEU A 65 95.855 -6.470 7.169 1.00 0.00 C ATOM 1025 O LEU A 65 95.482 -7.289 6.329 1.00 0.00 O ATOM 1026 CB LEU A 65 96.801 -4.266 6.388 1.00 0.00 C ATOM 1027 CG LEU A 65 96.356 -3.053 5.550 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.534 -2.528 4.727 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.221 -3.447 4.596 1.00 0.00 C ATOM 0 H LEU A 65 95.977 -3.760 8.649 1.00 0.00 H new ATOM 0 HA LEU A 65 94.728 -4.863 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.470 -3.941 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.363 -4.961 5.764 1.00 0.00 H new ATOM 0 HG LEU A 65 96.003 -2.278 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.212 -1.670 4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.340 -2.226 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 65 97.891 -3.313 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.919 -2.578 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.566 -4.233 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.370 -3.810 5.173 1.00 0.00 H new ATOM 1041 N SER A 66 96.513 -6.804 8.273 1.00 0.00 N ATOM 1042 CA SER A 66 96.851 -8.191 8.582 1.00 0.00 C ATOM 1043 C SER A 66 95.606 -8.975 8.993 1.00 0.00 C ATOM 1044 O SER A 66 95.646 -10.203 9.102 1.00 0.00 O ATOM 1045 CB SER A 66 97.883 -8.234 9.710 1.00 0.00 C ATOM 1046 OG SER A 66 98.180 -9.588 10.028 1.00 0.00 O ATOM 0 H SER A 66 96.825 -6.131 8.973 1.00 0.00 H new ATOM 0 HA SER A 66 97.270 -8.651 7.687 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.791 -7.713 9.407 1.00 0.00 H new ATOM 0 HB3 SER A 66 97.498 -7.718 10.590 1.00 0.00 H new ATOM 0 HG SER A 66 97.376 -10.136 9.910 1.00 0.00 H new ATOM 1052 N ASP A 67 94.500 -8.262 9.213 1.00 0.00 N ATOM 1053 CA ASP A 67 93.250 -8.908 9.604 1.00 0.00 C ATOM 1054 C ASP A 67 92.864 -9.963 8.570 1.00 0.00 C ATOM 1055 O ASP A 67 92.777 -11.151 8.881 1.00 0.00 O ATOM 1056 CB ASP A 67 92.131 -7.868 9.718 1.00 0.00 C ATOM 1057 CG ASP A 67 90.961 -8.439 10.516 1.00 0.00 C ATOM 1058 OD1 ASP A 67 90.277 -9.303 9.991 1.00 0.00 O ATOM 1059 OD2 ASP A 67 90.765 -8.003 11.638 1.00 0.00 O ATOM 0 H ASP A 67 94.446 -7.247 9.128 1.00 0.00 H new ATOM 0 HA ASP A 67 93.392 -9.387 10.573 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.508 -6.969 10.205 1.00 0.00 H new ATOM 0 HB3 ASP A 67 91.794 -7.575 8.724 1.00 0.00 H new ATOM 1064 N TYR A 68 92.644 -9.510 7.341 1.00 0.00 N ATOM 1065 CA TYR A 68 92.276 -10.408 6.253 1.00 0.00 C ATOM 1066 C TYR A 68 93.530 -10.994 5.602 1.00 0.00 C ATOM 1067 O TYR A 68 93.439 -11.783 4.661 1.00 0.00 O ATOM 1068 CB TYR A 68 91.452 -9.642 5.209 1.00 0.00 C ATOM 1069 CG TYR A 68 90.933 -10.601 4.162 1.00 0.00 C ATOM 1070 CD1 TYR A 68 89.935 -11.526 4.491 1.00 0.00 C ATOM 1071 CD2 TYR A 68 91.455 -10.567 2.862 1.00 0.00 C ATOM 1072 CE1 TYR A 68 89.458 -12.416 3.521 1.00 0.00 C ATOM 1073 CE2 TYR A 68 90.978 -11.457 1.893 1.00 0.00 C ATOM 1074 CZ TYR A 68 89.979 -12.382 2.223 1.00 0.00 C ATOM 1075 OH TYR A 68 89.512 -13.259 1.268 1.00 0.00 O ATOM 0 H TYR A 68 92.714 -8.528 7.073 1.00 0.00 H new ATOM 0 HA TYR A 68 91.678 -11.226 6.655 1.00 0.00 H new ATOM 0 HB2 TYR A 68 90.619 -9.132 5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.067 -8.874 4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 68 89.533 -11.553 5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 68 92.225 -9.854 2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.688 -13.129 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 68 91.380 -11.431 0.891 1.00 0.00 H new ATOM 0 HH TYR A 68 89.979 -13.100 0.421 1.00 0.00 H new ATOM 1085 N ASN A 69 94.698 -10.587 6.107 1.00 0.00 N ATOM 1086 CA ASN A 69 95.979 -11.054 5.574 1.00 0.00 C ATOM 1087 C ASN A 69 96.276 -10.349 4.252 1.00 0.00 C ATOM 1088 O ASN A 69 96.673 -10.975 3.268 1.00 0.00 O ATOM 1089 CB ASN A 69 95.970 -12.577 5.376 1.00 0.00 C ATOM 1090 CG ASN A 69 95.339 -13.262 6.586 1.00 0.00 C ATOM 1091 OD1 ASN A 69 95.802 -13.085 7.713 1.00 0.00 O ATOM 1092 ND2 ASN A 69 94.303 -14.038 6.417 1.00 0.00 N ATOM 0 H ASN A 69 94.782 -9.934 6.886 1.00 0.00 H new ATOM 0 HA ASN A 69 96.762 -10.813 6.293 1.00 0.00 H new ATOM 0 HB2 ASN A 69 95.413 -12.831 4.474 1.00 0.00 H new ATOM 0 HB3 ASN A 69 96.988 -12.939 5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 69 93.875 -14.499 7.220 1.00 0.00 H new ATOM 0 HD22 ASN A 69 93.921 -14.183 5.482 1.00 0.00 H new ATOM 1099 N ILE A 70 96.068 -9.036 4.252 1.00 0.00 N ATOM 1100 CA ILE A 70 96.300 -8.220 3.064 1.00 0.00 C ATOM 1101 C ILE A 70 97.777 -7.850 2.943 1.00 0.00 C ATOM 1102 O ILE A 70 98.451 -7.608 3.946 1.00 0.00 O ATOM 1103 CB ILE A 70 95.449 -6.947 3.141 1.00 0.00 C ATOM 1104 CG1 ILE A 70 93.959 -7.322 3.084 1.00 0.00 C ATOM 1105 CG2 ILE A 70 95.786 -6.023 1.967 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.186 -6.551 4.157 1.00 0.00 C ATOM 0 H ILE A 70 95.738 -8.513 5.063 1.00 0.00 H new ATOM 0 HA ILE A 70 96.016 -8.796 2.183 1.00 0.00 H new ATOM 0 HB ILE A 70 95.662 -6.431 4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 70 93.555 -7.093 2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 70 93.839 -8.395 3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.178 -5.121 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 70 96.841 -5.753 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 70 95.579 -6.537 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.131 -6.822 4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 70 93.582 -6.801 5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.294 -5.480 3.984 1.00 0.00 H new ATOM 1118 N GLN A 71 98.267 -7.806 1.706 1.00 0.00 N ATOM 1119 CA GLN A 71 99.662 -7.461 1.445 1.00 0.00 C ATOM 1120 C GLN A 71 99.760 -6.512 0.253 1.00 0.00 C ATOM 1121 O GLN A 71 98.745 -6.142 -0.339 1.00 0.00 O ATOM 1122 CB GLN A 71 100.469 -8.734 1.165 1.00 0.00 C ATOM 1123 CG GLN A 71 100.895 -9.375 2.489 1.00 0.00 C ATOM 1124 CD GLN A 71 102.000 -10.397 2.243 1.00 0.00 C ATOM 1125 OE1 GLN A 71 101.771 -11.601 2.356 1.00 0.00 O ATOM 1126 NE2 GLN A 71 103.194 -9.985 1.912 1.00 0.00 N ATOM 0 H GLN A 71 97.719 -8.005 0.869 1.00 0.00 H new ATOM 0 HA GLN A 71 100.070 -6.962 2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 71 99.870 -9.436 0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 71 101.348 -8.495 0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 71 101.246 -8.607 3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 71 100.039 -9.859 2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 71 103.381 -8.987 1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 71 103.939 -10.661 1.746 1.00 0.00 H new ATOM 1135 N ARG A 72 100.984 -6.115 -0.091 1.00 0.00 N ATOM 1136 CA ARG A 72 101.195 -5.201 -1.213 1.00 0.00 C ATOM 1137 C ARG A 72 100.505 -5.719 -2.476 1.00 0.00 C ATOM 1138 O ARG A 72 99.799 -4.975 -3.156 1.00 0.00 O ATOM 1139 CB ARG A 72 102.695 -5.016 -1.483 1.00 0.00 C ATOM 1140 CG ARG A 72 103.448 -6.319 -1.195 1.00 0.00 C ATOM 1141 CD ARG A 72 104.779 -6.318 -1.953 1.00 0.00 C ATOM 1142 NE ARG A 72 105.757 -7.153 -1.262 1.00 0.00 N ATOM 1143 CZ ARG A 72 105.495 -8.424 -0.969 1.00 0.00 C ATOM 1144 NH1 ARG A 72 104.891 -9.182 -1.842 1.00 0.00 N ATOM 1145 NH2 ARG A 72 105.841 -8.911 0.190 1.00 0.00 N ATOM 0 H ARG A 72 101.837 -6.408 0.385 1.00 0.00 H new ATOM 0 HA ARG A 72 100.759 -4.238 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 72 102.852 -4.718 -2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.088 -4.214 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 72 103.627 -6.419 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 72 102.845 -7.175 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.628 -6.687 -2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.156 -5.299 -2.038 1.00 0.00 H new ATOM 0 HE ARG A 72 106.658 -6.754 -0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 72 104.620 -8.800 -2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 72 104.690 -10.157 -1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 72 106.313 -8.317 0.872 1.00 0.00 H new ATOM 0 HH22 ARG A 72 105.640 -9.886 0.414 1.00 0.00 H new ATOM 1159 N GLU A 73 100.724 -6.995 -2.789 1.00 0.00 N ATOM 1160 CA GLU A 73 100.131 -7.601 -3.980 1.00 0.00 C ATOM 1161 C GLU A 73 98.637 -7.873 -3.782 1.00 0.00 C ATOM 1162 O GLU A 73 98.118 -8.889 -4.247 1.00 0.00 O ATOM 1163 CB GLU A 73 100.851 -8.912 -4.308 1.00 0.00 C ATOM 1164 CG GLU A 73 102.362 -8.666 -4.382 1.00 0.00 C ATOM 1165 CD GLU A 73 103.084 -9.956 -4.758 1.00 0.00 C ATOM 1166 OE1 GLU A 73 103.287 -10.777 -3.879 1.00 0.00 O ATOM 1167 OE2 GLU A 73 103.422 -10.105 -5.921 1.00 0.00 O ATOM 0 H GLU A 73 101.305 -7.627 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 73 100.244 -6.900 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.631 -9.660 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.490 -9.309 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.577 -7.892 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 73 102.727 -8.302 -3.421 1.00 0.00 H new ATOM 1174 N SER A 74 97.951 -6.960 -3.096 1.00 0.00 N ATOM 1175 CA SER A 74 96.519 -7.114 -2.849 1.00 0.00 C ATOM 1176 C SER A 74 95.737 -5.972 -3.490 1.00 0.00 C ATOM 1177 O SER A 74 96.193 -4.827 -3.509 1.00 0.00 O ATOM 1178 CB SER A 74 96.243 -7.138 -1.348 1.00 0.00 C ATOM 1179 OG SER A 74 94.891 -7.518 -1.125 1.00 0.00 O ATOM 0 H SER A 74 98.360 -6.112 -2.704 1.00 0.00 H new ATOM 0 HA SER A 74 96.197 -8.056 -3.292 1.00 0.00 H new ATOM 0 HB2 SER A 74 96.916 -7.839 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 74 96.433 -6.155 -0.916 1.00 0.00 H new ATOM 0 HG SER A 74 94.844 -8.123 -0.355 1.00 0.00 H new ATOM 1185 N THR A 75 94.552 -6.294 -4.004 1.00 0.00 N ATOM 1186 CA THR A 75 93.699 -5.294 -4.639 1.00 0.00 C ATOM 1187 C THR A 75 92.559 -4.904 -3.702 1.00 0.00 C ATOM 1188 O THR A 75 91.601 -5.658 -3.524 1.00 0.00 O ATOM 1189 CB THR A 75 93.131 -5.848 -5.952 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.196 -6.335 -6.756 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.387 -4.741 -6.705 1.00 0.00 C ATOM 0 H THR A 75 94.162 -7.237 -3.993 1.00 0.00 H new ATOM 0 HA THR A 75 94.296 -4.408 -4.855 1.00 0.00 H new ATOM 0 HB THR A 75 92.437 -6.659 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.836 -6.691 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.986 -5.141 -7.636 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.569 -4.368 -6.088 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.076 -3.926 -6.927 1.00 0.00 H new ATOM 1199 N LEU A 76 92.678 -3.723 -3.103 1.00 0.00 N ATOM 1200 CA LEU A 76 91.662 -3.234 -2.177 1.00 0.00 C ATOM 1201 C LEU A 76 90.535 -2.532 -2.927 1.00 0.00 C ATOM 1202 O LEU A 76 90.720 -2.059 -4.048 1.00 0.00 O ATOM 1203 CB LEU A 76 92.290 -2.259 -1.176 1.00 0.00 C ATOM 1204 CG LEU A 76 92.327 -2.900 0.216 1.00 0.00 C ATOM 1205 CD1 LEU A 76 93.386 -4.006 0.246 1.00 0.00 C ATOM 1206 CD2 LEU A 76 92.672 -1.834 1.259 1.00 0.00 C ATOM 0 H LEU A 76 93.465 -3.089 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 76 91.249 -4.091 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.299 -1.997 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 76 91.715 -1.333 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 76 91.351 -3.329 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 76 93.410 -4.460 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 76 93.139 -4.766 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 76 94.363 -3.580 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 76 92.699 -2.289 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 76 93.647 -1.404 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 76 91.916 -1.049 1.241 1.00 0.00 H new ATOM 1218 N HIS A 77 89.371 -2.467 -2.288 1.00 0.00 N ATOM 1219 CA HIS A 77 88.207 -1.818 -2.878 1.00 0.00 C ATOM 1220 C HIS A 77 87.791 -0.629 -2.018 1.00 0.00 C ATOM 1221 O HIS A 77 87.254 -0.802 -0.921 1.00 0.00 O ATOM 1222 CB HIS A 77 87.052 -2.817 -2.982 1.00 0.00 C ATOM 1223 CG HIS A 77 87.371 -3.856 -4.024 1.00 0.00 C ATOM 1224 ND1 HIS A 77 88.560 -4.568 -4.021 1.00 0.00 N ATOM 1225 CD2 HIS A 77 86.665 -4.314 -5.108 1.00 0.00 C ATOM 1226 CE1 HIS A 77 88.535 -5.407 -5.072 1.00 0.00 C ATOM 1227 NE2 HIS A 77 87.401 -5.293 -5.768 1.00 0.00 N ATOM 0 H HIS A 77 89.209 -2.857 -1.359 1.00 0.00 H new ATOM 0 HA HIS A 77 88.461 -1.465 -3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 77 86.884 -3.295 -2.017 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.131 -2.296 -3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 77 85.686 -3.967 -5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 77 89.334 -6.089 -5.322 1.00 0.00 H new ATOM 0 HE2 HIS A 77 87.132 -5.812 -6.604 1.00 0.00 H new ATOM 1235 N LEU A 78 88.040 0.577 -2.521 1.00 0.00 N ATOM 1236 CA LEU A 78 87.697 1.799 -1.800 1.00 0.00 C ATOM 1237 C LEU A 78 86.418 2.407 -2.371 1.00 0.00 C ATOM 1238 O LEU A 78 86.256 2.504 -3.588 1.00 0.00 O ATOM 1239 CB LEU A 78 88.858 2.799 -1.921 1.00 0.00 C ATOM 1240 CG LEU A 78 88.424 4.200 -1.469 1.00 0.00 C ATOM 1241 CD1 LEU A 78 88.172 4.207 0.042 1.00 0.00 C ATOM 1242 CD2 LEU A 78 89.534 5.204 -1.806 1.00 0.00 C ATOM 0 H LEU A 78 88.479 0.734 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 78 87.528 1.564 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 78 89.699 2.461 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.204 2.837 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 78 87.505 4.477 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 78 87.864 5.205 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 78 87.385 3.492 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 78 89.087 3.929 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 78 89.231 6.201 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 78 90.451 4.920 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 78 89.710 5.205 -2.882 1.00 0.00 H new ATOM 1254 N VAL A 79 85.518 2.819 -1.481 1.00 0.00 N ATOM 1255 CA VAL A 79 84.257 3.423 -1.901 1.00 0.00 C ATOM 1256 C VAL A 79 84.260 4.919 -1.597 1.00 0.00 C ATOM 1257 O VAL A 79 84.201 5.326 -0.435 1.00 0.00 O ATOM 1258 CB VAL A 79 83.085 2.749 -1.178 1.00 0.00 C ATOM 1259 CG1 VAL A 79 81.795 3.530 -1.444 1.00 0.00 C ATOM 1260 CG2 VAL A 79 82.922 1.315 -1.693 1.00 0.00 C ATOM 0 H VAL A 79 85.638 2.746 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 79 84.143 3.281 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 79 83.286 2.734 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 79 80.965 3.048 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 79 81.906 4.551 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 79 81.595 3.548 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.089 0.836 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 79 82.725 1.334 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.837 0.754 -1.502 1.00 0.00 H new ATOM 1270 N LEU A 80 84.328 5.730 -2.649 1.00 0.00 N ATOM 1271 CA LEU A 80 84.337 7.181 -2.490 1.00 0.00 C ATOM 1272 C LEU A 80 82.950 7.680 -2.091 1.00 0.00 C ATOM 1273 O LEU A 80 82.054 7.793 -2.931 1.00 0.00 O ATOM 1274 CB LEU A 80 84.773 7.846 -3.803 1.00 0.00 C ATOM 1275 CG LEU A 80 86.203 8.378 -3.662 1.00 0.00 C ATOM 1276 CD1 LEU A 80 87.189 7.209 -3.639 1.00 0.00 C ATOM 1277 CD2 LEU A 80 86.526 9.297 -4.844 1.00 0.00 C ATOM 0 H LEU A 80 84.377 5.409 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 80 85.043 7.443 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 80 84.721 7.127 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.094 8.662 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 80 86.288 8.939 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.205 7.592 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.962 6.558 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 80 87.104 6.643 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.543 9.675 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.437 8.737 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 80 85.827 10.134 -4.856 1.00 0.00 H new ATOM 1289 N ARG A 81 82.781 7.974 -0.805 1.00 0.00 N ATOM 1290 CA ARG A 81 81.500 8.458 -0.298 1.00 0.00 C ATOM 1291 C ARG A 81 81.244 9.887 -0.764 1.00 0.00 C ATOM 1292 O ARG A 81 82.153 10.718 -0.775 1.00 0.00 O ATOM 1293 CB ARG A 81 81.484 8.407 1.232 1.00 0.00 C ATOM 1294 CG ARG A 81 80.070 8.089 1.722 1.00 0.00 C ATOM 1295 CD ARG A 81 79.941 8.470 3.199 1.00 0.00 C ATOM 1296 NE ARG A 81 79.101 7.501 3.898 1.00 0.00 N ATOM 1297 CZ ARG A 81 78.667 7.725 5.136 1.00 0.00 C ATOM 1298 NH1 ARG A 81 79.292 8.572 5.908 1.00 0.00 N ATOM 1299 NH2 ARG A 81 77.616 7.092 5.580 1.00 0.00 N ATOM 0 H ARG A 81 83.511 7.886 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 81 80.713 7.813 -0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 81 82.182 7.649 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 81 81.815 9.362 1.641 1.00 0.00 H new ATOM 0 HG2 ARG A 81 79.337 8.636 1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 81 79.858 7.028 1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 81 80.928 8.506 3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 81 79.510 9.467 3.289 1.00 0.00 H new ATOM 0 HE ARG A 81 78.841 6.634 3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 81 80.116 9.065 5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 81 78.957 8.741 6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 81 77.129 6.427 4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 81 77.281 7.262 6.528 1.00 0.00 H new ATOM 1313 N LEU A 82 80.004 10.167 -1.149 1.00 0.00 N ATOM 1314 CA LEU A 82 79.640 11.500 -1.614 1.00 0.00 C ATOM 1315 C LEU A 82 79.335 12.413 -0.430 1.00 0.00 C ATOM 1316 O LEU A 82 78.526 12.075 0.435 1.00 0.00 O ATOM 1317 CB LEU A 82 78.413 11.420 -2.533 1.00 0.00 C ATOM 1318 CG LEU A 82 78.815 11.744 -3.978 1.00 0.00 C ATOM 1319 CD1 LEU A 82 79.407 13.157 -4.048 1.00 0.00 C ATOM 1320 CD2 LEU A 82 79.852 10.725 -4.467 1.00 0.00 C ATOM 0 H LEU A 82 79.238 9.493 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 82 80.481 11.913 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 82 77.976 10.423 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 82 77.649 12.120 -2.194 1.00 0.00 H new ATOM 0 HG LEU A 82 77.932 11.693 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 82 79.691 13.382 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 82 78.664 13.880 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 82 80.287 13.215 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 82 80.135 10.958 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 82 80.734 10.769 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 82 79.424 9.723 -4.427 1.00 0.00 H new ATOM 1332 N ARG A 83 79.985 13.574 -0.404 1.00 0.00 N ATOM 1333 CA ARG A 83 79.774 14.539 0.673 1.00 0.00 C ATOM 1334 C ARG A 83 78.304 14.947 0.737 1.00 0.00 C ATOM 1335 O ARG A 83 77.828 15.432 1.764 1.00 0.00 O ATOM 1336 CB ARG A 83 80.645 15.781 0.447 1.00 0.00 C ATOM 1337 CG ARG A 83 80.619 16.170 -1.036 1.00 0.00 C ATOM 1338 CD ARG A 83 81.023 17.639 -1.191 1.00 0.00 C ATOM 1339 NE ARG A 83 79.915 18.511 -0.815 1.00 0.00 N ATOM 1340 CZ ARG A 83 79.830 19.755 -1.275 1.00 0.00 C ATOM 1341 NH1 ARG A 83 80.461 20.720 -0.664 1.00 0.00 N ATOM 1342 NH2 ARG A 83 79.115 20.011 -2.334 1.00 0.00 N ATOM 0 H ARG A 83 80.658 13.869 -1.111 1.00 0.00 H new ATOM 0 HA ARG A 83 80.055 14.072 1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 83 80.280 16.608 1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 83 81.669 15.581 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 83 81.300 15.534 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 83 79.622 16.012 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 83 81.891 17.852 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 83 81.316 17.836 -2.222 1.00 0.00 H new ATOM 0 HE ARG A 83 79.192 18.159 -0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 83 81.019 20.519 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 83 80.396 21.675 -1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 83 78.620 19.257 -2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 83 79.050 20.966 -2.687 1.00 0.00 H new ATOM 1356 N GLY A 84 77.594 14.741 -0.370 1.00 0.00 N ATOM 1357 CA GLY A 84 76.178 15.080 -0.445 1.00 0.00 C ATOM 1358 C GLY A 84 75.518 14.371 -1.623 1.00 0.00 C ATOM 1359 O GLY A 84 75.893 14.585 -2.776 1.00 0.00 O ATOM 0 H GLY A 84 77.977 14.341 -1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 84 75.681 14.796 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 84 76.062 16.159 -0.551 1.00 0.00 H new ATOM 1363 N GLY A 85 74.535 13.522 -1.323 1.00 0.00 N ATOM 1364 CA GLY A 85 73.827 12.779 -2.362 1.00 0.00 C ATOM 1365 C GLY A 85 73.146 13.728 -3.344 1.00 0.00 C ATOM 1366 O GLY A 85 72.029 14.188 -3.104 1.00 0.00 O ATOM 0 H GLY A 85 74.213 13.333 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 85 74.527 12.137 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 85 73.083 12.127 -1.905 1.00 0.00 H new ATOM 1370 N SER A 86 73.830 14.015 -4.449 1.00 0.00 N ATOM 1371 CA SER A 86 73.291 14.913 -5.467 1.00 0.00 C ATOM 1372 C SER A 86 73.963 14.659 -6.815 1.00 0.00 C ATOM 1373 O SER A 86 73.510 15.159 -7.847 1.00 0.00 O ATOM 1374 CB SER A 86 73.513 16.368 -5.049 1.00 0.00 C ATOM 1375 OG SER A 86 72.963 17.231 -6.037 1.00 0.00 O ATOM 0 H SER A 86 74.755 13.641 -4.662 1.00 0.00 H new ATOM 0 HA SER A 86 72.222 14.723 -5.565 1.00 0.00 H new ATOM 0 HB2 SER A 86 73.044 16.556 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 86 74.578 16.565 -4.930 1.00 0.00 H new ATOM 0 HG SER A 86 72.844 16.736 -6.874 1.00 0.00 H new ATOM 1381 N MET A 87 75.042 13.878 -6.799 1.00 0.00 N ATOM 1382 CA MET A 87 75.769 13.564 -8.027 1.00 0.00 C ATOM 1383 C MET A 87 74.860 12.843 -9.019 1.00 0.00 C ATOM 1384 O MET A 87 74.953 13.056 -10.228 1.00 0.00 O ATOM 1385 CB MET A 87 76.984 12.684 -7.706 1.00 0.00 C ATOM 1386 CG MET A 87 78.226 13.251 -8.398 1.00 0.00 C ATOM 1387 SD MET A 87 79.676 12.275 -7.926 1.00 0.00 S ATOM 1388 CE MET A 87 80.869 13.635 -7.892 1.00 0.00 C ATOM 0 H MET A 87 75.430 13.454 -5.956 1.00 0.00 H new ATOM 0 HA MET A 87 76.107 14.498 -8.476 1.00 0.00 H new ATOM 0 HB2 MET A 87 77.142 12.644 -6.628 1.00 0.00 H new ATOM 0 HB3 MET A 87 76.804 11.662 -8.040 1.00 0.00 H new ATOM 0 HG2 MET A 87 78.095 13.228 -9.480 1.00 0.00 H new ATOM 0 HG3 MET A 87 78.369 14.294 -8.116 1.00 0.00 H new ATOM 0 HE1 MET A 87 81.851 13.251 -7.618 1.00 0.00 H new ATOM 0 HE2 MET A 87 80.923 14.097 -8.878 1.00 0.00 H new ATOM 0 HE3 MET A 87 80.553 14.378 -7.160 1.00 0.00 H new ATOM 1398 N GLY A 88 73.979 11.991 -8.494 1.00 0.00 N ATOM 1399 CA GLY A 88 73.052 11.239 -9.335 1.00 0.00 C ATOM 1400 C GLY A 88 73.795 10.264 -10.243 1.00 0.00 C ATOM 1401 O GLY A 88 73.206 9.682 -11.156 1.00 0.00 O ATOM 0 H GLY A 88 73.889 11.806 -7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 88 72.350 10.691 -8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 88 72.466 11.929 -9.941 1.00 0.00 H new ATOM 1405 N GLY A 89 75.090 10.090 -9.987 1.00 0.00 N ATOM 1406 CA GLY A 89 75.906 9.183 -10.788 1.00 0.00 C ATOM 1407 C GLY A 89 75.861 7.767 -10.226 1.00 0.00 C ATOM 1408 O GLY A 89 74.844 7.338 -9.677 1.00 0.00 O ATOM 0 H GLY A 89 75.593 10.562 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 89 75.549 9.181 -11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 89 76.937 9.537 -10.808 1.00 0.00 H new ATOM 1412 N ALA A 90 76.971 7.047 -10.365 1.00 0.00 N ATOM 1413 CA ALA A 90 77.056 5.678 -9.868 1.00 0.00 C ATOM 1414 C ALA A 90 77.160 5.670 -8.344 1.00 0.00 C ATOM 1415 O ALA A 90 76.484 4.891 -7.670 1.00 0.00 O ATOM 1416 CB ALA A 90 78.276 4.979 -10.475 1.00 0.00 C ATOM 0 H ALA A 90 77.820 7.387 -10.816 1.00 0.00 H new ATOM 0 HA ALA A 90 76.152 5.144 -10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 90 78.334 3.957 -10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 90 78.183 4.962 -11.561 1.00 0.00 H new ATOM 0 HB3 ALA A 90 79.181 5.519 -10.197 1.00 0.00 H new ATOM 1422 N ALA A 91 78.010 6.544 -7.811 1.00 0.00 N ATOM 1423 CA ALA A 91 78.201 6.641 -6.367 1.00 0.00 C ATOM 1424 C ALA A 91 77.475 7.868 -5.821 1.00 0.00 C ATOM 1425 O ALA A 91 77.572 8.955 -6.394 1.00 0.00 O ATOM 1426 CB ALA A 91 79.694 6.745 -6.048 1.00 0.00 C ATOM 0 H ALA A 91 78.576 7.194 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 91 77.791 5.747 -5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 91 79.831 6.817 -4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.208 5.859 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.107 7.633 -6.527 1.00 0.00 H new ATOM 1432 N ASP A 92 76.744 7.691 -4.719 1.00 0.00 N ATOM 1433 CA ASP A 92 76.003 8.802 -4.120 1.00 0.00 C ATOM 1434 C ASP A 92 75.794 8.586 -2.622 1.00 0.00 C ATOM 1435 O ASP A 92 74.669 8.681 -2.128 1.00 0.00 O ATOM 1436 CB ASP A 92 74.639 8.946 -4.800 1.00 0.00 C ATOM 1437 CG ASP A 92 74.818 9.342 -6.264 1.00 0.00 C ATOM 1438 OD1 ASP A 92 75.116 10.498 -6.511 1.00 0.00 O ATOM 1439 OD2 ASP A 92 74.658 8.484 -7.117 1.00 0.00 O ATOM 0 H ASP A 92 76.650 6.802 -4.229 1.00 0.00 H new ATOM 0 HA ASP A 92 76.590 9.709 -4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.091 8.006 -4.734 1.00 0.00 H new ATOM 0 HB3 ASP A 92 74.044 9.699 -4.282 1.00 0.00 H new ATOM 1444 N GLU A 93 76.880 8.307 -1.903 1.00 0.00 N ATOM 1445 CA GLU A 93 76.797 8.090 -0.458 1.00 0.00 C ATOM 1446 C GLU A 93 75.599 7.204 -0.118 1.00 0.00 C ATOM 1447 O GLU A 93 74.612 7.675 0.448 1.00 0.00 O ATOM 1448 CB GLU A 93 76.672 9.438 0.259 1.00 0.00 C ATOM 1449 CG GLU A 93 76.904 9.253 1.764 1.00 0.00 C ATOM 1450 CD GLU A 93 75.624 9.561 2.537 1.00 0.00 C ATOM 1451 OE1 GLU A 93 75.229 10.715 2.553 1.00 0.00 O ATOM 1452 OE2 GLU A 93 75.057 8.639 3.101 1.00 0.00 O ATOM 0 H GLU A 93 77.820 8.226 -2.292 1.00 0.00 H new ATOM 0 HA GLU A 93 77.705 7.587 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 93 77.398 10.143 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.683 9.862 0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 93 77.223 8.231 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 93 77.707 9.910 2.099 1.00 0.00 H new ATOM 1459 N GLU A 94 75.711 5.920 -0.468 1.00 0.00 N ATOM 1460 CA GLU A 94 74.656 4.931 -0.216 1.00 0.00 C ATOM 1461 C GLU A 94 74.689 3.855 -1.298 1.00 0.00 C ATOM 1462 O GLU A 94 75.122 2.727 -1.058 1.00 0.00 O ATOM 1463 CB GLU A 94 73.266 5.590 -0.194 1.00 0.00 C ATOM 1464 CG GLU A 94 72.173 4.518 -0.273 1.00 0.00 C ATOM 1465 CD GLU A 94 70.814 5.139 0.036 1.00 0.00 C ATOM 1466 OE1 GLU A 94 70.511 5.301 1.206 1.00 0.00 O ATOM 1467 OE2 GLU A 94 70.097 5.444 -0.903 1.00 0.00 O ATOM 0 H GLU A 94 76.533 5.536 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 94 74.840 4.483 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.147 6.175 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.169 6.281 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 94 72.161 4.071 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 94 72.386 3.716 0.434 1.00 0.00 H new ATOM 1474 N GLU A 95 74.219 4.222 -2.486 1.00 0.00 N ATOM 1475 CA GLU A 95 74.180 3.301 -3.618 1.00 0.00 C ATOM 1476 C GLU A 95 75.586 2.882 -4.049 1.00 0.00 C ATOM 1477 O GLU A 95 75.742 1.979 -4.869 1.00 0.00 O ATOM 1478 CB GLU A 95 73.455 3.956 -4.799 1.00 0.00 C ATOM 1479 CG GLU A 95 74.154 5.265 -5.178 1.00 0.00 C ATOM 1480 CD GLU A 95 73.439 5.911 -6.362 1.00 0.00 C ATOM 1481 OE1 GLU A 95 72.476 6.623 -6.130 1.00 0.00 O ATOM 1482 OE2 GLU A 95 73.865 5.686 -7.482 1.00 0.00 O ATOM 0 H GLU A 95 73.859 5.154 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 95 73.641 2.408 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 95 73.446 3.278 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 95 72.415 4.152 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 95 74.156 5.946 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.196 5.071 -5.433 1.00 0.00 H new ATOM 1489 N LEU A 96 76.602 3.543 -3.497 1.00 0.00 N ATOM 1490 CA LEU A 96 77.989 3.228 -3.841 1.00 0.00 C ATOM 1491 C LEU A 96 78.486 1.990 -3.094 1.00 0.00 C ATOM 1492 O LEU A 96 79.534 1.439 -3.431 1.00 0.00 O ATOM 1493 CB LEU A 96 78.908 4.416 -3.524 1.00 0.00 C ATOM 1494 CG LEU A 96 78.382 5.208 -2.320 1.00 0.00 C ATOM 1495 CD1 LEU A 96 78.303 4.302 -1.086 1.00 0.00 C ATOM 1496 CD2 LEU A 96 79.334 6.367 -2.032 1.00 0.00 C ATOM 0 H LEU A 96 76.494 4.294 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 96 78.017 3.022 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 96 79.916 4.056 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.976 5.070 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 96 77.386 5.587 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 96 77.928 4.875 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 96 77.629 3.470 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 96 79.296 3.916 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 96 78.967 6.935 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 96 80.327 5.976 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 96 79.389 7.018 -2.904 1.00 0.00 H new ATOM 1508 N ILE A 97 77.736 1.557 -2.084 1.00 0.00 N ATOM 1509 CA ILE A 97 78.126 0.380 -1.309 1.00 0.00 C ATOM 1510 C ILE A 97 77.447 -0.869 -1.866 1.00 0.00 C ATOM 1511 O ILE A 97 78.101 -1.885 -2.102 1.00 0.00 O ATOM 1512 CB ILE A 97 77.758 0.578 0.172 1.00 0.00 C ATOM 1513 CG1 ILE A 97 78.905 1.304 0.889 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.523 -0.780 0.847 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.333 2.301 1.900 1.00 0.00 C ATOM 0 H ILE A 97 76.865 1.996 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 97 79.205 0.249 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 97 76.845 1.170 0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.544 0.582 1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.529 1.825 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.263 -0.626 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 97 76.708 -1.300 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.431 -1.380 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.150 2.814 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 97 77.713 3.031 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 97 77.728 1.768 2.634 1.00 0.00 H new ATOM 1527 N ARG A 98 76.136 -0.787 -2.076 1.00 0.00 N ATOM 1528 CA ARG A 98 75.382 -1.919 -2.606 1.00 0.00 C ATOM 1529 C ARG A 98 75.826 -2.244 -4.031 1.00 0.00 C ATOM 1530 O ARG A 98 75.856 -3.409 -4.430 1.00 0.00 O ATOM 1531 CB ARG A 98 73.882 -1.605 -2.593 1.00 0.00 C ATOM 1532 CG ARG A 98 73.598 -0.389 -3.483 1.00 0.00 C ATOM 1533 CD ARG A 98 72.150 0.066 -3.287 1.00 0.00 C ATOM 1534 NE ARG A 98 71.230 -0.965 -3.755 1.00 0.00 N ATOM 1535 CZ ARG A 98 70.271 -1.443 -2.967 1.00 0.00 C ATOM 1536 NH1 ARG A 98 70.552 -2.351 -2.074 1.00 0.00 N ATOM 1537 NH2 ARG A 98 69.049 -1.004 -3.089 1.00 0.00 N ATOM 0 H ARG A 98 75.577 0.045 -1.889 1.00 0.00 H new ATOM 0 HA ARG A 98 75.576 -2.785 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.318 -2.467 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 98 73.552 -1.406 -1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.281 0.423 -3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 98 73.771 -0.643 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 98 71.967 0.276 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 98 71.976 0.994 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 98 71.324 -1.326 -4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 98 71.508 -2.695 -1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 98 69.816 -2.717 -1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 98 68.829 -0.295 -3.788 1.00 0.00 H new ATOM 0 HH22 ARG A 98 68.313 -1.370 -2.485 1.00 0.00 H new ATOM 1551 N LYS A 99 76.172 -1.206 -4.790 1.00 0.00 N ATOM 1552 CA LYS A 99 76.614 -1.392 -6.168 1.00 0.00 C ATOM 1553 C LYS A 99 78.058 -1.879 -6.202 1.00 0.00 C ATOM 1554 O LYS A 99 78.463 -2.575 -7.128 1.00 0.00 O ATOM 1555 CB LYS A 99 76.481 -0.077 -6.950 1.00 0.00 C ATOM 1556 CG LYS A 99 77.691 0.824 -6.678 1.00 0.00 C ATOM 1557 CD LYS A 99 77.586 2.095 -7.529 1.00 0.00 C ATOM 1558 CE LYS A 99 78.421 1.932 -8.801 1.00 0.00 C ATOM 1559 NZ LYS A 99 77.578 1.340 -9.877 1.00 0.00 N ATOM 0 H LYS A 99 76.155 -0.236 -4.476 1.00 0.00 H new ATOM 0 HA LYS A 99 75.981 -2.146 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.406 -0.286 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 99 75.564 0.436 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 99 77.733 1.085 -5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 99 78.613 0.292 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.545 2.286 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 99 77.937 2.956 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.810 2.899 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 99 79.281 1.292 -8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 77.911 1.675 -10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 77.645 0.303 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 76.588 1.628 -9.740 1.00 0.00 H new ATOM 1573 N ALA A 100 78.826 -1.525 -5.174 1.00 0.00 N ATOM 1574 CA ALA A 100 80.218 -1.950 -5.094 1.00 0.00 C ATOM 1575 C ALA A 100 80.284 -3.382 -4.586 1.00 0.00 C ATOM 1576 O ALA A 100 81.141 -4.163 -4.999 1.00 0.00 O ATOM 1577 CB ALA A 100 80.998 -1.033 -4.150 1.00 0.00 C ATOM 0 H ALA A 100 78.510 -0.950 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 100 80.663 -1.894 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.036 -1.361 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 100 80.959 -0.009 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 100 80.555 -1.074 -3.155 1.00 0.00 H new ATOM 1583 N ILE A 101 79.353 -3.715 -3.696 1.00 0.00 N ATOM 1584 CA ILE A 101 79.282 -5.053 -3.128 1.00 0.00 C ATOM 1585 C ILE A 101 78.887 -6.069 -4.201 1.00 0.00 C ATOM 1586 O ILE A 101 79.353 -7.208 -4.193 1.00 0.00 O ATOM 1587 CB ILE A 101 78.253 -5.077 -1.986 1.00 0.00 C ATOM 1588 CG1 ILE A 101 78.891 -4.501 -0.716 1.00 0.00 C ATOM 1589 CG2 ILE A 101 77.798 -6.519 -1.720 1.00 0.00 C ATOM 1590 CD1 ILE A 101 77.803 -4.206 0.319 1.00 0.00 C ATOM 0 H ILE A 101 78.637 -3.074 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 101 80.264 -5.321 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 101 77.389 -4.477 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 101 79.613 -5.208 -0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 101 79.438 -3.588 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.069 -6.527 -0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 101 77.343 -6.929 -2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 101 78.659 -7.126 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 101 78.260 -3.797 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.098 -3.483 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 101 77.276 -5.128 0.566 1.00 0.00 H new ATOM 1602 N GLU A 102 77.994 -5.657 -5.098 1.00 0.00 N ATOM 1603 CA GLU A 102 77.501 -6.542 -6.145 1.00 0.00 C ATOM 1604 C GLU A 102 78.286 -6.433 -7.460 1.00 0.00 C ATOM 1605 O GLU A 102 78.310 -7.386 -8.240 1.00 0.00 O ATOM 1606 CB GLU A 102 76.032 -6.211 -6.411 1.00 0.00 C ATOM 1607 CG GLU A 102 75.332 -7.429 -7.011 1.00 0.00 C ATOM 1608 CD GLU A 102 75.253 -8.557 -5.983 1.00 0.00 C ATOM 1609 OE1 GLU A 102 74.727 -8.319 -4.908 1.00 0.00 O ATOM 1610 OE2 GLU A 102 75.721 -9.643 -6.287 1.00 0.00 O ATOM 0 H GLU A 102 77.599 -4.717 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 102 77.628 -7.564 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 102 75.541 -5.918 -5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 102 75.957 -5.364 -7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 102 74.329 -7.156 -7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 102 75.873 -7.770 -7.894 1.00 0.00 H new ATOM 1617 N LEU A 103 78.890 -5.276 -7.732 1.00 0.00 N ATOM 1618 CA LEU A 103 79.614 -5.101 -8.996 1.00 0.00 C ATOM 1619 C LEU A 103 81.132 -5.326 -8.881 1.00 0.00 C ATOM 1620 O LEU A 103 81.702 -6.076 -9.674 1.00 0.00 O ATOM 1621 CB LEU A 103 79.285 -3.721 -9.612 1.00 0.00 C ATOM 1622 CG LEU A 103 80.388 -2.687 -9.338 1.00 0.00 C ATOM 1623 CD1 LEU A 103 81.517 -2.848 -10.364 1.00 0.00 C ATOM 1624 CD2 LEU A 103 79.798 -1.277 -9.459 1.00 0.00 C ATOM 0 H LEU A 103 78.895 -4.464 -7.114 1.00 0.00 H new ATOM 0 HA LEU A 103 79.264 -5.884 -9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 103 79.149 -3.828 -10.688 1.00 0.00 H new ATOM 0 HB3 LEU A 103 78.341 -3.359 -9.206 1.00 0.00 H new ATOM 0 HG LEU A 103 80.785 -2.841 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 103 82.297 -2.113 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 103 81.937 -3.851 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 103 81.121 -2.695 -11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 103 80.576 -0.539 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 103 79.403 -1.133 -10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 103 78.994 -1.155 -8.733 1.00 0.00 H new ATOM 1636 N SER A 104 81.792 -4.648 -7.942 1.00 0.00 N ATOM 1637 CA SER A 104 83.250 -4.767 -7.814 1.00 0.00 C ATOM 1638 C SER A 104 83.661 -5.770 -6.746 1.00 0.00 C ATOM 1639 O SER A 104 84.825 -6.167 -6.679 1.00 0.00 O ATOM 1640 CB SER A 104 83.850 -3.401 -7.472 1.00 0.00 C ATOM 1641 OG SER A 104 83.275 -2.922 -6.263 1.00 0.00 O ATOM 0 H SER A 104 81.353 -4.021 -7.268 1.00 0.00 H new ATOM 0 HA SER A 104 83.628 -5.126 -8.771 1.00 0.00 H new ATOM 0 HB2 SER A 104 84.932 -3.483 -7.366 1.00 0.00 H new ATOM 0 HB3 SER A 104 83.662 -2.696 -8.282 1.00 0.00 H new ATOM 0 HG SER A 104 82.625 -3.575 -5.929 1.00 0.00 H new ATOM 1647 N LEU A 105 82.720 -6.160 -5.905 1.00 0.00 N ATOM 1648 CA LEU A 105 83.019 -7.097 -4.833 1.00 0.00 C ATOM 1649 C LEU A 105 82.774 -8.540 -5.266 1.00 0.00 C ATOM 1650 O LEU A 105 83.416 -9.461 -4.761 1.00 0.00 O ATOM 1651 CB LEU A 105 82.157 -6.754 -3.622 1.00 0.00 C ATOM 1652 CG LEU A 105 82.974 -5.962 -2.589 1.00 0.00 C ATOM 1653 CD1 LEU A 105 84.241 -6.734 -2.214 1.00 0.00 C ATOM 1654 CD2 LEU A 105 83.364 -4.598 -3.170 1.00 0.00 C ATOM 0 H LEU A 105 81.750 -5.847 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 105 84.075 -7.010 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 105 81.293 -6.169 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 105 81.775 -7.669 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 105 82.365 -5.818 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 105 84.812 -6.163 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 105 83.966 -7.699 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 105 84.849 -6.891 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 105 83.943 -4.041 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 105 83.964 -4.743 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 105 82.463 -4.039 -3.422 1.00 0.00 H new ATOM 1666 N LYS A 106 81.861 -8.732 -6.215 1.00 0.00 N ATOM 1667 CA LYS A 106 81.569 -10.073 -6.715 1.00 0.00 C ATOM 1668 C LYS A 106 82.549 -10.421 -7.821 1.00 0.00 C ATOM 1669 O LYS A 106 82.835 -11.590 -8.081 1.00 0.00 O ATOM 1670 CB LYS A 106 80.139 -10.142 -7.257 1.00 0.00 C ATOM 1671 CG LYS A 106 79.170 -9.543 -6.235 1.00 0.00 C ATOM 1672 CD LYS A 106 79.522 -10.047 -4.833 1.00 0.00 C ATOM 1673 CE LYS A 106 78.299 -9.933 -3.918 1.00 0.00 C ATOM 1674 NZ LYS A 106 77.448 -11.149 -4.070 1.00 0.00 N ATOM 0 H LYS A 106 81.317 -7.986 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 106 81.667 -10.785 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 106 80.070 -9.598 -8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 106 79.869 -11.177 -7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 106 79.222 -8.455 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 106 78.146 -9.820 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 106 79.855 -11.084 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 106 80.349 -9.466 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 106 78.616 -9.826 -2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 106 77.725 -9.041 -4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 76.939 -11.329 -3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 76.763 -10.999 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 78.049 -11.967 -4.297 1.00 0.00 H new ATOM 1688 N GLU A 107 83.066 -9.379 -8.459 1.00 0.00 N ATOM 1689 CA GLU A 107 84.026 -9.537 -9.537 1.00 0.00 C ATOM 1690 C GLU A 107 85.400 -9.876 -8.967 1.00 0.00 C ATOM 1691 O GLU A 107 86.187 -10.585 -9.594 1.00 0.00 O ATOM 1692 CB GLU A 107 84.093 -8.236 -10.333 1.00 0.00 C ATOM 1693 CG GLU A 107 85.003 -8.410 -11.557 1.00 0.00 C ATOM 1694 CD GLU A 107 86.428 -7.972 -11.224 1.00 0.00 C ATOM 1695 OE1 GLU A 107 86.600 -6.834 -10.817 1.00 0.00 O ATOM 1696 OE2 GLU A 107 87.328 -8.781 -11.380 1.00 0.00 O ATOM 0 H GLU A 107 82.833 -8.410 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 107 83.714 -10.351 -10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 107 83.092 -7.945 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 107 84.472 -7.433 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 107 85.001 -9.452 -11.875 1.00 0.00 H new ATOM 0 HG3 GLU A 107 84.620 -7.821 -12.390 1.00 0.00 H new ATOM 1703 N SER A 108 85.675 -9.366 -7.766 1.00 0.00 N ATOM 1704 CA SER A 108 86.952 -9.619 -7.106 1.00 0.00 C ATOM 1705 C SER A 108 87.171 -11.119 -6.929 1.00 0.00 C ATOM 1706 O SER A 108 88.309 -11.591 -6.920 1.00 0.00 O ATOM 1707 CB SER A 108 86.981 -8.934 -5.740 1.00 0.00 C ATOM 1708 OG SER A 108 88.287 -9.041 -5.190 1.00 0.00 O ATOM 0 H SER A 108 85.033 -8.778 -7.234 1.00 0.00 H new ATOM 0 HA SER A 108 87.749 -9.215 -7.730 1.00 0.00 H new ATOM 0 HB2 SER A 108 86.701 -7.885 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 108 86.254 -9.396 -5.073 1.00 0.00 H new ATOM 0 HG SER A 108 88.246 -8.905 -4.220 1.00 0.00 H new ATOM 1714 N ARG A 109 86.073 -11.864 -6.798 1.00 0.00 N ATOM 1715 CA ARG A 109 86.154 -13.312 -6.632 1.00 0.00 C ATOM 1716 C ARG A 109 86.904 -13.928 -7.808 1.00 0.00 C ATOM 1717 O ARG A 109 87.703 -14.850 -7.636 1.00 0.00 O ATOM 1718 CB ARG A 109 84.748 -13.912 -6.547 1.00 0.00 C ATOM 1719 CG ARG A 109 83.984 -13.278 -5.378 1.00 0.00 C ATOM 1720 CD ARG A 109 82.846 -14.204 -4.942 1.00 0.00 C ATOM 1721 NE ARG A 109 82.016 -14.564 -6.089 1.00 0.00 N ATOM 1722 CZ ARG A 109 80.693 -14.466 -6.038 1.00 0.00 C ATOM 1723 NH1 ARG A 109 80.126 -13.291 -6.044 1.00 0.00 N ATOM 1724 NH2 ARG A 109 79.959 -15.543 -5.983 1.00 0.00 N ATOM 0 H ARG A 109 85.124 -11.490 -6.804 1.00 0.00 H new ATOM 0 HA ARG A 109 86.691 -13.530 -5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 109 84.212 -13.740 -7.480 1.00 0.00 H new ATOM 0 HB3 ARG A 109 84.811 -14.992 -6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 109 84.661 -13.100 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 109 83.583 -12.309 -5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 109 83.256 -15.104 -4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 109 82.237 -13.711 -4.185 1.00 0.00 H new ATOM 0 HE ARG A 109 82.461 -14.897 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 109 80.699 -12.448 -6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 109 79.110 -13.215 -6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 109 80.401 -16.462 -5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 109 78.943 -15.466 -5.944 1.00 0.00 H new ATOM 1738 N ASN A 110 86.649 -13.396 -9.002 1.00 0.00 N ATOM 1739 CA ASN A 110 87.310 -13.882 -10.208 1.00 0.00 C ATOM 1740 C ASN A 110 88.784 -13.487 -10.190 1.00 0.00 C ATOM 1741 O ASN A 110 89.631 -14.181 -10.753 1.00 0.00 O ATOM 1742 CB ASN A 110 86.632 -13.295 -11.450 1.00 0.00 C ATOM 1743 CG ASN A 110 86.826 -14.229 -12.640 1.00 0.00 C ATOM 1744 OD1 ASN A 110 85.934 -15.014 -12.966 1.00 0.00 O ATOM 1745 ND2 ASN A 110 87.944 -14.190 -13.313 1.00 0.00 N ATOM 0 H ASN A 110 85.992 -12.632 -9.158 1.00 0.00 H new ATOM 0 HA ASN A 110 87.232 -14.969 -10.239 1.00 0.00 H new ATOM 0 HB2 ASN A 110 85.568 -13.151 -11.260 1.00 0.00 H new ATOM 0 HB3 ASN A 110 87.052 -12.314 -11.674 1.00 0.00 H new ATOM 0 HD21 ASN A 110 88.081 -14.810 -14.111 1.00 0.00 H new ATOM 0 HD22 ASN A 110 88.681 -13.539 -13.041 1.00 0.00 H new ATOM 1752 N SER A 111 89.076 -12.368 -9.532 1.00 0.00 N ATOM 1753 CA SER A 111 90.447 -11.876 -9.429 1.00 0.00 C ATOM 1754 C SER A 111 91.141 -12.486 -8.212 1.00 0.00 C ATOM 1755 O SER A 111 92.224 -12.051 -7.821 1.00 0.00 O ATOM 1756 CB SER A 111 90.444 -10.352 -9.309 1.00 0.00 C ATOM 1757 OG SER A 111 89.766 -9.795 -10.428 1.00 0.00 O ATOM 0 H SER A 111 88.383 -11.785 -9.063 1.00 0.00 H new ATOM 0 HA SER A 111 90.991 -12.167 -10.328 1.00 0.00 H new ATOM 0 HB2 SER A 111 89.953 -10.049 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 111 91.466 -9.977 -9.265 1.00 0.00 H new ATOM 0 HG SER A 111 88.845 -9.575 -10.176 1.00 0.00 H new ATOM 1763 N GLY A 112 90.507 -13.497 -7.621 1.00 0.00 N ATOM 1764 CA GLY A 112 91.066 -14.165 -6.450 1.00 0.00 C ATOM 1765 C GLY A 112 92.315 -14.965 -6.813 1.00 0.00 C ATOM 1766 O GLY A 112 92.912 -15.619 -5.957 1.00 0.00 O ATOM 0 H GLY A 112 89.610 -13.869 -7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 112 91.314 -13.424 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 112 90.319 -14.830 -6.016 1.00 0.00 H new ATOM 1770 N GLY A 113 92.705 -14.906 -8.087 1.00 0.00 N ATOM 1771 CA GLY A 113 93.886 -15.628 -8.556 1.00 0.00 C ATOM 1772 C GLY A 113 95.127 -15.220 -7.769 1.00 0.00 C ATOM 1773 O GLY A 113 96.071 -16.000 -7.635 1.00 0.00 O ATOM 0 H GLY A 113 92.223 -14.369 -8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 113 93.724 -16.701 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 113 94.042 -15.428 -9.616 1.00 0.00 H new ATOM 1777 N TYR A 114 95.117 -13.995 -7.248 1.00 0.00 N ATOM 1778 CA TYR A 114 96.246 -13.492 -6.471 1.00 0.00 C ATOM 1779 C TYR A 114 96.485 -14.372 -5.245 1.00 0.00 C ATOM 1780 O TYR A 114 95.516 -14.704 -4.581 1.00 0.00 O ATOM 1781 CB TYR A 114 95.974 -12.053 -6.022 1.00 0.00 C ATOM 1782 CG TYR A 114 96.240 -11.103 -7.168 1.00 0.00 C ATOM 1783 CD1 TYR A 114 97.552 -10.890 -7.611 1.00 0.00 C ATOM 1784 CD2 TYR A 114 95.175 -10.435 -7.786 1.00 0.00 C ATOM 1785 CE1 TYR A 114 97.797 -10.010 -8.672 1.00 0.00 C ATOM 1786 CE2 TYR A 114 95.422 -9.556 -8.847 1.00 0.00 C ATOM 1787 CZ TYR A 114 96.734 -9.343 -9.290 1.00 0.00 C ATOM 1788 OH TYR A 114 96.976 -8.476 -10.336 1.00 0.00 O ATOM 1789 OXT TYR A 114 97.631 -14.702 -4.989 1.00 0.00 O ATOM 0 H TYR A 114 94.345 -13.336 -7.349 1.00 0.00 H new ATOM 0 HA TYR A 114 97.135 -13.513 -7.101 1.00 0.00 H new ATOM 0 HB2 TYR A 114 94.941 -11.955 -5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 114 96.609 -11.801 -5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 114 98.374 -11.404 -7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 114 94.164 -10.598 -7.444 1.00 0.00 H new ATOM 0 HE1 TYR A 114 98.808 -9.846 -9.014 1.00 0.00 H new ATOM 0 HE2 TYR A 114 94.601 -9.042 -9.324 1.00 0.00 H new ATOM 0 HH TYR A 114 96.128 -8.098 -10.651 1.00 0.00 H new TER 1799 TYR A 114