USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1093 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 99 HIS : no HD1:sc= -0.737 K(o=-0.93,f=-1.6) USER MOD Set 1.2: A 115 TYR OH : rot 165:sc= -0.19 USER MOD Set 2.1: A 64 TYR OH : rot 35:sc= 0.909 USER MOD Set 2.2: A 81 ASN :FLIP amide:sc= -1.21 F(o=-2.7!,f=-1.1) USER MOD Set 2.3: A 84 HIS : no HD1:sc= -0.803 K(o=-1.1,f=-5.4) USER MOD Set 3.1: A 74 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-0.81) USER MOD Set 3.2: A 104 HIS : no HD1:sc= -0.0476 X(o=-1.2,f=-1.3) USER MOD Set 4.1: A 30 TYR OH : rot -120:sc= -0.611 USER MOD Set 4.2: A 32 MET CE :methyl 157:sc= -0.0371 (180deg=-0.538) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 0.85 (180deg=0.842) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 90:sc= -0.0963 USER MOD Single : A 24 GLN : amide:sc= 0.75 K(o=0.75,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.884 K(o=-0.88,f=-1.8) USER MOD Single : A 33 SER OG : rot -51:sc= 0.341 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 73:sc= 0.825 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.015 USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0676) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.421 F(o=-1.6,f=-0.42) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 72 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.8!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.263 F(o=-1.9!,f=-0.26) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 69:sc= 0.938 USER MOD Single : A 103 TYR OH : rot -69:sc= 0.738 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 108 TYR OH : rot -121:sc= 0.652 USER MOD Single : A 113 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 38:sc= 0.312 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 HIS : no HE2:sc= -0.266 K(o=-0.27,f=-2.3!) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 140 HIS : no HD1:sc= 0.00179 X(o=0.0018,f=-0.27) USER MOD Single : A 141 HIS : no HE2:sc= 0.474 K(o=0.47,f=-1.5!) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.460 -7.027 -6.913 1.00 0.00 N ATOM 2 CA MET A 1 13.732 -8.312 -7.075 1.00 52.33 C ATOM 3 C MET A 1 12.542 -8.392 -6.080 1.00 54.43 C ATOM 4 O MET A 1 12.759 -8.626 -4.890 1.00 23.20 O ATOM 5 CB MET A 1 14.693 -9.525 -6.884 1.00 65.22 C ATOM 6 CG MET A 1 15.773 -9.668 -7.962 1.00 24.42 C ATOM 7 SD MET A 1 16.824 -11.118 -7.706 1.00 60.25 S ATOM 8 CE MET A 1 17.859 -11.075 -9.176 1.00 73.04 C ATOM 0 H1 MET A 1 15.282 -7.011 -7.550 1.00 0.00 H new ATOM 0 H2 MET A 1 13.826 -6.237 -7.147 1.00 0.00 H new ATOM 0 H3 MET A 1 14.782 -6.932 -5.929 1.00 0.00 H new ATOM 0 HA MET A 1 13.336 -8.353 -8.090 1.00 52.33 H new ATOM 0 HB2 MET A 1 15.179 -9.435 -5.913 1.00 65.22 H new ATOM 0 HB3 MET A 1 14.100 -10.439 -6.860 1.00 65.22 H new ATOM 0 HG2 MET A 1 15.298 -9.737 -8.940 1.00 24.42 H new ATOM 0 HG3 MET A 1 16.393 -8.772 -7.971 1.00 24.42 H new ATOM 0 HE1 MET A 1 18.557 -11.912 -9.154 1.00 73.04 H new ATOM 0 HE2 MET A 1 17.232 -11.149 -10.065 1.00 73.04 H new ATOM 0 HE3 MET A 1 18.416 -10.138 -9.202 1.00 73.04 H new ATOM 20 N PRO A 2 11.272 -8.169 -6.540 1.00 43.42 N ATOM 21 CA PRO A 2 10.067 -8.296 -5.673 1.00 3.10 C ATOM 22 C PRO A 2 9.532 -9.750 -5.564 1.00 62.34 C ATOM 23 O PRO A 2 10.124 -10.699 -6.092 1.00 14.25 O ATOM 24 CB PRO A 2 9.056 -7.393 -6.407 1.00 4.32 C ATOM 25 CG PRO A 2 9.387 -7.588 -7.859 1.00 52.44 C ATOM 26 CD PRO A 2 10.896 -7.749 -7.925 1.00 22.15 C ATOM 0 HA PRO A 2 10.268 -8.018 -4.638 1.00 3.10 H new ATOM 0 HB2 PRO A 2 8.028 -7.684 -6.189 1.00 4.32 H new ATOM 0 HB3 PRO A 2 9.162 -6.350 -6.109 1.00 4.32 H new ATOM 0 HG2 PRO A 2 8.883 -8.467 -8.260 1.00 52.44 H new ATOM 0 HG3 PRO A 2 9.059 -6.734 -8.452 1.00 52.44 H new ATOM 0 HD2 PRO A 2 11.186 -8.497 -8.662 1.00 22.15 H new ATOM 0 HD3 PRO A 2 11.386 -6.817 -8.207 1.00 22.15 H new ATOM 34 N LEU A 3 8.411 -9.901 -4.846 1.00 23.11 N ATOM 35 CA LEU A 3 7.633 -11.154 -4.786 1.00 74.21 C ATOM 36 C LEU A 3 6.294 -10.995 -5.524 1.00 71.34 C ATOM 37 O LEU A 3 5.654 -9.946 -5.446 1.00 34.13 O ATOM 38 CB LEU A 3 7.424 -11.605 -3.312 1.00 73.40 C ATOM 39 CG LEU A 3 8.637 -12.358 -2.677 1.00 73.12 C ATOM 40 CD1 LEU A 3 8.382 -12.694 -1.198 1.00 50.21 C ATOM 41 CD2 LEU A 3 8.971 -13.636 -3.487 1.00 43.31 C ATOM 0 H LEU A 3 8.011 -9.150 -4.283 1.00 23.11 H new ATOM 0 HA LEU A 3 8.199 -11.937 -5.291 1.00 74.21 H new ATOM 0 HB2 LEU A 3 7.203 -10.726 -2.706 1.00 73.40 H new ATOM 0 HB3 LEU A 3 6.548 -12.253 -3.266 1.00 73.40 H new ATOM 0 HG LEU A 3 9.499 -11.692 -2.716 1.00 73.12 H new ATOM 0 HD11 LEU A 3 9.247 -13.217 -0.789 1.00 50.21 H new ATOM 0 HD12 LEU A 3 8.218 -11.773 -0.639 1.00 50.21 H new ATOM 0 HD13 LEU A 3 7.501 -13.330 -1.116 1.00 50.21 H new ATOM 0 HD21 LEU A 3 9.818 -14.146 -3.029 1.00 43.31 H new ATOM 0 HD22 LEU A 3 8.107 -14.300 -3.491 1.00 43.31 H new ATOM 0 HD23 LEU A 3 9.223 -13.362 -4.511 1.00 43.31 H new ATOM 53 N GLU A 4 5.910 -12.032 -6.279 1.00 60.53 N ATOM 54 CA GLU A 4 4.616 -12.084 -6.987 1.00 60.04 C ATOM 55 C GLU A 4 3.820 -13.318 -6.528 1.00 50.34 C ATOM 56 O GLU A 4 4.369 -14.428 -6.474 1.00 22.03 O ATOM 57 CB GLU A 4 4.856 -12.171 -8.519 1.00 60.30 C ATOM 58 CG GLU A 4 3.575 -12.386 -9.350 1.00 2.44 C ATOM 59 CD GLU A 4 3.846 -12.691 -10.824 1.00 4.35 C ATOM 60 OE1 GLU A 4 4.108 -13.870 -11.153 1.00 63.45 O ATOM 61 OE2 GLU A 4 3.813 -11.762 -11.656 1.00 70.33 O ATOM 0 H GLU A 4 6.486 -12.862 -6.419 1.00 60.53 H new ATOM 0 HA GLU A 4 4.052 -11.180 -6.758 1.00 60.04 H new ATOM 0 HB2 GLU A 4 5.341 -11.253 -8.852 1.00 60.30 H new ATOM 0 HB3 GLU A 4 5.548 -12.989 -8.721 1.00 60.30 H new ATOM 0 HG2 GLU A 4 3.004 -13.207 -8.917 1.00 2.44 H new ATOM 0 HG3 GLU A 4 2.953 -11.494 -9.281 1.00 2.44 H new ATOM 68 N TRP A 5 2.524 -13.130 -6.215 1.00 71.03 N ATOM 69 CA TRP A 5 1.584 -14.248 -5.997 1.00 62.00 C ATOM 70 C TRP A 5 0.673 -14.452 -7.223 1.00 53.21 C ATOM 71 O TRP A 5 0.171 -13.492 -7.801 1.00 1.31 O ATOM 72 CB TRP A 5 0.727 -14.041 -4.715 1.00 72.14 C ATOM 73 CG TRP A 5 -0.139 -15.238 -4.395 1.00 72.24 C ATOM 74 CD1 TRP A 5 0.297 -16.435 -3.930 1.00 63.23 C ATOM 75 CD2 TRP A 5 -1.566 -15.367 -4.543 1.00 54.52 C ATOM 76 NE1 TRP A 5 -0.751 -17.303 -3.797 1.00 34.33 N ATOM 77 CE2 TRP A 5 -1.905 -16.671 -4.152 1.00 24.01 C ATOM 78 CE3 TRP A 5 -2.584 -14.512 -4.965 1.00 4.42 C ATOM 79 CZ2 TRP A 5 -3.209 -17.144 -4.167 1.00 31.03 C ATOM 80 CZ3 TRP A 5 -3.883 -14.979 -4.978 1.00 51.42 C ATOM 81 CH2 TRP A 5 -4.186 -16.286 -4.583 1.00 74.13 C ATOM 0 H TRP A 5 2.101 -12.208 -6.107 1.00 71.03 H new ATOM 0 HA TRP A 5 2.184 -15.147 -5.855 1.00 62.00 H new ATOM 0 HB2 TRP A 5 1.386 -13.838 -3.871 1.00 72.14 H new ATOM 0 HB3 TRP A 5 0.094 -13.163 -4.844 1.00 72.14 H new ATOM 0 HD1 TRP A 5 1.325 -16.669 -3.698 1.00 63.23 H new ATOM 0 HE1 TRP A 5 -0.680 -18.271 -3.482 1.00 34.33 H new ATOM 0 HE3 TRP A 5 -2.360 -13.502 -5.276 1.00 4.42 H new ATOM 0 HZ2 TRP A 5 -3.443 -18.153 -3.861 1.00 31.03 H new ATOM 0 HZ3 TRP A 5 -4.679 -14.324 -5.299 1.00 51.42 H new ATOM 0 HH2 TRP A 5 -5.212 -16.623 -4.608 1.00 74.13 H new ATOM 92 N ARG A 6 0.469 -15.717 -7.596 1.00 60.41 N ATOM 93 CA ARG A 6 -0.524 -16.125 -8.612 1.00 22.51 C ATOM 94 C ARG A 6 -1.318 -17.352 -8.106 1.00 42.14 C ATOM 95 O ARG A 6 -0.938 -17.980 -7.113 1.00 71.41 O ATOM 96 CB ARG A 6 0.142 -16.406 -9.995 1.00 41.04 C ATOM 97 CG ARG A 6 1.289 -17.457 -10.012 1.00 55.44 C ATOM 98 CD ARG A 6 2.654 -16.901 -9.556 1.00 71.20 C ATOM 99 NE ARG A 6 3.733 -17.902 -9.708 1.00 0.43 N ATOM 100 CZ ARG A 6 4.925 -17.683 -10.244 1.00 71.12 C ATOM 101 NH1 ARG A 6 5.269 -16.508 -10.669 1.00 4.13 N ATOM 102 NH2 ARG A 6 5.774 -18.653 -10.335 1.00 1.22 N ATOM 0 H ARG A 6 0.990 -16.500 -7.202 1.00 60.41 H new ATOM 0 HA ARG A 6 -1.218 -15.298 -8.764 1.00 22.51 H new ATOM 0 HB2 ARG A 6 -0.633 -16.736 -10.686 1.00 41.04 H new ATOM 0 HB3 ARG A 6 0.535 -15.466 -10.382 1.00 41.04 H new ATOM 0 HG2 ARG A 6 1.014 -18.291 -9.367 1.00 55.44 H new ATOM 0 HG3 ARG A 6 1.389 -17.855 -11.022 1.00 55.44 H new ATOM 0 HD2 ARG A 6 2.898 -16.013 -10.139 1.00 71.20 H new ATOM 0 HD3 ARG A 6 2.590 -16.591 -8.513 1.00 71.20 H new ATOM 0 HE ARG A 6 3.542 -18.845 -9.370 1.00 0.43 H new ATOM 0 HH11 ARG A 6 4.617 -15.728 -10.594 1.00 4.13 H new ATOM 0 HH12 ARG A 6 6.192 -16.364 -11.078 1.00 4.13 H new ATOM 0 HH21 ARG A 6 5.525 -19.582 -9.995 1.00 1.22 H new ATOM 0 HH22 ARG A 6 6.693 -18.490 -10.747 1.00 1.22 H new ATOM 116 N ALA A 7 -2.419 -17.685 -8.801 1.00 32.44 N ATOM 117 CA ALA A 7 -3.276 -18.837 -8.435 1.00 74.34 C ATOM 118 C ALA A 7 -2.509 -20.171 -8.630 1.00 2.53 C ATOM 119 O ALA A 7 -1.901 -20.398 -9.682 1.00 35.10 O ATOM 120 CB ALA A 7 -4.571 -18.822 -9.263 1.00 24.55 C ATOM 0 H ALA A 7 -2.741 -17.174 -9.623 1.00 32.44 H new ATOM 0 HA ALA A 7 -3.542 -18.753 -7.381 1.00 74.34 H new ATOM 0 HB1 ALA A 7 -5.191 -19.674 -8.984 1.00 24.55 H new ATOM 0 HB2 ALA A 7 -5.116 -17.898 -9.070 1.00 24.55 H new ATOM 0 HB3 ALA A 7 -4.326 -18.884 -10.323 1.00 24.55 H new ATOM 126 N GLY A 8 -2.549 -21.039 -7.604 1.00 24.34 N ATOM 127 CA GLY A 8 -1.781 -22.303 -7.594 1.00 24.35 C ATOM 128 C GLY A 8 -0.432 -22.211 -6.861 1.00 21.04 C ATOM 129 O GLY A 8 0.246 -23.232 -6.695 1.00 32.23 O ATOM 0 H GLY A 8 -3.108 -20.889 -6.764 1.00 24.34 H new ATOM 0 HA2 GLY A 8 -2.385 -23.079 -7.125 1.00 24.35 H new ATOM 0 HA3 GLY A 8 -1.603 -22.616 -8.623 1.00 24.35 H new ATOM 133 N ALA A 9 -0.041 -20.992 -6.420 1.00 40.45 N ATOM 134 CA ALA A 9 1.197 -20.779 -5.624 1.00 1.34 C ATOM 135 C ALA A 9 1.062 -21.379 -4.199 1.00 23.12 C ATOM 136 O ALA A 9 -0.033 -21.417 -3.634 1.00 41.34 O ATOM 137 CB ALA A 9 1.552 -19.282 -5.569 1.00 72.02 C ATOM 0 H ALA A 9 -0.566 -20.136 -6.602 1.00 40.45 H new ATOM 0 HA ALA A 9 2.014 -21.304 -6.120 1.00 1.34 H new ATOM 0 HB1 ALA A 9 2.460 -19.145 -4.983 1.00 72.02 H new ATOM 0 HB2 ALA A 9 1.713 -18.909 -6.580 1.00 72.02 H new ATOM 0 HB3 ALA A 9 0.734 -18.731 -5.105 1.00 72.02 H new ATOM 143 N SER A 10 2.200 -21.805 -3.615 1.00 72.00 N ATOM 144 CA SER A 10 2.222 -22.609 -2.359 1.00 71.42 C ATOM 145 C SER A 10 2.091 -21.721 -1.097 1.00 30.03 C ATOM 146 O SER A 10 2.351 -20.526 -1.148 1.00 23.51 O ATOM 147 CB SER A 10 3.529 -23.440 -2.278 1.00 72.13 C ATOM 148 OG SER A 10 3.579 -24.230 -1.095 1.00 2.45 O ATOM 0 H SER A 10 3.127 -21.608 -3.991 1.00 72.00 H new ATOM 0 HA SER A 10 1.361 -23.277 -2.388 1.00 71.42 H new ATOM 0 HB2 SER A 10 3.603 -24.088 -3.151 1.00 72.13 H new ATOM 0 HB3 SER A 10 4.388 -22.770 -2.305 1.00 72.13 H new ATOM 0 HG SER A 10 4.415 -24.741 -1.078 1.00 2.45 H new ATOM 154 N SER A 11 1.695 -22.341 0.035 1.00 23.34 N ATOM 155 CA SER A 11 1.471 -21.653 1.340 1.00 23.14 C ATOM 156 C SER A 11 2.732 -20.907 1.846 1.00 22.25 C ATOM 157 O SER A 11 2.626 -19.833 2.442 1.00 64.32 O ATOM 158 CB SER A 11 1.023 -22.688 2.398 1.00 75.14 C ATOM 159 OG SER A 11 2.006 -23.703 2.564 1.00 14.45 O ATOM 0 H SER A 11 1.518 -23.345 0.077 1.00 23.34 H new ATOM 0 HA SER A 11 0.694 -20.905 1.183 1.00 23.14 H new ATOM 0 HB2 SER A 11 0.847 -22.188 3.350 1.00 75.14 H new ATOM 0 HB3 SER A 11 0.078 -23.138 2.095 1.00 75.14 H new ATOM 0 HG SER A 11 1.702 -24.345 3.239 1.00 14.45 H new ATOM 165 N ASP A 12 3.918 -21.501 1.598 1.00 63.10 N ATOM 166 CA ASP A 12 5.228 -20.896 1.955 1.00 61.25 C ATOM 167 C ASP A 12 5.488 -19.612 1.141 1.00 22.42 C ATOM 168 O ASP A 12 6.060 -18.638 1.661 1.00 32.11 O ATOM 169 CB ASP A 12 6.367 -21.913 1.710 1.00 25.35 C ATOM 170 CG ASP A 12 6.127 -23.227 2.453 1.00 71.23 C ATOM 171 OD1 ASP A 12 6.408 -23.295 3.664 1.00 42.22 O ATOM 172 OD2 ASP A 12 5.634 -24.190 1.832 1.00 73.40 O ATOM 0 H ASP A 12 4.000 -22.412 1.146 1.00 63.10 H new ATOM 0 HA ASP A 12 5.201 -20.631 3.012 1.00 61.25 H new ATOM 0 HB2 ASP A 12 6.454 -22.111 0.642 1.00 25.35 H new ATOM 0 HB3 ASP A 12 7.315 -21.481 2.032 1.00 25.35 H new ATOM 177 N GLU A 13 5.073 -19.644 -0.144 1.00 64.21 N ATOM 178 CA GLU A 13 5.127 -18.471 -1.039 1.00 44.11 C ATOM 179 C GLU A 13 4.222 -17.353 -0.496 1.00 2.02 C ATOM 180 O GLU A 13 4.699 -16.258 -0.232 1.00 11.45 O ATOM 181 CB GLU A 13 4.677 -18.856 -2.485 1.00 42.43 C ATOM 182 CG GLU A 13 5.536 -19.938 -3.163 1.00 53.42 C ATOM 183 CD GLU A 13 6.952 -19.447 -3.515 1.00 1.21 C ATOM 184 OE1 GLU A 13 7.859 -19.524 -2.655 1.00 11.51 O ATOM 185 OE2 GLU A 13 7.156 -18.985 -4.651 1.00 55.22 O ATOM 0 H GLU A 13 4.693 -20.480 -0.587 1.00 64.21 H new ATOM 0 HA GLU A 13 6.157 -18.117 -1.077 1.00 44.11 H new ATOM 0 HB2 GLU A 13 3.644 -19.202 -2.449 1.00 42.43 H new ATOM 0 HB3 GLU A 13 4.691 -17.960 -3.105 1.00 42.43 H new ATOM 0 HG2 GLU A 13 5.610 -20.802 -2.503 1.00 53.42 H new ATOM 0 HG3 GLU A 13 5.037 -20.274 -4.072 1.00 53.42 H new ATOM 192 N ILE A 14 2.935 -17.688 -0.231 1.00 3.43 N ATOM 193 CA ILE A 14 1.921 -16.702 0.218 1.00 54.15 C ATOM 194 C ILE A 14 2.350 -16.051 1.554 1.00 1.40 C ATOM 195 O ILE A 14 2.230 -14.848 1.722 1.00 30.31 O ATOM 196 CB ILE A 14 0.476 -17.325 0.389 1.00 45.31 C ATOM 197 CG1 ILE A 14 0.108 -18.238 -0.822 1.00 54.12 C ATOM 198 CG2 ILE A 14 -0.588 -16.203 0.563 1.00 1.20 C ATOM 199 CD1 ILE A 14 -1.310 -18.797 -0.824 1.00 54.32 C ATOM 0 H ILE A 14 2.574 -18.638 -0.321 1.00 3.43 H new ATOM 0 HA ILE A 14 1.865 -15.951 -0.570 1.00 54.15 H new ATOM 0 HB ILE A 14 0.484 -17.942 1.288 1.00 45.31 H new ATOM 0 HG12 ILE A 14 0.255 -17.669 -1.740 1.00 54.12 H new ATOM 0 HG13 ILE A 14 0.808 -19.073 -0.849 1.00 54.12 H new ATOM 0 HG21 ILE A 14 -1.574 -16.652 0.679 1.00 1.20 H new ATOM 0 HG22 ILE A 14 -0.352 -15.612 1.448 1.00 1.20 H new ATOM 0 HG23 ILE A 14 -0.584 -15.558 -0.316 1.00 1.20 H new ATOM 0 HD11 ILE A 14 -1.456 -19.416 -1.709 1.00 54.32 H new ATOM 0 HD12 ILE A 14 -1.464 -19.401 0.070 1.00 54.32 H new ATOM 0 HD13 ILE A 14 -2.025 -17.975 -0.834 1.00 54.32 H new ATOM 211 N ASN A 15 2.881 -16.879 2.468 1.00 62.34 N ATOM 212 CA ASN A 15 3.430 -16.438 3.773 1.00 22.44 C ATOM 213 C ASN A 15 4.495 -15.316 3.607 1.00 4.55 C ATOM 214 O ASN A 15 4.415 -14.263 4.249 1.00 21.44 O ATOM 215 CB ASN A 15 4.054 -17.663 4.493 1.00 64.41 C ATOM 216 CG ASN A 15 4.638 -17.344 5.872 1.00 22.40 C ATOM 217 OD1 ASN A 15 5.813 -17.008 6.004 1.00 61.21 O ATOM 218 ND2 ASN A 15 3.831 -17.453 6.910 1.00 60.25 N ATOM 0 H ASN A 15 2.945 -17.887 2.326 1.00 62.34 H new ATOM 0 HA ASN A 15 2.616 -16.023 4.367 1.00 22.44 H new ATOM 0 HB2 ASN A 15 3.292 -18.434 4.602 1.00 64.41 H new ATOM 0 HB3 ASN A 15 4.841 -18.079 3.864 1.00 64.41 H new ATOM 0 HD21 ASN A 15 4.178 -17.257 7.849 1.00 60.25 H new ATOM 0 HD22 ASN A 15 2.860 -17.734 6.774 1.00 60.25 H new ATOM 225 N ALA A 16 5.473 -15.565 2.714 1.00 72.40 N ATOM 226 CA ALA A 16 6.598 -14.629 2.453 1.00 74.35 C ATOM 227 C ALA A 16 6.167 -13.399 1.616 1.00 50.43 C ATOM 228 O ALA A 16 6.757 -12.323 1.739 1.00 1.44 O ATOM 229 CB ALA A 16 7.745 -15.368 1.755 1.00 54.01 C ATOM 0 H ALA A 16 5.511 -16.416 2.152 1.00 72.40 H new ATOM 0 HA ALA A 16 6.936 -14.255 3.419 1.00 74.35 H new ATOM 0 HB1 ALA A 16 8.564 -14.674 1.568 1.00 54.01 H new ATOM 0 HB2 ALA A 16 8.095 -16.180 2.392 1.00 54.01 H new ATOM 0 HB3 ALA A 16 7.392 -15.776 0.808 1.00 54.01 H new ATOM 235 N ILE A 17 5.154 -13.581 0.756 1.00 21.32 N ATOM 236 CA ILE A 17 4.588 -12.500 -0.093 1.00 71.23 C ATOM 237 C ILE A 17 3.789 -11.495 0.767 1.00 2.13 C ATOM 238 O ILE A 17 3.941 -10.289 0.610 1.00 53.52 O ATOM 239 CB ILE A 17 3.713 -13.120 -1.253 1.00 62.44 C ATOM 240 CG1 ILE A 17 4.640 -13.931 -2.224 1.00 32.35 C ATOM 241 CG2 ILE A 17 2.899 -12.047 -2.029 1.00 14.53 C ATOM 242 CD1 ILE A 17 3.921 -14.845 -3.190 1.00 2.23 C ATOM 0 H ILE A 17 4.696 -14.483 0.623 1.00 21.32 H new ATOM 0 HA ILE A 17 5.403 -11.946 -0.558 1.00 71.23 H new ATOM 0 HB ILE A 17 2.980 -13.787 -0.800 1.00 62.44 H new ATOM 0 HG12 ILE A 17 5.243 -13.227 -2.797 1.00 32.35 H new ATOM 0 HG13 ILE A 17 5.329 -14.529 -1.627 1.00 32.35 H new ATOM 0 HG21 ILE A 17 2.317 -12.529 -2.814 1.00 14.53 H new ATOM 0 HG22 ILE A 17 2.227 -11.533 -1.342 1.00 14.53 H new ATOM 0 HG23 ILE A 17 3.582 -11.325 -2.476 1.00 14.53 H new ATOM 0 HD11 ILE A 17 4.650 -15.359 -3.816 1.00 2.23 H new ATOM 0 HD12 ILE A 17 3.340 -15.579 -2.632 1.00 2.23 H new ATOM 0 HD13 ILE A 17 3.254 -14.256 -3.819 1.00 2.23 H new ATOM 254 N ILE A 18 2.966 -12.021 1.687 1.00 70.55 N ATOM 255 CA ILE A 18 2.287 -11.235 2.754 1.00 32.21 C ATOM 256 C ILE A 18 3.329 -10.475 3.614 1.00 13.43 C ATOM 257 O ILE A 18 3.181 -9.281 3.894 1.00 65.52 O ATOM 258 CB ILE A 18 1.426 -12.206 3.660 1.00 50.05 C ATOM 259 CG1 ILE A 18 0.216 -12.771 2.848 1.00 32.33 C ATOM 260 CG2 ILE A 18 0.956 -11.543 4.990 1.00 12.01 C ATOM 261 CD1 ILE A 18 -0.547 -13.888 3.530 1.00 24.32 C ATOM 0 H ILE A 18 2.744 -13.016 1.720 1.00 70.55 H new ATOM 0 HA ILE A 18 1.628 -10.501 2.291 1.00 32.21 H new ATOM 0 HB ILE A 18 2.075 -13.032 3.951 1.00 50.05 H new ATOM 0 HG12 ILE A 18 -0.475 -11.954 2.639 1.00 32.33 H new ATOM 0 HG13 ILE A 18 0.580 -13.134 1.887 1.00 32.33 H new ATOM 0 HG21 ILE A 18 0.371 -12.259 5.567 1.00 12.01 H new ATOM 0 HG22 ILE A 18 1.826 -11.235 5.570 1.00 12.01 H new ATOM 0 HG23 ILE A 18 0.342 -10.671 4.765 1.00 12.01 H new ATOM 0 HD11 ILE A 18 -1.367 -14.213 2.889 1.00 24.32 H new ATOM 0 HD12 ILE A 18 0.124 -14.727 3.714 1.00 24.32 H new ATOM 0 HD13 ILE A 18 -0.948 -13.529 4.478 1.00 24.32 H new ATOM 273 N ARG A 19 4.395 -11.201 3.991 1.00 51.12 N ATOM 274 CA ARG A 19 5.531 -10.671 4.777 1.00 73.01 C ATOM 275 C ARG A 19 6.225 -9.501 4.013 1.00 22.33 C ATOM 276 O ARG A 19 6.589 -8.490 4.613 1.00 42.54 O ATOM 277 CB ARG A 19 6.520 -11.858 5.090 1.00 73.33 C ATOM 278 CG ARG A 19 7.202 -11.839 6.482 1.00 51.01 C ATOM 279 CD ARG A 19 8.350 -10.832 6.599 1.00 75.33 C ATOM 280 NE ARG A 19 8.827 -10.704 7.992 1.00 1.11 N ATOM 281 CZ ARG A 19 9.949 -11.198 8.474 1.00 60.13 C ATOM 282 NH1 ARG A 19 10.736 -11.922 7.736 1.00 72.15 N ATOM 283 NH2 ARG A 19 10.258 -10.984 9.708 1.00 10.22 N ATOM 0 H ARG A 19 4.497 -12.188 3.756 1.00 51.12 H new ATOM 0 HA ARG A 19 5.181 -10.256 5.722 1.00 73.01 H new ATOM 0 HB2 ARG A 19 5.971 -12.795 4.991 1.00 73.33 H new ATOM 0 HB3 ARG A 19 7.299 -11.863 4.328 1.00 73.33 H new ATOM 0 HG2 ARG A 19 6.452 -11.610 7.239 1.00 51.01 H new ATOM 0 HG3 ARG A 19 7.583 -12.836 6.702 1.00 51.01 H new ATOM 0 HD2 ARG A 19 9.175 -11.145 5.959 1.00 75.33 H new ATOM 0 HD3 ARG A 19 8.018 -9.859 6.237 1.00 75.33 H new ATOM 0 HE ARG A 19 8.233 -10.186 8.639 1.00 1.11 H new ATOM 0 HH11 ARG A 19 10.489 -12.116 6.766 1.00 72.15 H new ATOM 0 HH12 ARG A 19 11.601 -12.296 8.127 1.00 72.15 H new ATOM 0 HH21 ARG A 19 9.636 -10.436 10.302 1.00 10.22 H new ATOM 0 HH22 ARG A 19 11.125 -11.363 10.090 1.00 10.22 H new ATOM 297 N ALA A 20 6.341 -9.646 2.678 1.00 42.42 N ATOM 298 CA ALA A 20 6.949 -8.626 1.786 1.00 44.13 C ATOM 299 C ALA A 20 6.033 -7.388 1.597 1.00 13.43 C ATOM 300 O ALA A 20 6.533 -6.253 1.542 1.00 14.21 O ATOM 301 CB ALA A 20 7.293 -9.251 0.419 1.00 4.41 C ATOM 0 H ALA A 20 6.016 -10.476 2.182 1.00 42.42 H new ATOM 0 HA ALA A 20 7.864 -8.279 2.266 1.00 44.13 H new ATOM 0 HB1 ALA A 20 7.738 -8.493 -0.226 1.00 4.41 H new ATOM 0 HB2 ALA A 20 8.000 -10.068 0.560 1.00 4.41 H new ATOM 0 HB3 ALA A 20 6.384 -9.634 -0.045 1.00 4.41 H new ATOM 307 N VAL A 21 4.697 -7.615 1.499 1.00 50.13 N ATOM 308 CA VAL A 21 3.700 -6.517 1.383 1.00 60.31 C ATOM 309 C VAL A 21 3.770 -5.617 2.632 1.00 3.02 C ATOM 310 O VAL A 21 3.998 -4.427 2.523 1.00 64.32 O ATOM 311 CB VAL A 21 2.215 -7.048 1.205 1.00 40.31 C ATOM 312 CG1 VAL A 21 1.179 -5.892 1.234 1.00 63.45 C ATOM 313 CG2 VAL A 21 2.058 -7.863 -0.100 1.00 43.14 C ATOM 0 H VAL A 21 4.285 -8.548 1.498 1.00 50.13 H new ATOM 0 HA VAL A 21 3.954 -5.952 0.486 1.00 60.31 H new ATOM 0 HB VAL A 21 2.017 -7.704 2.052 1.00 40.31 H new ATOM 0 HG11 VAL A 21 0.176 -6.299 1.109 1.00 63.45 H new ATOM 0 HG12 VAL A 21 1.242 -5.370 2.189 1.00 63.45 H new ATOM 0 HG13 VAL A 21 1.391 -5.193 0.424 1.00 63.45 H new ATOM 0 HG21 VAL A 21 1.029 -8.211 -0.190 1.00 43.14 H new ATOM 0 HG22 VAL A 21 2.304 -7.232 -0.955 1.00 43.14 H new ATOM 0 HG23 VAL A 21 2.730 -8.721 -0.077 1.00 43.14 H new ATOM 323 N TYR A 22 3.651 -6.236 3.807 1.00 55.44 N ATOM 324 CA TYR A 22 3.689 -5.531 5.101 1.00 72.23 C ATOM 325 C TYR A 22 5.046 -4.792 5.357 1.00 2.32 C ATOM 326 O TYR A 22 5.040 -3.686 5.886 1.00 31.35 O ATOM 327 CB TYR A 22 3.411 -6.522 6.243 1.00 34.22 C ATOM 328 CG TYR A 22 1.944 -6.835 6.592 1.00 42.31 C ATOM 329 CD1 TYR A 22 1.227 -7.827 5.931 1.00 43.31 C ATOM 330 CD2 TYR A 22 1.302 -6.173 7.653 1.00 70.54 C ATOM 331 CE1 TYR A 22 -0.065 -8.147 6.302 1.00 63.51 C ATOM 332 CE2 TYR A 22 0.008 -6.484 8.018 1.00 54.22 C ATOM 333 CZ TYR A 22 -0.669 -7.474 7.341 1.00 2.21 C ATOM 334 OH TYR A 22 -1.951 -7.810 7.713 1.00 31.21 O ATOM 0 H TYR A 22 3.525 -7.244 3.895 1.00 55.44 H new ATOM 0 HA TYR A 22 2.913 -4.766 5.068 1.00 72.23 H new ATOM 0 HB2 TYR A 22 3.903 -7.463 5.995 1.00 34.22 H new ATOM 0 HB3 TYR A 22 3.893 -6.138 7.142 1.00 34.22 H new ATOM 0 HD1 TYR A 22 1.689 -8.358 5.112 1.00 43.31 H new ATOM 0 HD2 TYR A 22 1.833 -5.404 8.194 1.00 70.54 H new ATOM 0 HE1 TYR A 22 -0.601 -8.924 5.778 1.00 63.51 H new ATOM 0 HE2 TYR A 22 -0.470 -5.955 8.829 1.00 54.22 H new ATOM 0 HH TYR A 22 -1.920 -8.511 8.397 1.00 31.21 H new ATOM 344 N ARG A 23 6.203 -5.416 5.009 1.00 44.14 N ATOM 345 CA ARG A 23 7.542 -4.775 5.220 1.00 60.41 C ATOM 346 C ARG A 23 7.734 -3.523 4.332 1.00 70.12 C ATOM 347 O ARG A 23 8.253 -2.503 4.795 1.00 21.21 O ATOM 348 CB ARG A 23 8.731 -5.758 4.979 1.00 45.32 C ATOM 349 CG ARG A 23 8.876 -6.865 6.042 1.00 60.12 C ATOM 350 CD ARG A 23 10.165 -7.693 5.905 1.00 41.25 C ATOM 351 NE ARG A 23 11.366 -6.937 6.294 1.00 74.32 N ATOM 352 CZ ARG A 23 12.594 -7.215 5.916 1.00 13.01 C ATOM 353 NH1 ARG A 23 12.843 -8.153 5.056 1.00 30.33 N ATOM 354 NH2 ARG A 23 13.577 -6.548 6.411 1.00 73.25 N ATOM 0 H ARG A 23 6.243 -6.344 4.589 1.00 44.14 H new ATOM 0 HA ARG A 23 7.551 -4.476 6.268 1.00 60.41 H new ATOM 0 HB2 ARG A 23 8.606 -6.225 4.002 1.00 45.32 H new ATOM 0 HB3 ARG A 23 9.657 -5.185 4.942 1.00 45.32 H new ATOM 0 HG2 ARG A 23 8.851 -6.410 7.032 1.00 60.12 H new ATOM 0 HG3 ARG A 23 8.017 -7.533 5.976 1.00 60.12 H new ATOM 0 HD2 ARG A 23 10.086 -8.587 6.524 1.00 41.25 H new ATOM 0 HD3 ARG A 23 10.269 -8.028 4.873 1.00 41.25 H new ATOM 0 HE ARG A 23 11.235 -6.132 6.907 1.00 74.32 H new ATOM 0 HH11 ARG A 23 12.077 -8.695 4.656 1.00 30.33 H new ATOM 0 HH12 ARG A 23 13.805 -8.349 4.779 1.00 30.33 H new ATOM 0 HH21 ARG A 23 13.401 -5.809 7.092 1.00 73.25 H new ATOM 0 HH22 ARG A 23 14.533 -6.758 6.122 1.00 73.25 H new ATOM 368 N GLN A 24 7.338 -3.625 3.050 1.00 24.45 N ATOM 369 CA GLN A 24 7.501 -2.515 2.080 1.00 34.02 C ATOM 370 C GLN A 24 6.450 -1.394 2.333 1.00 31.22 C ATOM 371 O GLN A 24 6.791 -0.217 2.306 1.00 1.14 O ATOM 372 CB GLN A 24 7.443 -3.043 0.600 1.00 4.51 C ATOM 373 CG GLN A 24 8.518 -2.458 -0.361 1.00 14.44 C ATOM 374 CD GLN A 24 8.442 -0.936 -0.558 1.00 42.21 C ATOM 375 OE1 GLN A 24 9.087 -0.161 0.145 1.00 44.05 O ATOM 376 NE2 GLN A 24 7.636 -0.496 -1.501 1.00 12.32 N ATOM 0 H GLN A 24 6.904 -4.460 2.658 1.00 24.45 H new ATOM 0 HA GLN A 24 8.488 -2.077 2.230 1.00 34.02 H new ATOM 0 HB2 GLN A 24 7.546 -4.128 0.615 1.00 4.51 H new ATOM 0 HB3 GLN A 24 6.457 -2.822 0.192 1.00 4.51 H new ATOM 0 HG2 GLN A 24 9.506 -2.712 0.023 1.00 14.44 H new ATOM 0 HG3 GLN A 24 8.419 -2.942 -1.333 1.00 14.44 H new ATOM 0 HE21 GLN A 24 7.111 -1.158 -2.072 1.00 12.32 H new ATOM 0 HE22 GLN A 24 7.537 0.507 -1.660 1.00 12.32 H new ATOM 385 N VAL A 25 5.186 -1.789 2.610 1.00 21.00 N ATOM 386 CA VAL A 25 4.051 -0.843 2.812 1.00 41.34 C ATOM 387 C VAL A 25 4.128 -0.116 4.183 1.00 3.44 C ATOM 388 O VAL A 25 3.869 1.088 4.255 1.00 52.00 O ATOM 389 CB VAL A 25 2.648 -1.561 2.640 1.00 73.50 C ATOM 390 CG1 VAL A 25 1.464 -0.651 3.051 1.00 12.12 C ATOM 391 CG2 VAL A 25 2.464 -2.068 1.182 1.00 53.43 C ATOM 0 H VAL A 25 4.919 -2.769 2.701 1.00 21.00 H new ATOM 0 HA VAL A 25 4.142 -0.087 2.032 1.00 41.34 H new ATOM 0 HB VAL A 25 2.645 -2.416 3.316 1.00 73.50 H new ATOM 0 HG11 VAL A 25 0.526 -1.190 2.914 1.00 12.12 H new ATOM 0 HG12 VAL A 25 1.570 -0.367 4.098 1.00 12.12 H new ATOM 0 HG13 VAL A 25 1.461 0.245 2.430 1.00 12.12 H new ATOM 0 HG21 VAL A 25 1.495 -2.557 1.087 1.00 53.43 H new ATOM 0 HG22 VAL A 25 2.514 -1.224 0.494 1.00 53.43 H new ATOM 0 HG23 VAL A 25 3.255 -2.779 0.941 1.00 53.43 H new ATOM 401 N LEU A 26 4.472 -0.840 5.266 1.00 14.55 N ATOM 402 CA LEU A 26 4.644 -0.221 6.611 1.00 45.11 C ATOM 403 C LEU A 26 6.068 0.363 6.750 1.00 41.03 C ATOM 404 O LEU A 26 6.236 1.576 6.866 1.00 52.21 O ATOM 405 CB LEU A 26 4.337 -1.220 7.779 1.00 43.25 C ATOM 406 CG LEU A 26 2.824 -1.527 8.073 1.00 51.52 C ATOM 407 CD1 LEU A 26 2.125 -2.222 6.887 1.00 62.51 C ATOM 408 CD2 LEU A 26 2.663 -2.344 9.384 1.00 53.42 C ATOM 0 H LEU A 26 4.637 -1.846 5.245 1.00 14.55 H new ATOM 0 HA LEU A 26 3.915 0.585 6.691 1.00 45.11 H new ATOM 0 HB2 LEU A 26 4.838 -2.163 7.559 1.00 43.25 H new ATOM 0 HB3 LEU A 26 4.786 -0.825 8.690 1.00 43.25 H new ATOM 0 HG LEU A 26 2.326 -0.567 8.211 1.00 51.52 H new ATOM 0 HD11 LEU A 26 1.082 -2.412 7.140 1.00 62.51 H new ATOM 0 HD12 LEU A 26 2.173 -1.579 6.008 1.00 62.51 H new ATOM 0 HD13 LEU A 26 2.625 -3.167 6.673 1.00 62.51 H new ATOM 0 HD21 LEU A 26 1.606 -2.542 9.562 1.00 53.42 H new ATOM 0 HD22 LEU A 26 3.198 -3.289 9.292 1.00 53.42 H new ATOM 0 HD23 LEU A 26 3.072 -1.776 10.219 1.00 53.42 H new ATOM 420 N GLY A 27 7.084 -0.510 6.718 1.00 14.14 N ATOM 421 CA GLY A 27 8.488 -0.103 6.918 1.00 54.24 C ATOM 422 C GLY A 27 9.220 -1.048 7.871 1.00 51.43 C ATOM 423 O GLY A 27 8.738 -1.286 8.991 1.00 75.24 O ATOM 0 H GLY A 27 6.962 -1.509 6.555 1.00 14.14 H new ATOM 0 HA2 GLY A 27 9.002 -0.085 5.957 1.00 54.24 H new ATOM 0 HA3 GLY A 27 8.520 0.911 7.316 1.00 54.24 H new ATOM 427 N ASN A 28 10.363 -1.615 7.405 1.00 40.21 N ATOM 428 CA ASN A 28 11.235 -2.541 8.193 1.00 3.21 C ATOM 429 C ASN A 28 10.497 -3.879 8.520 1.00 15.44 C ATOM 430 O ASN A 28 9.442 -4.169 7.943 1.00 74.12 O ATOM 431 CB ASN A 28 11.755 -1.815 9.488 1.00 11.43 C ATOM 432 CG ASN A 28 12.997 -2.455 10.118 1.00 41.43 C ATOM 433 OD1 ASN A 28 13.818 -3.053 9.433 1.00 31.33 O ATOM 434 ND2 ASN A 28 13.149 -2.338 11.422 1.00 73.45 N ATOM 0 H ASN A 28 10.713 -1.444 6.462 1.00 40.21 H new ATOM 0 HA ASN A 28 12.101 -2.809 7.588 1.00 3.21 H new ATOM 0 HB2 ASN A 28 11.981 -0.778 9.242 1.00 11.43 H new ATOM 0 HB3 ASN A 28 10.954 -1.800 10.228 1.00 11.43 H new ATOM 0 HD21 ASN A 28 13.962 -2.750 11.880 1.00 73.45 H new ATOM 0 HD22 ASN A 28 12.453 -1.836 11.974 1.00 73.45 H new ATOM 441 N ASP A 29 11.086 -4.724 9.389 1.00 4.21 N ATOM 442 CA ASP A 29 10.371 -5.858 10.009 1.00 51.13 C ATOM 443 C ASP A 29 9.159 -5.323 10.823 1.00 31.43 C ATOM 444 O ASP A 29 9.312 -4.696 11.869 1.00 60.13 O ATOM 445 CB ASP A 29 11.346 -6.688 10.884 1.00 75.41 C ATOM 446 CG ASP A 29 12.435 -7.383 10.046 1.00 35.34 C ATOM 447 OD1 ASP A 29 13.256 -6.670 9.418 1.00 63.12 O ATOM 448 OD2 ASP A 29 12.473 -8.632 10.006 1.00 20.33 O ATOM 0 H ASP A 29 12.060 -4.642 9.679 1.00 4.21 H new ATOM 0 HA ASP A 29 9.986 -6.524 9.237 1.00 51.13 H new ATOM 0 HB2 ASP A 29 11.817 -6.035 11.619 1.00 75.41 H new ATOM 0 HB3 ASP A 29 10.783 -7.439 11.439 1.00 75.41 H new ATOM 453 N TYR A 30 7.970 -5.590 10.288 1.00 5.23 N ATOM 454 CA TYR A 30 6.701 -4.916 10.644 1.00 62.22 C ATOM 455 C TYR A 30 6.025 -5.463 11.932 1.00 31.55 C ATOM 456 O TYR A 30 6.614 -6.223 12.710 1.00 12.12 O ATOM 457 CB TYR A 30 5.739 -5.057 9.435 1.00 64.32 C ATOM 458 CG TYR A 30 5.408 -6.519 9.082 1.00 40.05 C ATOM 459 CD1 TYR A 30 6.234 -7.250 8.240 1.00 42.40 C ATOM 460 CD2 TYR A 30 4.267 -7.164 9.578 1.00 4.12 C ATOM 461 CE1 TYR A 30 5.952 -8.546 7.905 1.00 35.35 C ATOM 462 CE2 TYR A 30 3.980 -8.472 9.237 1.00 62.12 C ATOM 463 CZ TYR A 30 4.827 -9.153 8.397 1.00 41.10 C ATOM 464 OH TYR A 30 4.548 -10.446 8.035 1.00 73.44 O ATOM 0 H TYR A 30 7.848 -6.304 9.570 1.00 5.23 H new ATOM 0 HA TYR A 30 6.931 -3.874 10.866 1.00 62.22 H new ATOM 0 HB2 TYR A 30 4.813 -4.525 9.654 1.00 64.32 H new ATOM 0 HB3 TYR A 30 6.186 -4.574 8.566 1.00 64.32 H new ATOM 0 HD1 TYR A 30 7.122 -6.784 7.839 1.00 42.40 H new ATOM 0 HD2 TYR A 30 3.600 -6.629 10.238 1.00 4.12 H new ATOM 0 HE1 TYR A 30 6.617 -9.091 7.252 1.00 35.35 H new ATOM 0 HE2 TYR A 30 3.097 -8.955 9.628 1.00 62.12 H new ATOM 0 HH TYR A 30 3.680 -10.478 7.580 1.00 73.44 H new ATOM 474 N VAL A 31 4.754 -5.053 12.101 1.00 22.03 N ATOM 475 CA VAL A 31 3.882 -5.426 13.223 1.00 53.34 C ATOM 476 C VAL A 31 3.188 -6.809 12.979 1.00 32.44 C ATOM 477 O VAL A 31 2.203 -6.900 12.233 1.00 71.11 O ATOM 478 CB VAL A 31 2.802 -4.290 13.421 1.00 50.42 C ATOM 479 CG1 VAL A 31 1.890 -4.562 14.642 1.00 0.45 C ATOM 480 CG2 VAL A 31 3.482 -2.891 13.510 1.00 44.30 C ATOM 0 H VAL A 31 4.293 -4.432 11.436 1.00 22.03 H new ATOM 0 HA VAL A 31 4.487 -5.528 14.124 1.00 53.34 H new ATOM 0 HB VAL A 31 2.155 -4.294 12.543 1.00 50.42 H new ATOM 0 HG11 VAL A 31 1.163 -3.756 14.740 1.00 0.45 H new ATOM 0 HG12 VAL A 31 1.366 -5.508 14.502 1.00 0.45 H new ATOM 0 HG13 VAL A 31 2.498 -4.614 15.545 1.00 0.45 H new ATOM 0 HG21 VAL A 31 2.720 -2.124 13.646 1.00 44.30 H new ATOM 0 HG22 VAL A 31 4.169 -2.874 14.356 1.00 44.30 H new ATOM 0 HG23 VAL A 31 4.033 -2.695 12.590 1.00 44.30 H new ATOM 490 N MET A 32 3.745 -7.885 13.574 1.00 35.23 N ATOM 491 CA MET A 32 3.126 -9.238 13.571 1.00 42.23 C ATOM 492 C MET A 32 3.430 -9.971 14.911 1.00 70.41 C ATOM 493 O MET A 32 4.445 -10.662 15.047 1.00 43.00 O ATOM 494 CB MET A 32 3.588 -10.095 12.344 1.00 62.30 C ATOM 495 CG MET A 32 3.053 -11.546 12.334 1.00 53.03 C ATOM 496 SD MET A 32 3.707 -12.575 10.995 1.00 24.24 S ATOM 497 CE MET A 32 2.584 -12.208 9.646 1.00 34.25 C ATOM 0 H MET A 32 4.635 -7.846 14.071 1.00 35.23 H new ATOM 0 HA MET A 32 2.048 -9.109 13.477 1.00 42.23 H new ATOM 0 HB2 MET A 32 3.268 -9.597 11.429 1.00 62.30 H new ATOM 0 HB3 MET A 32 4.677 -10.123 12.327 1.00 62.30 H new ATOM 0 HG2 MET A 32 3.294 -12.016 13.288 1.00 53.03 H new ATOM 0 HG3 MET A 32 1.966 -11.519 12.257 1.00 53.03 H new ATOM 0 HE1 MET A 32 3.073 -12.424 8.696 1.00 34.25 H new ATOM 0 HE2 MET A 32 1.688 -12.822 9.741 1.00 34.25 H new ATOM 0 HE3 MET A 32 2.307 -11.154 9.680 1.00 34.25 H new ATOM 507 N SER A 33 2.569 -9.719 15.913 1.00 50.33 N ATOM 508 CA SER A 33 2.500 -10.483 17.197 1.00 42.21 C ATOM 509 C SER A 33 1.233 -10.056 17.980 1.00 12.12 C ATOM 510 O SER A 33 1.099 -10.300 19.183 1.00 35.05 O ATOM 511 CB SER A 33 3.782 -10.276 18.059 1.00 64.24 C ATOM 512 OG SER A 33 3.811 -11.146 19.186 1.00 2.45 O ATOM 0 H SER A 33 1.883 -8.966 15.864 1.00 50.33 H new ATOM 0 HA SER A 33 2.441 -11.547 16.966 1.00 42.21 H new ATOM 0 HB2 SER A 33 4.665 -10.450 17.444 1.00 64.24 H new ATOM 0 HB3 SER A 33 3.828 -9.241 18.398 1.00 64.24 H new ATOM 0 HG SER A 33 2.967 -11.071 19.679 1.00 2.45 H new ATOM 518 N THR A 34 0.269 -9.479 17.240 1.00 0.22 N ATOM 519 CA THR A 34 -0.902 -8.773 17.806 1.00 72.41 C ATOM 520 C THR A 34 -2.010 -8.652 16.716 1.00 51.40 C ATOM 521 O THR A 34 -2.060 -9.485 15.798 1.00 53.14 O ATOM 522 CB THR A 34 -0.442 -7.364 18.356 1.00 75.23 C ATOM 523 OG1 THR A 34 -1.520 -6.691 19.021 1.00 52.33 O ATOM 524 CG2 THR A 34 0.129 -6.463 17.244 1.00 74.40 C ATOM 0 H THR A 34 0.278 -9.488 16.220 1.00 0.22 H new ATOM 0 HA THR A 34 -1.325 -9.332 18.641 1.00 72.41 H new ATOM 0 HB THR A 34 0.355 -7.557 19.074 1.00 75.23 H new ATOM 0 HG1 THR A 34 -1.209 -5.823 19.353 1.00 52.33 H new ATOM 0 HG21 THR A 34 0.431 -5.506 17.670 1.00 74.40 H new ATOM 0 HG22 THR A 34 0.994 -6.948 16.791 1.00 74.40 H new ATOM 0 HG23 THR A 34 -0.634 -6.296 16.483 1.00 74.40 H new ATOM 532 N GLU A 35 -2.925 -7.669 16.837 1.00 4.33 N ATOM 533 CA GLU A 35 -3.953 -7.387 15.805 1.00 51.14 C ATOM 534 C GLU A 35 -3.306 -6.923 14.475 1.00 61.45 C ATOM 535 O GLU A 35 -2.885 -5.774 14.341 1.00 12.21 O ATOM 536 CB GLU A 35 -4.973 -6.313 16.312 1.00 73.31 C ATOM 537 CG GLU A 35 -5.963 -6.790 17.407 1.00 23.11 C ATOM 538 CD GLU A 35 -5.286 -7.294 18.695 1.00 1.55 C ATOM 539 OE1 GLU A 35 -4.758 -6.460 19.464 1.00 3.01 O ATOM 540 OE2 GLU A 35 -5.264 -8.526 18.934 1.00 11.31 O ATOM 0 H GLU A 35 -2.975 -7.050 17.646 1.00 4.33 H new ATOM 0 HA GLU A 35 -4.489 -8.317 15.616 1.00 51.14 H new ATOM 0 HB2 GLU A 35 -4.414 -5.462 16.700 1.00 73.31 H new ATOM 0 HB3 GLU A 35 -5.549 -5.954 15.459 1.00 73.31 H new ATOM 0 HG2 GLU A 35 -6.632 -5.967 17.660 1.00 23.11 H new ATOM 0 HG3 GLU A 35 -6.581 -7.589 16.998 1.00 23.11 H new ATOM 547 N ARG A 36 -3.170 -7.862 13.527 1.00 41.42 N ATOM 548 CA ARG A 36 -2.863 -7.555 12.113 1.00 34.41 C ATOM 549 C ARG A 36 -4.112 -7.884 11.259 1.00 44.22 C ATOM 550 O ARG A 36 -5.131 -8.352 11.794 1.00 71.10 O ATOM 551 CB ARG A 36 -1.614 -8.358 11.628 1.00 42.23 C ATOM 552 CG ARG A 36 -1.850 -9.877 11.425 1.00 22.45 C ATOM 553 CD ARG A 36 -0.598 -10.627 10.937 1.00 32.31 C ATOM 554 NE ARG A 36 -0.897 -12.019 10.541 1.00 5.50 N ATOM 555 CZ ARG A 36 -0.671 -13.106 11.254 1.00 55.25 C ATOM 556 NH1 ARG A 36 -0.204 -13.052 12.463 1.00 74.40 N ATOM 557 NH2 ARG A 36 -0.927 -14.252 10.732 1.00 52.32 N ATOM 0 H ARG A 36 -3.269 -8.860 13.715 1.00 41.42 H new ATOM 0 HA ARG A 36 -2.620 -6.498 12.007 1.00 34.41 H new ATOM 0 HB2 ARG A 36 -1.269 -7.930 10.687 1.00 42.23 H new ATOM 0 HB3 ARG A 36 -0.811 -8.224 12.353 1.00 42.23 H new ATOM 0 HG2 ARG A 36 -2.184 -10.315 12.366 1.00 22.45 H new ATOM 0 HG3 ARG A 36 -2.655 -10.020 10.704 1.00 22.45 H new ATOM 0 HD2 ARG A 36 -0.166 -10.095 10.089 1.00 32.31 H new ATOM 0 HD3 ARG A 36 0.152 -10.630 11.728 1.00 32.31 H new ATOM 0 HE ARG A 36 -1.321 -12.153 9.623 1.00 5.50 H new ATOM 0 HH11 ARG A 36 0.000 -12.149 12.891 1.00 74.40 H new ATOM 0 HH12 ARG A 36 -0.041 -13.913 12.986 1.00 74.40 H new ATOM 0 HH21 ARG A 36 -1.298 -14.309 9.783 1.00 52.32 H new ATOM 0 HH22 ARG A 36 -0.759 -15.105 11.266 1.00 52.32 H new ATOM 571 N LEU A 37 -4.044 -7.663 9.935 1.00 23.04 N ATOM 572 CA LEU A 37 -5.177 -7.958 9.030 1.00 34.31 C ATOM 573 C LEU A 37 -5.187 -9.460 8.650 1.00 14.04 C ATOM 574 O LEU A 37 -4.810 -9.837 7.539 1.00 23.13 O ATOM 575 CB LEU A 37 -5.168 -7.043 7.766 1.00 65.13 C ATOM 576 CG LEU A 37 -5.264 -5.498 8.034 1.00 72.32 C ATOM 577 CD1 LEU A 37 -3.914 -4.908 8.497 1.00 24.22 C ATOM 578 CD2 LEU A 37 -5.810 -4.740 6.803 1.00 63.44 C ATOM 0 H LEU A 37 -3.222 -7.283 9.466 1.00 23.04 H new ATOM 0 HA LEU A 37 -6.100 -7.736 9.565 1.00 34.31 H new ATOM 0 HB2 LEU A 37 -4.253 -7.239 7.207 1.00 65.13 H new ATOM 0 HB3 LEU A 37 -6.001 -7.333 7.126 1.00 65.13 H new ATOM 0 HG LEU A 37 -5.975 -5.363 8.849 1.00 72.32 H new ATOM 0 HD11 LEU A 37 -4.025 -3.838 8.671 1.00 24.22 H new ATOM 0 HD12 LEU A 37 -3.602 -5.395 9.421 1.00 24.22 H new ATOM 0 HD13 LEU A 37 -3.161 -5.074 7.727 1.00 24.22 H new ATOM 0 HD21 LEU A 37 -5.862 -3.674 7.026 1.00 63.44 H new ATOM 0 HD22 LEU A 37 -5.147 -4.901 5.953 1.00 63.44 H new ATOM 0 HD23 LEU A 37 -6.806 -5.109 6.561 1.00 63.44 H new ATOM 590 N THR A 38 -5.590 -10.302 9.625 1.00 70.04 N ATOM 591 CA THR A 38 -5.683 -11.775 9.468 1.00 24.11 C ATOM 592 C THR A 38 -6.869 -12.187 8.571 1.00 12.21 C ATOM 593 O THR A 38 -6.807 -13.219 7.905 1.00 11.53 O ATOM 594 CB THR A 38 -5.808 -12.504 10.849 1.00 62.23 C ATOM 595 OG1 THR A 38 -6.924 -11.972 11.593 1.00 5.42 O ATOM 596 CG2 THR A 38 -4.521 -12.381 11.688 1.00 24.22 C ATOM 0 H THR A 38 -5.863 -9.979 10.553 1.00 70.04 H new ATOM 0 HA THR A 38 -4.754 -12.082 8.988 1.00 24.11 H new ATOM 0 HB THR A 38 -5.972 -13.562 10.642 1.00 62.23 H new ATOM 0 HG1 THR A 38 -6.994 -12.436 12.454 1.00 5.42 H new ATOM 0 HG21 THR A 38 -4.654 -12.901 12.637 1.00 24.22 H new ATOM 0 HG22 THR A 38 -3.688 -12.826 11.144 1.00 24.22 H new ATOM 0 HG23 THR A 38 -4.310 -11.329 11.878 1.00 24.22 H new ATOM 604 N SER A 39 -7.954 -11.385 8.581 1.00 50.33 N ATOM 605 CA SER A 39 -9.131 -11.609 7.700 1.00 22.51 C ATOM 606 C SER A 39 -8.752 -11.418 6.214 1.00 71.24 C ATOM 607 O SER A 39 -8.993 -12.305 5.395 1.00 43.13 O ATOM 608 CB SER A 39 -10.291 -10.657 8.070 1.00 4.44 C ATOM 609 OG SER A 39 -11.430 -10.869 7.245 1.00 71.25 O ATOM 0 H SER A 39 -8.044 -10.572 9.190 1.00 50.33 H new ATOM 0 HA SER A 39 -9.461 -12.637 7.850 1.00 22.51 H new ATOM 0 HB2 SER A 39 -10.565 -10.807 9.114 1.00 4.44 H new ATOM 0 HB3 SER A 39 -9.959 -9.624 7.973 1.00 4.44 H new ATOM 0 HG SER A 39 -12.144 -10.251 7.508 1.00 71.25 H new ATOM 615 N ALA A 40 -8.114 -10.265 5.900 1.00 73.50 N ATOM 616 CA ALA A 40 -7.637 -9.942 4.528 1.00 51.24 C ATOM 617 C ALA A 40 -6.566 -10.953 4.059 1.00 14.10 C ATOM 618 O ALA A 40 -6.523 -11.350 2.889 1.00 13.14 O ATOM 619 CB ALA A 40 -7.074 -8.511 4.477 1.00 31.10 C ATOM 0 H ALA A 40 -7.915 -9.535 6.584 1.00 73.50 H new ATOM 0 HA ALA A 40 -8.489 -10.010 3.852 1.00 51.24 H new ATOM 0 HB1 ALA A 40 -6.730 -8.291 3.466 1.00 31.10 H new ATOM 0 HB2 ALA A 40 -7.854 -7.803 4.757 1.00 31.10 H new ATOM 0 HB3 ALA A 40 -6.239 -8.424 5.172 1.00 31.10 H new ATOM 625 N GLU A 41 -5.698 -11.336 5.009 1.00 64.43 N ATOM 626 CA GLU A 41 -4.697 -12.408 4.841 1.00 35.02 C ATOM 627 C GLU A 41 -5.347 -13.743 4.417 1.00 13.04 C ATOM 628 O GLU A 41 -4.911 -14.366 3.450 1.00 33.01 O ATOM 629 CB GLU A 41 -3.936 -12.570 6.177 1.00 34.32 C ATOM 630 CG GLU A 41 -2.892 -13.689 6.232 1.00 23.51 C ATOM 631 CD GLU A 41 -2.232 -13.805 7.613 1.00 64.24 C ATOM 632 OE1 GLU A 41 -2.832 -14.430 8.513 1.00 41.12 O ATOM 633 OE2 GLU A 41 -1.134 -13.242 7.818 1.00 13.15 O ATOM 0 H GLU A 41 -5.670 -10.903 5.932 1.00 64.43 H new ATOM 0 HA GLU A 41 -4.008 -12.132 4.043 1.00 35.02 H new ATOM 0 HB2 GLU A 41 -3.439 -11.627 6.404 1.00 34.32 H new ATOM 0 HB3 GLU A 41 -4.666 -12.744 6.968 1.00 34.32 H new ATOM 0 HG2 GLU A 41 -3.366 -14.637 5.978 1.00 23.51 H new ATOM 0 HG3 GLU A 41 -2.125 -13.504 5.480 1.00 23.51 H new ATOM 640 N SER A 42 -6.414 -14.147 5.137 1.00 32.44 N ATOM 641 CA SER A 42 -7.168 -15.396 4.847 1.00 30.21 C ATOM 642 C SER A 42 -7.859 -15.352 3.467 1.00 62.25 C ATOM 643 O SER A 42 -8.000 -16.386 2.804 1.00 2.20 O ATOM 644 CB SER A 42 -8.215 -15.682 5.947 1.00 32.34 C ATOM 645 OG SER A 42 -7.599 -15.919 7.203 1.00 3.00 O ATOM 0 H SER A 42 -6.780 -13.624 5.932 1.00 32.44 H new ATOM 0 HA SER A 42 -6.437 -16.204 4.832 1.00 30.21 H new ATOM 0 HB2 SER A 42 -8.898 -14.836 6.029 1.00 32.34 H new ATOM 0 HB3 SER A 42 -8.813 -16.548 5.665 1.00 32.34 H new ATOM 0 HG SER A 42 -7.257 -15.075 7.564 1.00 3.00 H new ATOM 651 N LEU A 43 -8.287 -14.144 3.051 1.00 62.00 N ATOM 652 CA LEU A 43 -8.881 -13.918 1.717 1.00 55.31 C ATOM 653 C LEU A 43 -7.827 -14.107 0.592 1.00 24.30 C ATOM 654 O LEU A 43 -8.144 -14.619 -0.479 1.00 72.34 O ATOM 655 CB LEU A 43 -9.516 -12.503 1.625 1.00 50.33 C ATOM 656 CG LEU A 43 -10.630 -12.155 2.667 1.00 64.13 C ATOM 657 CD1 LEU A 43 -11.181 -10.724 2.449 1.00 70.21 C ATOM 658 CD2 LEU A 43 -11.762 -13.204 2.671 1.00 11.11 C ATOM 0 H LEU A 43 -8.232 -13.303 3.625 1.00 62.00 H new ATOM 0 HA LEU A 43 -9.666 -14.661 1.578 1.00 55.31 H new ATOM 0 HB2 LEU A 43 -8.718 -11.767 1.723 1.00 50.33 H new ATOM 0 HB3 LEU A 43 -9.937 -12.385 0.627 1.00 50.33 H new ATOM 0 HG LEU A 43 -10.167 -12.182 3.654 1.00 64.13 H new ATOM 0 HD11 LEU A 43 -11.953 -10.515 3.190 1.00 70.21 H new ATOM 0 HD12 LEU A 43 -10.371 -10.002 2.555 1.00 70.21 H new ATOM 0 HD13 LEU A 43 -11.607 -10.647 1.449 1.00 70.21 H new ATOM 0 HD21 LEU A 43 -12.515 -12.924 3.408 1.00 11.11 H new ATOM 0 HD22 LEU A 43 -12.221 -13.248 1.683 1.00 11.11 H new ATOM 0 HD23 LEU A 43 -11.351 -14.181 2.924 1.00 11.11 H new ATOM 670 N LEU A 44 -6.571 -13.680 0.844 1.00 43.02 N ATOM 671 CA LEU A 44 -5.460 -13.847 -0.131 1.00 63.21 C ATOM 672 C LEU A 44 -5.026 -15.335 -0.233 1.00 34.05 C ATOM 673 O LEU A 44 -4.863 -15.874 -1.332 1.00 10.42 O ATOM 674 CB LEU A 44 -4.233 -12.965 0.247 1.00 2.43 C ATOM 675 CG LEU A 44 -3.072 -12.958 -0.811 1.00 44.24 C ATOM 676 CD1 LEU A 44 -3.519 -12.295 -2.133 1.00 51.11 C ATOM 677 CD2 LEU A 44 -1.785 -12.306 -0.254 1.00 14.44 C ATOM 0 H LEU A 44 -6.297 -13.218 1.711 1.00 43.02 H new ATOM 0 HA LEU A 44 -5.833 -13.521 -1.102 1.00 63.21 H new ATOM 0 HB2 LEU A 44 -4.573 -11.941 0.398 1.00 2.43 H new ATOM 0 HB3 LEU A 44 -3.834 -13.312 1.200 1.00 2.43 H new ATOM 0 HG LEU A 44 -2.831 -13.998 -1.030 1.00 44.24 H new ATOM 0 HD11 LEU A 44 -2.692 -12.306 -2.843 1.00 51.11 H new ATOM 0 HD12 LEU A 44 -4.363 -12.846 -2.549 1.00 51.11 H new ATOM 0 HD13 LEU A 44 -3.818 -11.265 -1.940 1.00 51.11 H new ATOM 0 HD21 LEU A 44 -1.008 -12.323 -1.019 1.00 14.44 H new ATOM 0 HD22 LEU A 44 -1.993 -11.274 0.029 1.00 14.44 H new ATOM 0 HD23 LEU A 44 -1.445 -12.861 0.620 1.00 14.44 H new ATOM 689 N ARG A 45 -4.854 -15.980 0.940 1.00 75.51 N ATOM 690 CA ARG A 45 -4.470 -17.411 1.047 1.00 62.32 C ATOM 691 C ARG A 45 -5.544 -18.343 0.433 1.00 60.12 C ATOM 692 O ARG A 45 -5.216 -19.374 -0.164 1.00 35.34 O ATOM 693 CB ARG A 45 -4.227 -17.798 2.533 1.00 43.51 C ATOM 694 CG ARG A 45 -3.124 -16.986 3.243 1.00 70.41 C ATOM 695 CD ARG A 45 -2.902 -17.414 4.707 1.00 11.21 C ATOM 696 NE ARG A 45 -4.132 -17.344 5.528 1.00 74.24 N ATOM 697 CZ ARG A 45 -4.171 -17.446 6.845 1.00 45.02 C ATOM 698 NH1 ARG A 45 -3.089 -17.553 7.549 1.00 34.23 N ATOM 699 NH2 ARG A 45 -5.303 -17.436 7.453 1.00 75.03 N ATOM 0 H ARG A 45 -4.977 -15.525 1.845 1.00 75.51 H new ATOM 0 HA ARG A 45 -3.547 -17.542 0.482 1.00 62.32 H new ATOM 0 HB2 ARG A 45 -5.160 -17.674 3.083 1.00 43.51 H new ATOM 0 HB3 ARG A 45 -3.967 -18.855 2.580 1.00 43.51 H new ATOM 0 HG2 ARG A 45 -2.189 -17.097 2.693 1.00 70.41 H new ATOM 0 HG3 ARG A 45 -3.386 -15.928 3.216 1.00 70.41 H new ATOM 0 HD2 ARG A 45 -2.518 -18.434 4.726 1.00 11.21 H new ATOM 0 HD3 ARG A 45 -2.138 -16.777 5.153 1.00 11.21 H new ATOM 0 HE ARG A 45 -5.017 -17.207 5.040 1.00 74.24 H new ATOM 0 HH11 ARG A 45 -2.179 -17.560 7.088 1.00 34.23 H new ATOM 0 HH12 ARG A 45 -3.147 -17.630 8.564 1.00 34.23 H new ATOM 0 HH21 ARG A 45 -6.168 -17.350 6.919 1.00 75.03 H new ATOM 0 HH22 ARG A 45 -5.337 -17.515 8.469 1.00 75.03 H new ATOM 713 N GLY A 46 -6.826 -17.955 0.589 1.00 5.32 N ATOM 714 CA GLY A 46 -7.958 -18.709 0.030 1.00 64.15 C ATOM 715 C GLY A 46 -8.252 -18.390 -1.448 1.00 64.51 C ATOM 716 O GLY A 46 -9.157 -18.986 -2.039 1.00 45.24 O ATOM 0 H GLY A 46 -7.101 -17.117 1.102 1.00 5.32 H new ATOM 0 HA2 GLY A 46 -7.755 -19.775 0.128 1.00 64.15 H new ATOM 0 HA3 GLY A 46 -8.849 -18.499 0.621 1.00 64.15 H new ATOM 720 N GLY A 47 -7.485 -17.448 -2.038 1.00 40.30 N ATOM 721 CA GLY A 47 -7.681 -17.010 -3.440 1.00 23.51 C ATOM 722 C GLY A 47 -8.996 -16.254 -3.684 1.00 21.14 C ATOM 723 O GLY A 47 -9.489 -16.195 -4.814 1.00 53.14 O ATOM 0 H GLY A 47 -6.718 -16.972 -1.562 1.00 40.30 H new ATOM 0 HA2 GLY A 47 -6.848 -16.370 -3.729 1.00 23.51 H new ATOM 0 HA3 GLY A 47 -7.651 -17.885 -4.090 1.00 23.51 H new ATOM 727 N GLU A 48 -9.568 -15.698 -2.605 1.00 25.03 N ATOM 728 CA GLU A 48 -10.838 -14.935 -2.640 1.00 20.31 C ATOM 729 C GLU A 48 -10.619 -13.479 -3.127 1.00 64.42 C ATOM 730 O GLU A 48 -11.486 -12.905 -3.794 1.00 12.43 O ATOM 731 CB GLU A 48 -11.470 -14.956 -1.219 1.00 52.11 C ATOM 732 CG GLU A 48 -11.710 -16.381 -0.667 1.00 4.43 C ATOM 733 CD GLU A 48 -12.103 -16.400 0.819 1.00 74.42 C ATOM 734 OE1 GLU A 48 -13.311 -16.284 1.133 1.00 21.34 O ATOM 735 OE2 GLU A 48 -11.205 -16.530 1.680 1.00 22.44 O ATOM 0 H GLU A 48 -9.162 -15.763 -1.671 1.00 25.03 H new ATOM 0 HA GLU A 48 -11.515 -15.405 -3.353 1.00 20.31 H new ATOM 0 HB2 GLU A 48 -10.818 -14.415 -0.533 1.00 52.11 H new ATOM 0 HB3 GLU A 48 -12.419 -14.421 -1.245 1.00 52.11 H new ATOM 0 HG2 GLU A 48 -12.496 -16.861 -1.250 1.00 4.43 H new ATOM 0 HG3 GLU A 48 -10.805 -16.973 -0.804 1.00 4.43 H new ATOM 742 N ILE A 49 -9.443 -12.901 -2.810 1.00 51.22 N ATOM 743 CA ILE A 49 -9.025 -11.560 -3.309 1.00 40.20 C ATOM 744 C ILE A 49 -7.692 -11.668 -4.078 1.00 13.42 C ATOM 745 O ILE A 49 -6.963 -12.667 -3.958 1.00 71.30 O ATOM 746 CB ILE A 49 -8.880 -10.484 -2.158 1.00 63.25 C ATOM 747 CG1 ILE A 49 -7.696 -10.833 -1.189 1.00 70.21 C ATOM 748 CG2 ILE A 49 -10.214 -10.308 -1.387 1.00 32.11 C ATOM 749 CD1 ILE A 49 -7.422 -9.793 -0.114 1.00 45.14 C ATOM 0 H ILE A 49 -8.753 -13.343 -2.203 1.00 51.22 H new ATOM 0 HA ILE A 49 -9.820 -11.219 -3.972 1.00 40.20 H new ATOM 0 HB ILE A 49 -8.641 -9.529 -2.627 1.00 63.25 H new ATOM 0 HG12 ILE A 49 -7.910 -11.786 -0.706 1.00 70.21 H new ATOM 0 HG13 ILE A 49 -6.791 -10.971 -1.780 1.00 70.21 H new ATOM 0 HG21 ILE A 49 -10.085 -9.563 -0.602 1.00 32.11 H new ATOM 0 HG22 ILE A 49 -10.992 -9.978 -2.076 1.00 32.11 H new ATOM 0 HG23 ILE A 49 -10.504 -11.259 -0.940 1.00 32.11 H new ATOM 0 HD11 ILE A 49 -6.588 -10.122 0.506 1.00 45.14 H new ATOM 0 HD12 ILE A 49 -7.172 -8.841 -0.583 1.00 45.14 H new ATOM 0 HD13 ILE A 49 -8.309 -9.669 0.507 1.00 45.14 H new ATOM 761 N SER A 50 -7.390 -10.631 -4.875 1.00 4.33 N ATOM 762 CA SER A 50 -6.114 -10.522 -5.617 1.00 24.03 C ATOM 763 C SER A 50 -4.992 -9.937 -4.726 1.00 75.15 C ATOM 764 O SER A 50 -5.247 -9.459 -3.612 1.00 33.10 O ATOM 765 CB SER A 50 -6.311 -9.648 -6.876 1.00 5.31 C ATOM 766 OG SER A 50 -7.308 -10.191 -7.726 1.00 34.20 O ATOM 0 H SER A 50 -8.020 -9.843 -5.026 1.00 4.33 H new ATOM 0 HA SER A 50 -5.809 -11.524 -5.919 1.00 24.03 H new ATOM 0 HB2 SER A 50 -6.593 -8.637 -6.580 1.00 5.31 H new ATOM 0 HB3 SER A 50 -5.369 -9.570 -7.419 1.00 5.31 H new ATOM 0 HG SER A 50 -7.414 -9.618 -8.514 1.00 34.20 H new ATOM 772 N VAL A 51 -3.744 -9.984 -5.239 1.00 5.01 N ATOM 773 CA VAL A 51 -2.546 -9.471 -4.524 1.00 54.54 C ATOM 774 C VAL A 51 -2.662 -7.961 -4.264 1.00 62.25 C ATOM 775 O VAL A 51 -2.404 -7.495 -3.160 1.00 34.35 O ATOM 776 CB VAL A 51 -1.225 -9.748 -5.329 1.00 24.44 C ATOM 777 CG1 VAL A 51 0.049 -9.324 -4.540 1.00 71.25 C ATOM 778 CG2 VAL A 51 -1.162 -11.222 -5.761 1.00 1.11 C ATOM 0 H VAL A 51 -3.534 -10.376 -6.157 1.00 5.01 H new ATOM 0 HA VAL A 51 -2.499 -10.003 -3.574 1.00 54.54 H new ATOM 0 HB VAL A 51 -1.247 -9.128 -6.225 1.00 24.44 H new ATOM 0 HG11 VAL A 51 0.935 -9.536 -5.139 1.00 71.25 H new ATOM 0 HG12 VAL A 51 0.004 -8.257 -4.323 1.00 71.25 H new ATOM 0 HG13 VAL A 51 0.101 -9.882 -3.605 1.00 71.25 H new ATOM 0 HG21 VAL A 51 -0.242 -11.399 -6.318 1.00 1.11 H new ATOM 0 HG22 VAL A 51 -1.181 -11.861 -4.878 1.00 1.11 H new ATOM 0 HG23 VAL A 51 -2.019 -11.453 -6.394 1.00 1.11 H new ATOM 788 N ARG A 52 -3.064 -7.218 -5.308 1.00 12.52 N ATOM 789 CA ARG A 52 -3.255 -5.757 -5.228 1.00 43.10 C ATOM 790 C ARG A 52 -4.404 -5.378 -4.254 1.00 71.24 C ATOM 791 O ARG A 52 -4.329 -4.343 -3.578 1.00 74.52 O ATOM 792 CB ARG A 52 -3.491 -5.176 -6.646 1.00 42.11 C ATOM 793 CG ARG A 52 -3.418 -3.634 -6.751 1.00 60.32 C ATOM 794 CD ARG A 52 -2.094 -3.058 -6.190 1.00 63.44 C ATOM 795 NE ARG A 52 -0.894 -3.762 -6.695 1.00 41.31 N ATOM 796 CZ ARG A 52 -0.300 -3.546 -7.846 1.00 20.03 C ATOM 797 NH1 ARG A 52 -0.722 -2.638 -8.673 1.00 63.13 N ATOM 798 NH2 ARG A 52 0.732 -4.250 -8.165 1.00 61.43 N ATOM 0 H ARG A 52 -3.265 -7.609 -6.228 1.00 12.52 H new ATOM 0 HA ARG A 52 -2.346 -5.314 -4.821 1.00 43.10 H new ATOM 0 HB2 ARG A 52 -2.753 -5.605 -7.324 1.00 42.11 H new ATOM 0 HB3 ARG A 52 -4.471 -5.501 -6.995 1.00 42.11 H new ATOM 0 HG2 ARG A 52 -3.524 -3.340 -7.795 1.00 60.32 H new ATOM 0 HG3 ARG A 52 -4.257 -3.197 -6.210 1.00 60.32 H new ATOM 0 HD2 ARG A 52 -2.025 -2.002 -6.451 1.00 63.44 H new ATOM 0 HD3 ARG A 52 -2.111 -3.117 -5.102 1.00 63.44 H new ATOM 0 HE ARG A 52 -0.491 -4.481 -6.094 1.00 41.31 H new ATOM 0 HH11 ARG A 52 -1.535 -2.070 -8.435 1.00 63.13 H new ATOM 0 HH12 ARG A 52 -0.240 -2.493 -9.560 1.00 63.13 H new ATOM 0 HH21 ARG A 52 1.079 -4.966 -7.526 1.00 61.43 H new ATOM 0 HH22 ARG A 52 1.202 -4.091 -9.056 1.00 61.43 H new ATOM 812 N ASP A 53 -5.450 -6.234 -4.182 1.00 42.24 N ATOM 813 CA ASP A 53 -6.561 -6.081 -3.204 1.00 2.33 C ATOM 814 C ASP A 53 -6.095 -6.312 -1.746 1.00 73.03 C ATOM 815 O ASP A 53 -6.658 -5.740 -0.802 1.00 20.11 O ATOM 816 CB ASP A 53 -7.745 -7.014 -3.555 1.00 14.12 C ATOM 817 CG ASP A 53 -8.433 -6.607 -4.865 1.00 22.44 C ATOM 818 OD1 ASP A 53 -8.940 -5.465 -4.946 1.00 13.42 O ATOM 819 OD2 ASP A 53 -8.464 -7.409 -5.819 1.00 25.04 O ATOM 0 H ASP A 53 -5.551 -7.045 -4.793 1.00 42.24 H new ATOM 0 HA ASP A 53 -6.903 -5.048 -3.274 1.00 2.33 H new ATOM 0 HB2 ASP A 53 -7.385 -8.040 -3.639 1.00 14.12 H new ATOM 0 HB3 ASP A 53 -8.472 -6.997 -2.743 1.00 14.12 H new ATOM 824 N PHE A 54 -5.072 -7.156 -1.575 1.00 24.23 N ATOM 825 CA PHE A 54 -4.405 -7.342 -0.274 1.00 54.03 C ATOM 826 C PHE A 54 -3.503 -6.119 0.068 1.00 14.23 C ATOM 827 O PHE A 54 -3.499 -5.648 1.208 1.00 45.13 O ATOM 828 CB PHE A 54 -3.587 -8.655 -0.280 1.00 74.32 C ATOM 829 CG PHE A 54 -2.904 -8.968 1.050 1.00 10.52 C ATOM 830 CD1 PHE A 54 -3.650 -9.387 2.153 1.00 70.12 C ATOM 831 CD2 PHE A 54 -1.523 -8.833 1.204 1.00 53.30 C ATOM 832 CE1 PHE A 54 -3.039 -9.659 3.356 1.00 11.13 C ATOM 833 CE2 PHE A 54 -0.918 -9.109 2.410 1.00 24.03 C ATOM 834 CZ PHE A 54 -1.678 -9.522 3.484 1.00 33.21 C ATOM 0 H PHE A 54 -4.683 -7.727 -2.325 1.00 24.23 H new ATOM 0 HA PHE A 54 -5.167 -7.415 0.502 1.00 54.03 H new ATOM 0 HB2 PHE A 54 -4.248 -9.482 -0.541 1.00 74.32 H new ATOM 0 HB3 PHE A 54 -2.829 -8.595 -1.061 1.00 74.32 H new ATOM 0 HD1 PHE A 54 -4.720 -9.499 2.061 1.00 70.12 H new ATOM 0 HD2 PHE A 54 -0.922 -8.508 0.367 1.00 53.30 H new ATOM 0 HE1 PHE A 54 -3.630 -9.981 4.201 1.00 11.13 H new ATOM 0 HE2 PHE A 54 0.152 -9.002 2.515 1.00 24.03 H new ATOM 0 HZ PHE A 54 -1.202 -9.738 4.429 1.00 33.21 H new ATOM 844 N VAL A 55 -2.764 -5.610 -0.944 1.00 14.31 N ATOM 845 CA VAL A 55 -1.839 -4.454 -0.793 1.00 54.21 C ATOM 846 C VAL A 55 -2.573 -3.185 -0.281 1.00 63.43 C ATOM 847 O VAL A 55 -2.129 -2.560 0.685 1.00 21.05 O ATOM 848 CB VAL A 55 -1.095 -4.138 -2.153 1.00 42.41 C ATOM 849 CG1 VAL A 55 -0.305 -2.804 -2.086 1.00 31.34 C ATOM 850 CG2 VAL A 55 -0.162 -5.310 -2.565 1.00 33.15 C ATOM 0 H VAL A 55 -2.789 -5.987 -1.891 1.00 14.31 H new ATOM 0 HA VAL A 55 -1.099 -4.739 -0.045 1.00 54.21 H new ATOM 0 HB VAL A 55 -1.863 -4.025 -2.919 1.00 42.41 H new ATOM 0 HG11 VAL A 55 0.190 -2.626 -3.041 1.00 31.34 H new ATOM 0 HG12 VAL A 55 -0.992 -1.984 -1.875 1.00 31.34 H new ATOM 0 HG13 VAL A 55 0.442 -2.863 -1.295 1.00 31.34 H new ATOM 0 HG21 VAL A 55 0.336 -5.066 -3.503 1.00 33.15 H new ATOM 0 HG22 VAL A 55 0.585 -5.470 -1.788 1.00 33.15 H new ATOM 0 HG23 VAL A 55 -0.752 -6.217 -2.693 1.00 33.15 H new ATOM 860 N ARG A 56 -3.695 -2.829 -0.942 1.00 14.44 N ATOM 861 CA ARG A 56 -4.532 -1.656 -0.559 1.00 4.44 C ATOM 862 C ARG A 56 -5.129 -1.803 0.865 1.00 33.03 C ATOM 863 O ARG A 56 -5.282 -0.811 1.570 1.00 23.22 O ATOM 864 CB ARG A 56 -5.651 -1.414 -1.619 1.00 34.34 C ATOM 865 CG ARG A 56 -6.540 -2.642 -1.901 1.00 62.20 C ATOM 866 CD ARG A 56 -7.445 -2.503 -3.148 1.00 32.35 C ATOM 867 NE ARG A 56 -8.603 -1.627 -2.926 1.00 14.42 N ATOM 868 CZ ARG A 56 -9.806 -1.815 -3.437 1.00 63.34 C ATOM 869 NH1 ARG A 56 -10.083 -2.856 -4.163 1.00 55.40 N ATOM 870 NH2 ARG A 56 -10.742 -0.963 -3.190 1.00 34.21 N ATOM 0 H ARG A 56 -4.050 -3.338 -1.751 1.00 14.44 H new ATOM 0 HA ARG A 56 -3.881 -0.782 -0.537 1.00 4.44 H new ATOM 0 HB2 ARG A 56 -6.283 -0.593 -1.280 1.00 34.34 H new ATOM 0 HB3 ARG A 56 -5.187 -1.095 -2.552 1.00 34.34 H new ATOM 0 HG2 ARG A 56 -5.901 -3.516 -2.026 1.00 62.20 H new ATOM 0 HG3 ARG A 56 -7.168 -2.828 -1.030 1.00 62.20 H new ATOM 0 HD2 ARG A 56 -6.854 -2.111 -3.976 1.00 32.35 H new ATOM 0 HD3 ARG A 56 -7.796 -3.491 -3.446 1.00 32.35 H new ATOM 0 HE ARG A 56 -8.467 -0.810 -2.331 1.00 14.42 H new ATOM 0 HH11 ARG A 56 -9.363 -3.553 -4.351 1.00 55.40 H new ATOM 0 HH12 ARG A 56 -11.021 -2.976 -4.545 1.00 55.40 H new ATOM 0 HH21 ARG A 56 -10.551 -0.151 -2.604 1.00 34.21 H new ATOM 0 HH22 ARG A 56 -11.674 -1.101 -3.581 1.00 34.21 H new ATOM 884 N ALA A 57 -5.437 -3.049 1.283 1.00 72.02 N ATOM 885 CA ALA A 57 -5.944 -3.343 2.648 1.00 63.23 C ATOM 886 C ALA A 57 -4.858 -3.086 3.730 1.00 11.44 C ATOM 887 O ALA A 57 -5.109 -2.409 4.731 1.00 45.14 O ATOM 888 CB ALA A 57 -6.453 -4.794 2.718 1.00 21.52 C ATOM 0 H ALA A 57 -5.344 -3.876 0.693 1.00 72.02 H new ATOM 0 HA ALA A 57 -6.773 -2.666 2.855 1.00 63.23 H new ATOM 0 HB1 ALA A 57 -6.823 -5.002 3.722 1.00 21.52 H new ATOM 0 HB2 ALA A 57 -7.260 -4.932 1.998 1.00 21.52 H new ATOM 0 HB3 ALA A 57 -5.637 -5.478 2.483 1.00 21.52 H new ATOM 894 N VAL A 58 -3.644 -3.614 3.488 1.00 5.53 N ATOM 895 CA VAL A 58 -2.455 -3.416 4.367 1.00 53.14 C ATOM 896 C VAL A 58 -2.006 -1.926 4.377 1.00 53.33 C ATOM 897 O VAL A 58 -1.458 -1.424 5.364 1.00 50.43 O ATOM 898 CB VAL A 58 -1.277 -4.364 3.915 1.00 5.00 C ATOM 899 CG1 VAL A 58 -0.004 -4.186 4.779 1.00 1.12 C ATOM 900 CG2 VAL A 58 -1.745 -5.839 3.926 1.00 74.10 C ATOM 0 H VAL A 58 -3.449 -4.196 2.673 1.00 5.53 H new ATOM 0 HA VAL A 58 -2.734 -3.679 5.387 1.00 53.14 H new ATOM 0 HB VAL A 58 -1.006 -4.080 2.898 1.00 5.00 H new ATOM 0 HG11 VAL A 58 0.774 -4.862 4.424 1.00 1.12 H new ATOM 0 HG12 VAL A 58 0.347 -3.157 4.702 1.00 1.12 H new ATOM 0 HG13 VAL A 58 -0.236 -4.414 5.819 1.00 1.12 H new ATOM 0 HG21 VAL A 58 -0.924 -6.484 3.612 1.00 74.10 H new ATOM 0 HG22 VAL A 58 -2.058 -6.114 4.933 1.00 74.10 H new ATOM 0 HG23 VAL A 58 -2.583 -5.960 3.240 1.00 74.10 H new ATOM 910 N ALA A 59 -2.246 -1.241 3.258 1.00 23.42 N ATOM 911 CA ALA A 59 -2.040 0.216 3.131 1.00 12.31 C ATOM 912 C ALA A 59 -3.123 1.033 3.890 1.00 63.20 C ATOM 913 O ALA A 59 -2.875 2.164 4.305 1.00 53.14 O ATOM 914 CB ALA A 59 -2.008 0.587 1.649 1.00 55.24 C ATOM 0 H ALA A 59 -2.592 -1.678 2.404 1.00 23.42 H new ATOM 0 HA ALA A 59 -1.087 0.471 3.594 1.00 12.31 H new ATOM 0 HB1 ALA A 59 -1.856 1.661 1.546 1.00 55.24 H new ATOM 0 HB2 ALA A 59 -1.192 0.057 1.159 1.00 55.24 H new ATOM 0 HB3 ALA A 59 -2.953 0.308 1.184 1.00 55.24 H new ATOM 920 N LEU A 60 -4.327 0.447 4.045 1.00 2.34 N ATOM 921 CA LEU A 60 -5.445 1.047 4.824 1.00 3.31 C ATOM 922 C LEU A 60 -5.355 0.692 6.324 1.00 1.15 C ATOM 923 O LEU A 60 -6.191 1.157 7.118 1.00 73.03 O ATOM 924 CB LEU A 60 -6.824 0.588 4.262 1.00 51.42 C ATOM 925 CG LEU A 60 -7.288 1.257 2.934 1.00 44.04 C ATOM 926 CD1 LEU A 60 -8.618 0.646 2.449 1.00 4.32 C ATOM 927 CD2 LEU A 60 -7.400 2.788 3.093 1.00 73.30 C ATOM 0 H LEU A 60 -4.559 -0.458 3.635 1.00 2.34 H new ATOM 0 HA LEU A 60 -5.357 2.129 4.722 1.00 3.31 H new ATOM 0 HB2 LEU A 60 -6.788 -0.490 4.107 1.00 51.42 H new ATOM 0 HB3 LEU A 60 -7.582 0.776 5.022 1.00 51.42 H new ATOM 0 HG LEU A 60 -6.532 1.060 2.174 1.00 44.04 H new ATOM 0 HD11 LEU A 60 -8.923 1.128 1.520 1.00 4.32 H new ATOM 0 HD12 LEU A 60 -8.486 -0.422 2.277 1.00 4.32 H new ATOM 0 HD13 LEU A 60 -9.387 0.799 3.207 1.00 4.32 H new ATOM 0 HD21 LEU A 60 -7.726 3.229 2.151 1.00 73.30 H new ATOM 0 HD22 LEU A 60 -8.126 3.021 3.872 1.00 73.30 H new ATOM 0 HD23 LEU A 60 -6.428 3.197 3.368 1.00 73.30 H new ATOM 939 N SER A 61 -4.361 -0.147 6.679 1.00 33.34 N ATOM 940 CA SER A 61 -4.139 -0.662 8.046 1.00 3.42 C ATOM 941 C SER A 61 -4.199 0.437 9.125 1.00 41.24 C ATOM 942 O SER A 61 -3.611 1.514 8.969 1.00 64.23 O ATOM 943 CB SER A 61 -2.765 -1.355 8.118 1.00 24.45 C ATOM 944 OG SER A 61 -2.528 -1.927 9.383 1.00 1.41 O ATOM 0 H SER A 61 -3.675 -0.493 6.009 1.00 33.34 H new ATOM 0 HA SER A 61 -4.946 -1.365 8.251 1.00 3.42 H new ATOM 0 HB2 SER A 61 -2.709 -2.130 7.354 1.00 24.45 H new ATOM 0 HB3 SER A 61 -1.982 -0.631 7.895 1.00 24.45 H new ATOM 0 HG SER A 61 -1.648 -2.358 9.387 1.00 1.41 H new ATOM 950 N GLU A 62 -4.918 0.134 10.217 1.00 11.34 N ATOM 951 CA GLU A 62 -4.994 1.007 11.398 1.00 74.51 C ATOM 952 C GLU A 62 -3.621 1.093 12.114 1.00 0.13 C ATOM 953 O GLU A 62 -3.325 2.081 12.785 1.00 20.13 O ATOM 954 CB GLU A 62 -6.088 0.502 12.367 1.00 64.50 C ATOM 955 CG GLU A 62 -5.863 -0.914 12.936 1.00 2.24 C ATOM 956 CD GLU A 62 -6.915 -1.305 13.983 1.00 21.34 C ATOM 957 OE1 GLU A 62 -6.724 -0.978 15.176 1.00 13.52 O ATOM 958 OE2 GLU A 62 -7.946 -1.915 13.614 1.00 41.20 O ATOM 0 H GLU A 62 -5.463 -0.724 10.306 1.00 11.34 H new ATOM 0 HA GLU A 62 -5.260 2.011 11.067 1.00 74.51 H new ATOM 0 HB2 GLU A 62 -6.164 1.202 13.199 1.00 64.50 H new ATOM 0 HB3 GLU A 62 -7.046 0.519 11.847 1.00 64.50 H new ATOM 0 HG2 GLU A 62 -5.882 -1.636 12.120 1.00 2.24 H new ATOM 0 HG3 GLU A 62 -4.871 -0.967 13.386 1.00 2.24 H new ATOM 965 N LEU A 63 -2.799 0.029 11.949 1.00 41.24 N ATOM 966 CA LEU A 63 -1.419 -0.034 12.483 1.00 32.53 C ATOM 967 C LEU A 63 -0.491 0.919 11.693 1.00 32.21 C ATOM 968 O LEU A 63 0.387 1.560 12.267 1.00 34.33 O ATOM 969 CB LEU A 63 -0.851 -1.495 12.436 1.00 22.44 C ATOM 970 CG LEU A 63 -1.626 -2.610 13.231 1.00 21.34 C ATOM 971 CD1 LEU A 63 -1.991 -2.153 14.661 1.00 60.33 C ATOM 972 CD2 LEU A 63 -2.862 -3.127 12.455 1.00 14.54 C ATOM 0 H LEU A 63 -3.076 -0.811 11.441 1.00 41.24 H new ATOM 0 HA LEU A 63 -1.454 0.282 13.526 1.00 32.53 H new ATOM 0 HB2 LEU A 63 -0.802 -1.802 11.391 1.00 22.44 H new ATOM 0 HB3 LEU A 63 0.173 -1.468 12.809 1.00 22.44 H new ATOM 0 HG LEU A 63 -0.944 -3.454 13.333 1.00 21.34 H new ATOM 0 HD11 LEU A 63 -2.525 -2.953 15.174 1.00 60.33 H new ATOM 0 HD12 LEU A 63 -1.080 -1.914 15.210 1.00 60.33 H new ATOM 0 HD13 LEU A 63 -2.626 -1.268 14.609 1.00 60.33 H new ATOM 0 HD21 LEU A 63 -3.365 -3.895 13.042 1.00 14.54 H new ATOM 0 HD22 LEU A 63 -3.549 -2.301 12.273 1.00 14.54 H new ATOM 0 HD23 LEU A 63 -2.543 -3.550 11.502 1.00 14.54 H new ATOM 984 N TYR A 64 -0.713 1.012 10.365 1.00 34.44 N ATOM 985 CA TYR A 64 0.054 1.917 9.476 1.00 35.32 C ATOM 986 C TYR A 64 -0.345 3.394 9.732 1.00 70.22 C ATOM 987 O TYR A 64 0.511 4.291 9.756 1.00 31.53 O ATOM 988 CB TYR A 64 -0.183 1.525 7.989 1.00 73.13 C ATOM 989 CG TYR A 64 0.611 2.360 6.968 1.00 23.34 C ATOM 990 CD1 TYR A 64 2.000 2.464 7.064 1.00 11.22 C ATOM 991 CD2 TYR A 64 -0.017 3.055 5.927 1.00 34.02 C ATOM 992 CE1 TYR A 64 2.729 3.218 6.170 1.00 30.41 C ATOM 993 CE2 TYR A 64 0.715 3.812 5.027 1.00 64.03 C ATOM 994 CZ TYR A 64 2.088 3.888 5.157 1.00 21.12 C ATOM 995 OH TYR A 64 2.825 4.642 4.271 1.00 42.03 O ATOM 0 H TYR A 64 -1.424 0.466 9.879 1.00 34.44 H new ATOM 0 HA TYR A 64 1.117 1.814 9.695 1.00 35.32 H new ATOM 0 HB2 TYR A 64 0.077 0.474 7.859 1.00 73.13 H new ATOM 0 HB3 TYR A 64 -1.246 1.620 7.767 1.00 73.13 H new ATOM 0 HD1 TYR A 64 2.515 1.942 7.857 1.00 11.22 H new ATOM 0 HD2 TYR A 64 -1.091 3.000 5.824 1.00 34.02 H new ATOM 0 HE1 TYR A 64 3.803 3.282 6.266 1.00 30.41 H new ATOM 0 HE2 TYR A 64 0.215 4.340 4.228 1.00 64.03 H new ATOM 0 HH TYR A 64 3.691 4.211 4.116 1.00 42.03 H new ATOM 1005 N ARG A 65 -1.661 3.614 9.933 1.00 64.52 N ATOM 1006 CA ARG A 65 -2.229 4.945 10.240 1.00 40.24 C ATOM 1007 C ARG A 65 -1.693 5.487 11.587 1.00 42.40 C ATOM 1008 O ARG A 65 -1.181 6.593 11.662 1.00 32.23 O ATOM 1009 CB ARG A 65 -3.780 4.876 10.316 1.00 54.45 C ATOM 1010 CG ARG A 65 -4.481 6.264 10.344 1.00 33.33 C ATOM 1011 CD ARG A 65 -5.968 6.202 10.755 1.00 44.44 C ATOM 1012 NE ARG A 65 -6.697 5.083 10.123 1.00 21.24 N ATOM 1013 CZ ARG A 65 -7.839 5.169 9.472 1.00 43.02 C ATOM 1014 NH1 ARG A 65 -8.406 6.312 9.227 1.00 62.50 N ATOM 1015 NH2 ARG A 65 -8.395 4.090 9.049 1.00 24.10 N ATOM 0 H ARG A 65 -2.361 2.874 9.887 1.00 64.52 H new ATOM 0 HA ARG A 65 -1.927 5.616 9.436 1.00 40.24 H new ATOM 0 HB2 ARG A 65 -4.149 4.312 9.459 1.00 54.45 H new ATOM 0 HB3 ARG A 65 -4.064 4.320 11.210 1.00 54.45 H new ATOM 0 HG2 ARG A 65 -3.949 6.916 11.037 1.00 33.33 H new ATOM 0 HG3 ARG A 65 -4.405 6.719 9.356 1.00 33.33 H new ATOM 0 HD2 ARG A 65 -6.036 6.106 11.839 1.00 44.44 H new ATOM 0 HD3 ARG A 65 -6.452 7.141 10.487 1.00 44.44 H new ATOM 0 HE ARG A 65 -6.276 4.157 10.198 1.00 21.24 H new ATOM 0 HH11 ARG A 65 -7.966 7.177 9.541 1.00 62.50 H new ATOM 0 HH12 ARG A 65 -9.291 6.344 8.720 1.00 62.50 H new ATOM 0 HH21 ARG A 65 -7.952 3.187 9.219 1.00 24.10 H new ATOM 0 HH22 ARG A 65 -9.279 4.137 8.543 1.00 24.10 H new ATOM 1029 N GLU A 66 -1.826 4.675 12.646 1.00 52.44 N ATOM 1030 CA GLU A 66 -1.453 5.070 14.021 1.00 75.24 C ATOM 1031 C GLU A 66 0.068 5.358 14.112 1.00 21.50 C ATOM 1032 O GLU A 66 0.485 6.427 14.569 1.00 44.32 O ATOM 1033 CB GLU A 66 -1.903 3.954 15.028 1.00 51.01 C ATOM 1034 CG GLU A 66 -2.036 4.374 16.519 1.00 35.05 C ATOM 1035 CD GLU A 66 -0.703 4.612 17.258 1.00 24.21 C ATOM 1036 OE1 GLU A 66 -0.061 3.620 17.671 1.00 71.04 O ATOM 1037 OE2 GLU A 66 -0.299 5.785 17.437 1.00 54.41 O ATOM 0 H GLU A 66 -2.194 3.726 12.578 1.00 52.44 H new ATOM 0 HA GLU A 66 -1.967 5.993 14.288 1.00 75.24 H new ATOM 0 HB2 GLU A 66 -2.866 3.564 14.697 1.00 51.01 H new ATOM 0 HB3 GLU A 66 -1.189 3.133 14.968 1.00 51.01 H new ATOM 0 HG2 GLU A 66 -2.629 5.287 16.571 1.00 35.05 H new ATOM 0 HG3 GLU A 66 -2.593 3.601 17.049 1.00 35.05 H new ATOM 1044 N LYS A 67 0.867 4.427 13.588 1.00 22.42 N ATOM 1045 CA LYS A 67 2.338 4.462 13.708 1.00 3.32 C ATOM 1046 C LYS A 67 2.999 5.603 12.881 1.00 40.00 C ATOM 1047 O LYS A 67 3.911 6.273 13.365 1.00 63.23 O ATOM 1048 CB LYS A 67 2.903 3.078 13.301 1.00 21.12 C ATOM 1049 CG LYS A 67 4.426 2.920 13.454 1.00 21.21 C ATOM 1050 CD LYS A 67 4.918 1.485 13.154 1.00 10.22 C ATOM 1051 CE LYS A 67 6.449 1.358 13.240 1.00 32.20 C ATOM 1052 NZ LYS A 67 6.973 1.728 14.581 1.00 23.35 N ATOM 0 H LYS A 67 0.518 3.623 13.066 1.00 22.42 H new ATOM 0 HA LYS A 67 2.584 4.680 14.747 1.00 3.32 H new ATOM 0 HB2 LYS A 67 2.412 2.312 13.902 1.00 21.12 H new ATOM 0 HB3 LYS A 67 2.637 2.886 12.262 1.00 21.12 H new ATOM 0 HG2 LYS A 67 4.927 3.618 12.783 1.00 21.21 H new ATOM 0 HG3 LYS A 67 4.714 3.192 14.470 1.00 21.21 H new ATOM 0 HD2 LYS A 67 4.459 0.792 13.859 1.00 10.22 H new ATOM 0 HD3 LYS A 67 4.588 1.192 12.158 1.00 10.22 H new ATOM 0 HE2 LYS A 67 6.740 0.333 13.009 1.00 32.20 H new ATOM 0 HE3 LYS A 67 6.907 1.997 12.485 1.00 32.20 H new ATOM 0 HZ1 LYS A 67 7.993 1.530 14.622 1.00 23.35 H new ATOM 0 HZ2 LYS A 67 6.810 2.741 14.750 1.00 23.35 H new ATOM 0 HZ3 LYS A 67 6.483 1.172 15.311 1.00 23.35 H new ATOM 1066 N PHE A 68 2.544 5.818 11.636 1.00 21.21 N ATOM 1067 CA PHE A 68 3.206 6.779 10.700 1.00 12.42 C ATOM 1068 C PHE A 68 2.460 8.125 10.534 1.00 23.32 C ATOM 1069 O PHE A 68 3.029 9.070 9.976 1.00 55.14 O ATOM 1070 CB PHE A 68 3.450 6.093 9.336 1.00 61.31 C ATOM 1071 CG PHE A 68 4.452 4.941 9.425 1.00 24.50 C ATOM 1072 CD1 PHE A 68 5.823 5.187 9.389 1.00 32.24 C ATOM 1073 CD2 PHE A 68 4.025 3.622 9.578 1.00 13.45 C ATOM 1074 CE1 PHE A 68 6.735 4.153 9.495 1.00 72.32 C ATOM 1075 CE2 PHE A 68 4.936 2.591 9.685 1.00 30.05 C ATOM 1076 CZ PHE A 68 6.291 2.857 9.645 1.00 13.03 C ATOM 0 H PHE A 68 1.727 5.349 11.244 1.00 21.21 H new ATOM 0 HA PHE A 68 4.160 7.048 11.153 1.00 12.42 H new ATOM 0 HB2 PHE A 68 2.503 5.716 8.949 1.00 61.31 H new ATOM 0 HB3 PHE A 68 3.815 6.832 8.622 1.00 61.31 H new ATOM 0 HD1 PHE A 68 6.179 6.201 9.277 1.00 32.24 H new ATOM 0 HD2 PHE A 68 2.968 3.405 9.613 1.00 13.45 H new ATOM 0 HE1 PHE A 68 7.794 4.361 9.460 1.00 72.32 H new ATOM 0 HE2 PHE A 68 4.589 1.575 9.800 1.00 30.05 H new ATOM 0 HZ PHE A 68 7.003 2.049 9.731 1.00 13.03 H new ATOM 1086 N PHE A 69 1.186 8.216 10.945 1.00 51.41 N ATOM 1087 CA PHE A 69 0.476 9.524 10.997 1.00 74.05 C ATOM 1088 C PHE A 69 0.611 10.208 12.388 1.00 24.45 C ATOM 1089 O PHE A 69 0.733 11.435 12.460 1.00 53.42 O ATOM 1090 CB PHE A 69 -1.011 9.388 10.572 1.00 22.55 C ATOM 1091 CG PHE A 69 -1.772 10.712 10.519 1.00 21.04 C ATOM 1092 CD1 PHE A 69 -1.397 11.718 9.623 1.00 14.52 C ATOM 1093 CD2 PHE A 69 -2.854 10.960 11.367 1.00 33.34 C ATOM 1094 CE1 PHE A 69 -2.080 12.917 9.581 1.00 60.10 C ATOM 1095 CE2 PHE A 69 -3.534 12.161 11.320 1.00 71.32 C ATOM 1096 CZ PHE A 69 -3.147 13.138 10.427 1.00 61.01 C ATOM 0 H PHE A 69 0.625 7.419 11.244 1.00 51.41 H new ATOM 0 HA PHE A 69 0.964 10.176 10.272 1.00 74.05 H new ATOM 0 HB2 PHE A 69 -1.055 8.917 9.590 1.00 22.55 H new ATOM 0 HB3 PHE A 69 -1.516 8.719 11.269 1.00 22.55 H new ATOM 0 HD1 PHE A 69 -0.563 11.555 8.956 1.00 14.52 H new ATOM 0 HD2 PHE A 69 -3.163 10.201 12.070 1.00 33.34 H new ATOM 0 HE1 PHE A 69 -1.778 13.684 8.884 1.00 60.10 H new ATOM 0 HE2 PHE A 69 -4.369 12.335 11.983 1.00 71.32 H new ATOM 0 HZ PHE A 69 -3.680 14.077 10.390 1.00 61.01 H new ATOM 1106 N HIS A 70 0.564 9.435 13.502 1.00 62.53 N ATOM 1107 CA HIS A 70 0.609 10.035 14.873 1.00 33.41 C ATOM 1108 C HIS A 70 2.054 10.164 15.420 1.00 51.13 C ATOM 1109 O HIS A 70 2.377 11.156 16.070 1.00 3.02 O ATOM 1110 CB HIS A 70 -0.268 9.237 15.869 1.00 14.42 C ATOM 1111 CG HIS A 70 -1.718 9.150 15.474 1.00 72.12 C ATOM 1112 ND1 HIS A 70 -2.577 8.110 15.491 1.00 64.42 N flip ATOM 1113 CD2 HIS A 70 -2.436 10.218 14.980 1.00 15.23 C flip ATOM 1114 CE1 HIS A 70 -3.777 8.558 15.010 1.00 42.42 C flip ATOM 1115 NE2 HIS A 70 -3.666 9.832 14.711 1.00 22.24 N flip ATOM 0 H HIS A 70 0.496 8.417 13.488 1.00 62.53 H new ATOM 0 HA HIS A 70 0.203 11.042 14.776 1.00 33.41 H new ATOM 0 HB2 HIS A 70 0.134 8.228 15.963 1.00 14.42 H new ATOM 0 HB3 HIS A 70 -0.197 9.701 16.853 1.00 14.42 H new ATOM 0 HD2 HIS A 70 -2.050 11.216 14.836 1.00 15.23 H new ATOM 0 HE1 HIS A 70 -4.670 7.961 14.895 1.00 42.42 H new ATOM 0 HE2 HIS A 70 -4.407 10.423 14.334 1.00 22.24 H new ATOM 1124 N ASN A 71 2.932 9.177 15.142 1.00 24.31 N ATOM 1125 CA ASN A 71 4.350 9.217 15.616 1.00 43.21 C ATOM 1126 C ASN A 71 5.294 9.899 14.583 1.00 72.42 C ATOM 1127 O ASN A 71 6.509 9.977 14.795 1.00 11.43 O ATOM 1128 CB ASN A 71 4.843 7.790 15.953 1.00 1.30 C ATOM 1129 CG ASN A 71 3.950 7.079 16.970 1.00 40.10 C ATOM 1130 OD1 ASN A 71 2.970 6.432 16.613 1.00 60.32 O ATOM 1131 ND2 ASN A 71 4.278 7.187 18.243 1.00 63.32 N ATOM 0 H ASN A 71 2.697 8.347 14.598 1.00 24.31 H new ATOM 0 HA ASN A 71 4.377 9.824 16.521 1.00 43.21 H new ATOM 0 HB2 ASN A 71 4.885 7.200 15.038 1.00 1.30 H new ATOM 0 HB3 ASN A 71 5.859 7.844 16.344 1.00 1.30 H new ATOM 0 HD21 ASN A 71 3.712 6.727 18.956 1.00 63.32 H new ATOM 0 HD22 ASN A 71 5.097 7.731 18.514 1.00 63.32 H new ATOM 1138 N ASN A 72 4.707 10.405 13.482 1.00 41.13 N ATOM 1139 CA ASN A 72 5.443 11.043 12.364 1.00 31.23 C ATOM 1140 C ASN A 72 4.610 12.203 11.747 1.00 52.24 C ATOM 1141 O ASN A 72 3.376 12.200 11.816 1.00 23.41 O ATOM 1142 CB ASN A 72 5.764 9.953 11.298 1.00 55.11 C ATOM 1143 CG ASN A 72 6.483 10.469 10.052 1.00 5.24 C ATOM 1144 OD1 ASN A 72 7.341 11.343 10.125 1.00 40.15 O ATOM 1145 ND2 ASN A 72 6.108 9.961 8.889 1.00 23.23 N ATOM 0 H ASN A 72 3.697 10.384 13.338 1.00 41.13 H new ATOM 0 HA ASN A 72 6.373 11.476 12.732 1.00 31.23 H new ATOM 0 HB2 ASN A 72 6.378 9.181 11.761 1.00 55.11 H new ATOM 0 HB3 ASN A 72 4.832 9.478 10.992 1.00 55.11 H new ATOM 0 HD21 ASN A 72 6.535 10.295 8.025 1.00 23.23 H new ATOM 0 HD22 ASN A 72 5.392 9.235 8.857 1.00 23.23 H new ATOM 1152 N ALA A 73 5.307 13.185 11.132 1.00 12.13 N ATOM 1153 CA ALA A 73 4.683 14.352 10.458 1.00 72.20 C ATOM 1154 C ALA A 73 3.981 13.936 9.141 1.00 12.31 C ATOM 1155 O ALA A 73 4.508 13.100 8.408 1.00 2.45 O ATOM 1156 CB ALA A 73 5.742 15.435 10.185 1.00 70.21 C ATOM 0 H ALA A 73 6.326 13.192 11.088 1.00 12.13 H new ATOM 0 HA ALA A 73 3.922 14.759 11.124 1.00 72.20 H new ATOM 0 HB1 ALA A 73 5.273 16.286 9.691 1.00 70.21 H new ATOM 0 HB2 ALA A 73 6.181 15.760 11.128 1.00 70.21 H new ATOM 0 HB3 ALA A 73 6.522 15.027 9.543 1.00 70.21 H new ATOM 1162 N HIS A 74 2.793 14.519 8.866 1.00 22.32 N ATOM 1163 CA HIS A 74 1.973 14.192 7.668 1.00 65.54 C ATOM 1164 C HIS A 74 2.726 14.475 6.336 1.00 1.51 C ATOM 1165 O HIS A 74 2.574 13.728 5.365 1.00 25.21 O ATOM 1166 CB HIS A 74 0.635 14.968 7.712 1.00 32.51 C ATOM 1167 CG HIS A 74 -0.337 14.600 6.611 1.00 40.53 C ATOM 1168 ND1 HIS A 74 -1.071 15.552 5.953 1.00 42.13 N ATOM 1169 CD2 HIS A 74 -0.643 13.380 6.096 1.00 22.35 C ATOM 1170 CE1 HIS A 74 -1.792 14.903 5.067 1.00 31.14 C ATOM 1171 NE2 HIS A 74 -1.567 13.586 5.111 1.00 33.42 N ATOM 0 H HIS A 74 2.372 15.229 9.465 1.00 22.32 H new ATOM 0 HA HIS A 74 1.771 13.121 7.695 1.00 65.54 H new ATOM 0 HB2 HIS A 74 0.158 14.791 8.676 1.00 32.51 H new ATOM 0 HB3 HIS A 74 0.846 16.036 7.652 1.00 32.51 H new ATOM 0 HD2 HIS A 74 -0.234 12.430 6.406 1.00 22.35 H new ATOM 0 HE1 HIS A 74 -2.483 15.376 4.385 1.00 31.14 H new ATOM 0 HE2 HIS A 74 -2.001 12.874 4.524 1.00 33.42 H new ATOM 1179 N ASN A 75 3.530 15.556 6.313 1.00 35.44 N ATOM 1180 CA ASN A 75 4.461 15.863 5.190 1.00 72.44 C ATOM 1181 C ASN A 75 5.369 14.647 4.867 1.00 2.22 C ATOM 1182 O ASN A 75 5.497 14.242 3.705 1.00 22.15 O ATOM 1183 CB ASN A 75 5.322 17.105 5.555 1.00 23.03 C ATOM 1184 CG ASN A 75 6.440 17.465 4.552 1.00 60.55 C ATOM 1185 OD1 ASN A 75 6.237 17.237 3.264 1.00 2.11 O flip ATOM 1186 ND2 ASN A 75 7.487 17.964 4.941 1.00 2.13 N flip ATOM 0 H ASN A 75 3.559 16.244 7.066 1.00 35.44 H new ATOM 0 HA ASN A 75 3.873 16.081 4.299 1.00 72.44 H new ATOM 0 HB2 ASN A 75 4.660 17.965 5.657 1.00 23.03 H new ATOM 0 HB3 ASN A 75 5.776 16.935 6.531 1.00 23.03 H new ATOM 0 HD21 ASN A 75 7.632 18.135 5.936 1.00 2.13 H new ATOM 0 HD22 ASN A 75 8.215 18.209 4.270 1.00 2.13 H new ATOM 1193 N ARG A 76 5.962 14.061 5.925 1.00 25.33 N ATOM 1194 CA ARG A 76 6.833 12.876 5.802 1.00 13.31 C ATOM 1195 C ARG A 76 6.010 11.589 5.533 1.00 50.00 C ATOM 1196 O ARG A 76 6.486 10.692 4.849 1.00 75.25 O ATOM 1197 CB ARG A 76 7.716 12.702 7.074 1.00 63.32 C ATOM 1198 CG ARG A 76 8.818 11.614 6.948 1.00 52.10 C ATOM 1199 CD ARG A 76 9.775 11.915 5.782 1.00 33.11 C ATOM 1200 NE ARG A 76 10.800 10.882 5.572 1.00 2.24 N ATOM 1201 CZ ARG A 76 11.634 10.858 4.551 1.00 71.41 C ATOM 1202 NH1 ARG A 76 11.554 11.735 3.590 1.00 60.15 N ATOM 1203 NH2 ARG A 76 12.550 9.950 4.502 1.00 45.12 N ATOM 0 H ARG A 76 5.852 14.393 6.883 1.00 25.33 H new ATOM 0 HA ARG A 76 7.487 13.039 4.945 1.00 13.31 H new ATOM 0 HB2 ARG A 76 8.190 13.656 7.306 1.00 63.32 H new ATOM 0 HB3 ARG A 76 7.072 12.453 7.917 1.00 63.32 H new ATOM 0 HG2 ARG A 76 9.383 11.557 7.878 1.00 52.10 H new ATOM 0 HG3 ARG A 76 8.353 10.640 6.797 1.00 52.10 H new ATOM 0 HD2 ARG A 76 9.193 12.027 4.867 1.00 33.11 H new ATOM 0 HD3 ARG A 76 10.267 12.870 5.966 1.00 33.11 H new ATOM 0 HE ARG A 76 10.871 10.134 6.262 1.00 2.24 H new ATOM 0 HH11 ARG A 76 10.836 12.459 3.618 1.00 60.15 H new ATOM 0 HH12 ARG A 76 12.210 11.698 2.810 1.00 60.15 H new ATOM 0 HH21 ARG A 76 12.624 9.259 5.249 1.00 45.12 H new ATOM 0 HH22 ARG A 76 13.200 9.923 3.716 1.00 45.12 H new ATOM 1217 N PHE A 77 4.772 11.526 6.066 1.00 4.54 N ATOM 1218 CA PHE A 77 3.853 10.371 5.882 1.00 70.22 C ATOM 1219 C PHE A 77 3.521 10.154 4.384 1.00 23.03 C ATOM 1220 O PHE A 77 3.449 9.021 3.925 1.00 51.33 O ATOM 1221 CB PHE A 77 2.547 10.569 6.706 1.00 14.44 C ATOM 1222 CG PHE A 77 1.478 9.486 6.497 1.00 74.01 C ATOM 1223 CD1 PHE A 77 1.683 8.188 6.962 1.00 10.34 C ATOM 1224 CD2 PHE A 77 0.278 9.757 5.826 1.00 74.13 C ATOM 1225 CE1 PHE A 77 0.734 7.201 6.772 1.00 0.20 C ATOM 1226 CE2 PHE A 77 -0.670 8.767 5.636 1.00 12.34 C ATOM 1227 CZ PHE A 77 -0.441 7.491 6.111 1.00 5.22 C ATOM 0 H PHE A 77 4.376 12.272 6.637 1.00 4.54 H new ATOM 0 HA PHE A 77 4.361 9.479 6.248 1.00 70.22 H new ATOM 0 HB2 PHE A 77 2.805 10.605 7.764 1.00 14.44 H new ATOM 0 HB3 PHE A 77 2.117 11.537 6.450 1.00 14.44 H new ATOM 0 HD1 PHE A 77 2.600 7.949 7.480 1.00 10.34 H new ATOM 0 HD2 PHE A 77 0.090 10.753 5.452 1.00 74.13 H new ATOM 0 HE1 PHE A 77 0.913 6.202 7.141 1.00 0.20 H new ATOM 0 HE2 PHE A 77 -1.589 8.993 5.116 1.00 12.34 H new ATOM 0 HZ PHE A 77 -1.183 6.720 5.965 1.00 5.22 H new ATOM 1237 N ILE A 78 3.315 11.263 3.652 1.00 24.11 N ATOM 1238 CA ILE A 78 3.076 11.246 2.185 1.00 24.14 C ATOM 1239 C ILE A 78 4.334 10.759 1.413 1.00 22.13 C ATOM 1240 O ILE A 78 4.223 9.976 0.462 1.00 32.44 O ATOM 1241 CB ILE A 78 2.629 12.675 1.690 1.00 4.51 C ATOM 1242 CG1 ILE A 78 1.297 13.093 2.402 1.00 51.12 C ATOM 1243 CG2 ILE A 78 2.481 12.747 0.141 1.00 10.54 C ATOM 1244 CD1 ILE A 78 0.857 14.521 2.151 1.00 21.53 C ATOM 0 H ILE A 78 3.308 12.200 4.054 1.00 24.11 H new ATOM 0 HA ILE A 78 2.272 10.539 1.979 1.00 24.14 H new ATOM 0 HB ILE A 78 3.415 13.380 1.959 1.00 4.51 H new ATOM 0 HG12 ILE A 78 0.503 12.421 2.076 1.00 51.12 H new ATOM 0 HG13 ILE A 78 1.416 12.949 3.476 1.00 51.12 H new ATOM 0 HG21 ILE A 78 2.172 13.751 -0.149 1.00 10.54 H new ATOM 0 HG22 ILE A 78 3.437 12.513 -0.327 1.00 10.54 H new ATOM 0 HG23 ILE A 78 1.731 12.028 -0.187 1.00 10.54 H new ATOM 0 HD11 ILE A 78 -0.073 14.714 2.685 1.00 21.53 H new ATOM 0 HD12 ILE A 78 1.627 15.206 2.504 1.00 21.53 H new ATOM 0 HD13 ILE A 78 0.700 14.671 1.083 1.00 21.53 H new ATOM 1256 N GLU A 79 5.532 11.220 1.849 1.00 75.51 N ATOM 1257 CA GLU A 79 6.831 10.787 1.264 1.00 5.43 C ATOM 1258 C GLU A 79 7.068 9.272 1.451 1.00 21.01 C ATOM 1259 O GLU A 79 7.517 8.574 0.529 1.00 12.21 O ATOM 1260 CB GLU A 79 8.010 11.584 1.880 1.00 53.35 C ATOM 1261 CG GLU A 79 7.939 13.105 1.656 1.00 15.54 C ATOM 1262 CD GLU A 79 9.161 13.848 2.218 1.00 73.34 C ATOM 1263 OE1 GLU A 79 9.200 14.115 3.435 1.00 11.10 O ATOM 1264 OE2 GLU A 79 10.100 14.150 1.452 1.00 11.22 O ATOM 0 H GLU A 79 5.628 11.895 2.608 1.00 75.51 H new ATOM 0 HA GLU A 79 6.783 10.993 0.195 1.00 5.43 H new ATOM 0 HB2 GLU A 79 8.043 11.389 2.952 1.00 53.35 H new ATOM 0 HB3 GLU A 79 8.944 11.211 1.459 1.00 53.35 H new ATOM 0 HG2 GLU A 79 7.857 13.307 0.588 1.00 15.54 H new ATOM 0 HG3 GLU A 79 7.035 13.495 2.125 1.00 15.54 H new ATOM 1271 N LEU A 80 6.753 8.785 2.658 1.00 71.31 N ATOM 1272 CA LEU A 80 6.849 7.363 3.006 1.00 71.20 C ATOM 1273 C LEU A 80 5.829 6.538 2.193 1.00 3.11 C ATOM 1274 O LEU A 80 6.195 5.578 1.540 1.00 61.03 O ATOM 1275 CB LEU A 80 6.628 7.162 4.529 1.00 52.20 C ATOM 1276 CG LEU A 80 7.689 7.823 5.472 1.00 71.20 C ATOM 1277 CD1 LEU A 80 7.354 7.569 6.959 1.00 72.31 C ATOM 1278 CD2 LEU A 80 9.124 7.363 5.122 1.00 62.44 C ATOM 0 H LEU A 80 6.422 9.371 3.425 1.00 71.31 H new ATOM 0 HA LEU A 80 7.850 7.011 2.756 1.00 71.20 H new ATOM 0 HB2 LEU A 80 5.646 7.557 4.788 1.00 52.20 H new ATOM 0 HB3 LEU A 80 6.606 6.092 4.734 1.00 52.20 H new ATOM 0 HG LEU A 80 7.649 8.900 5.309 1.00 71.20 H new ATOM 0 HD11 LEU A 80 8.109 8.041 7.588 1.00 72.31 H new ATOM 0 HD12 LEU A 80 6.376 7.991 7.189 1.00 72.31 H new ATOM 0 HD13 LEU A 80 7.341 6.496 7.151 1.00 72.31 H new ATOM 0 HD21 LEU A 80 9.834 7.841 5.796 1.00 62.44 H new ATOM 0 HD22 LEU A 80 9.195 6.281 5.228 1.00 62.44 H new ATOM 0 HD23 LEU A 80 9.355 7.642 4.094 1.00 62.44 H new ATOM 1290 N ASN A 81 4.565 6.983 2.197 1.00 64.43 N ATOM 1291 CA ASN A 81 3.438 6.292 1.522 1.00 33.11 C ATOM 1292 C ASN A 81 3.689 6.154 -0.013 1.00 4.24 C ATOM 1293 O ASN A 81 3.296 5.167 -0.638 1.00 74.22 O ATOM 1294 CB ASN A 81 2.118 7.069 1.816 1.00 71.10 C ATOM 1295 CG ASN A 81 0.836 6.271 1.558 1.00 33.22 C ATOM 1296 OD1 ASN A 81 -0.250 6.953 1.223 1.00 63.13 O flip ATOM 1297 ND2 ASN A 81 0.815 5.054 1.692 1.00 23.41 N flip ATOM 0 H ASN A 81 4.285 7.841 2.672 1.00 64.43 H new ATOM 0 HA ASN A 81 3.353 5.279 1.915 1.00 33.11 H new ATOM 0 HB2 ASN A 81 2.126 7.391 2.857 1.00 71.10 H new ATOM 0 HB3 ASN A 81 2.099 7.970 1.203 1.00 71.10 H new ATOM 0 HD21 ASN A 81 1.666 4.555 1.950 1.00 23.41 H new ATOM 0 HD22 ASN A 81 -0.053 4.540 1.545 1.00 23.41 H new ATOM 1304 N PHE A 82 4.362 7.170 -0.584 1.00 52.32 N ATOM 1305 CA PHE A 82 4.810 7.195 -2.004 1.00 24.01 C ATOM 1306 C PHE A 82 5.817 6.048 -2.326 1.00 44.04 C ATOM 1307 O PHE A 82 5.623 5.289 -3.283 1.00 53.02 O ATOM 1308 CB PHE A 82 5.442 8.598 -2.334 1.00 24.44 C ATOM 1309 CG PHE A 82 4.584 9.494 -3.234 1.00 13.11 C ATOM 1310 CD1 PHE A 82 3.336 9.947 -2.828 1.00 5.34 C ATOM 1311 CD2 PHE A 82 5.020 9.856 -4.503 1.00 63.40 C ATOM 1312 CE1 PHE A 82 2.555 10.728 -3.664 1.00 3.22 C ATOM 1313 CE2 PHE A 82 4.239 10.630 -5.341 1.00 52.14 C ATOM 1314 CZ PHE A 82 3.009 11.064 -4.924 1.00 2.53 C ATOM 0 H PHE A 82 4.618 8.013 -0.071 1.00 52.32 H new ATOM 0 HA PHE A 82 3.935 7.032 -2.634 1.00 24.01 H new ATOM 0 HB2 PHE A 82 5.633 9.124 -1.398 1.00 24.44 H new ATOM 0 HB3 PHE A 82 6.407 8.442 -2.815 1.00 24.44 H new ATOM 0 HD1 PHE A 82 2.969 9.687 -1.846 1.00 5.34 H new ATOM 0 HD2 PHE A 82 5.991 9.525 -4.842 1.00 63.40 H new ATOM 0 HE1 PHE A 82 1.589 11.075 -3.329 1.00 3.22 H new ATOM 0 HE2 PHE A 82 4.599 10.892 -6.325 1.00 52.14 H new ATOM 0 HZ PHE A 82 2.396 11.667 -5.578 1.00 2.53 H new ATOM 1324 N LYS A 83 6.900 5.953 -1.528 1.00 14.34 N ATOM 1325 CA LYS A 83 7.949 4.910 -1.707 1.00 75.21 C ATOM 1326 C LYS A 83 7.462 3.504 -1.267 1.00 45.25 C ATOM 1327 O LYS A 83 8.017 2.487 -1.692 1.00 21.15 O ATOM 1328 CB LYS A 83 9.273 5.312 -0.998 1.00 53.34 C ATOM 1329 CG LYS A 83 9.218 5.349 0.546 1.00 42.03 C ATOM 1330 CD LYS A 83 10.481 5.980 1.175 1.00 12.41 C ATOM 1331 CE LYS A 83 10.614 7.479 0.854 1.00 43.50 C ATOM 1332 NZ LYS A 83 11.857 8.069 1.401 1.00 71.22 N ATOM 0 H LYS A 83 7.078 6.586 -0.748 1.00 14.34 H new ATOM 0 HA LYS A 83 8.156 4.845 -2.775 1.00 75.21 H new ATOM 0 HB2 LYS A 83 10.053 4.612 -1.299 1.00 53.34 H new ATOM 0 HB3 LYS A 83 9.572 6.297 -1.357 1.00 53.34 H new ATOM 0 HG2 LYS A 83 8.340 5.914 0.860 1.00 42.03 H new ATOM 0 HG3 LYS A 83 9.097 4.334 0.925 1.00 42.03 H new ATOM 0 HD2 LYS A 83 10.451 5.845 2.256 1.00 12.41 H new ATOM 0 HD3 LYS A 83 11.365 5.454 0.813 1.00 12.41 H new ATOM 0 HE2 LYS A 83 10.595 7.619 -0.227 1.00 43.50 H new ATOM 0 HE3 LYS A 83 9.754 8.012 1.260 1.00 43.50 H new ATOM 0 HZ1 LYS A 83 11.898 9.079 1.157 1.00 71.22 H new ATOM 0 HZ2 LYS A 83 11.866 7.962 2.435 1.00 71.22 H new ATOM 0 HZ3 LYS A 83 12.681 7.581 0.995 1.00 71.22 H new ATOM 1346 N HIS A 84 6.448 3.465 -0.386 1.00 25.33 N ATOM 1347 CA HIS A 84 5.843 2.205 0.103 1.00 35.23 C ATOM 1348 C HIS A 84 4.878 1.575 -0.933 1.00 71.22 C ATOM 1349 O HIS A 84 4.923 0.365 -1.181 1.00 24.14 O ATOM 1350 CB HIS A 84 5.094 2.464 1.434 1.00 45.40 C ATOM 1351 CG HIS A 84 5.981 2.831 2.601 1.00 13.34 C ATOM 1352 ND1 HIS A 84 5.486 3.330 3.781 1.00 72.40 N ATOM 1353 CD2 HIS A 84 7.331 2.777 2.765 1.00 25.33 C ATOM 1354 CE1 HIS A 84 6.474 3.561 4.612 1.00 52.23 C ATOM 1355 NE2 HIS A 84 7.603 3.237 4.025 1.00 43.40 N ATOM 0 H HIS A 84 6.022 4.303 0.010 1.00 25.33 H new ATOM 0 HA HIS A 84 6.654 1.494 0.265 1.00 35.23 H new ATOM 0 HB2 HIS A 84 4.373 3.266 1.278 1.00 45.40 H new ATOM 0 HB3 HIS A 84 4.526 1.571 1.695 1.00 45.40 H new ATOM 0 HD2 HIS A 84 8.052 2.435 2.037 1.00 25.33 H new ATOM 0 HE1 HIS A 84 6.375 3.953 5.614 1.00 52.23 H new ATOM 0 HE2 HIS A 84 8.531 3.315 4.440 1.00 43.40 H new ATOM 1364 N LEU A 85 4.006 2.408 -1.537 1.00 62.13 N ATOM 1365 CA LEU A 85 2.945 1.922 -2.453 1.00 61.10 C ATOM 1366 C LEU A 85 3.332 1.990 -3.942 1.00 21.34 C ATOM 1367 O LEU A 85 2.788 1.235 -4.725 1.00 64.13 O ATOM 1368 CB LEU A 85 1.610 2.680 -2.203 1.00 22.34 C ATOM 1369 CG LEU A 85 0.951 2.434 -0.809 1.00 73.23 C ATOM 1370 CD1 LEU A 85 -0.407 3.166 -0.682 1.00 45.10 C ATOM 1371 CD2 LEU A 85 0.806 0.917 -0.532 1.00 21.41 C ATOM 0 H LEU A 85 4.013 3.420 -1.409 1.00 62.13 H new ATOM 0 HA LEU A 85 2.812 0.865 -2.221 1.00 61.10 H new ATOM 0 HB2 LEU A 85 1.792 3.749 -2.316 1.00 22.34 H new ATOM 0 HB3 LEU A 85 0.899 2.394 -2.978 1.00 22.34 H new ATOM 0 HG LEU A 85 1.611 2.853 -0.049 1.00 73.23 H new ATOM 0 HD11 LEU A 85 -0.835 2.971 0.301 1.00 45.10 H new ATOM 0 HD12 LEU A 85 -0.255 4.238 -0.806 1.00 45.10 H new ATOM 0 HD13 LEU A 85 -1.088 2.805 -1.452 1.00 45.10 H new ATOM 0 HD21 LEU A 85 0.345 0.768 0.444 1.00 21.41 H new ATOM 0 HD22 LEU A 85 0.181 0.465 -1.302 1.00 21.41 H new ATOM 0 HD23 LEU A 85 1.791 0.449 -0.543 1.00 21.41 H new ATOM 1383 N LEU A 86 4.236 2.900 -4.347 1.00 44.50 N ATOM 1384 CA LEU A 86 4.694 2.980 -5.775 1.00 61.02 C ATOM 1385 C LEU A 86 6.233 2.852 -5.912 1.00 71.15 C ATOM 1386 O LEU A 86 6.730 2.666 -7.022 1.00 74.03 O ATOM 1387 CB LEU A 86 4.232 4.295 -6.473 1.00 40.44 C ATOM 1388 CG LEU A 86 2.694 4.579 -6.572 1.00 32.52 C ATOM 1389 CD1 LEU A 86 2.130 5.155 -5.259 1.00 42.35 C ATOM 1390 CD2 LEU A 86 2.365 5.502 -7.773 1.00 5.51 C ATOM 0 H LEU A 86 4.667 3.587 -3.728 1.00 44.50 H new ATOM 0 HA LEU A 86 4.225 2.131 -6.272 1.00 61.02 H new ATOM 0 HB2 LEU A 86 4.692 5.131 -5.946 1.00 40.44 H new ATOM 0 HB3 LEU A 86 4.637 4.295 -7.485 1.00 40.44 H new ATOM 0 HG LEU A 86 2.204 3.621 -6.743 1.00 32.52 H new ATOM 0 HD11 LEU A 86 1.061 5.337 -5.371 1.00 42.35 H new ATOM 0 HD12 LEU A 86 2.294 4.444 -4.450 1.00 42.35 H new ATOM 0 HD13 LEU A 86 2.635 6.092 -5.026 1.00 42.35 H new ATOM 0 HD21 LEU A 86 1.290 5.679 -7.812 1.00 5.51 H new ATOM 0 HD22 LEU A 86 2.885 6.453 -7.654 1.00 5.51 H new ATOM 0 HD23 LEU A 86 2.688 5.025 -8.698 1.00 5.51 H new ATOM 1402 N GLY A 87 6.976 2.978 -4.798 1.00 42.12 N ATOM 1403 CA GLY A 87 8.455 2.924 -4.824 1.00 10.21 C ATOM 1404 C GLY A 87 9.113 4.161 -5.461 1.00 12.03 C ATOM 1405 O GLY A 87 10.170 4.055 -6.093 1.00 30.12 O ATOM 0 H GLY A 87 6.581 3.118 -3.868 1.00 42.12 H new ATOM 0 HA2 GLY A 87 8.823 2.814 -3.804 1.00 10.21 H new ATOM 0 HA3 GLY A 87 8.767 2.035 -5.373 1.00 10.21 H new ATOM 1409 N ARG A 88 8.489 5.334 -5.266 1.00 4.30 N ATOM 1410 CA ARG A 88 8.925 6.621 -5.878 1.00 21.24 C ATOM 1411 C ARG A 88 9.094 7.733 -4.804 1.00 62.20 C ATOM 1412 O ARG A 88 8.716 7.558 -3.641 1.00 32.02 O ATOM 1413 CB ARG A 88 7.893 7.073 -6.960 1.00 31.13 C ATOM 1414 CG ARG A 88 6.437 7.122 -6.445 1.00 35.14 C ATOM 1415 CD ARG A 88 5.503 8.025 -7.268 1.00 64.14 C ATOM 1416 NE ARG A 88 5.286 7.615 -8.652 1.00 43.13 N ATOM 1417 CZ ARG A 88 4.855 8.422 -9.595 1.00 13.53 C ATOM 1418 NH1 ARG A 88 4.834 9.711 -9.427 1.00 0.05 N ATOM 1419 NH2 ARG A 88 4.487 7.944 -10.713 1.00 10.31 N ATOM 0 H ARG A 88 7.661 5.427 -4.677 1.00 4.30 H new ATOM 0 HA ARG A 88 9.895 6.459 -6.347 1.00 21.24 H new ATOM 0 HB2 ARG A 88 8.173 8.060 -7.327 1.00 31.13 H new ATOM 0 HB3 ARG A 88 7.947 6.391 -7.808 1.00 31.13 H new ATOM 0 HG2 ARG A 88 6.032 6.110 -6.439 1.00 35.14 H new ATOM 0 HG3 ARG A 88 6.441 7.470 -5.412 1.00 35.14 H new ATOM 0 HD2 ARG A 88 4.537 8.071 -6.766 1.00 64.14 H new ATOM 0 HD3 ARG A 88 5.911 9.036 -7.267 1.00 64.14 H new ATOM 0 HE ARG A 88 5.480 6.645 -8.902 1.00 43.13 H new ATOM 0 HH11 ARG A 88 5.157 10.116 -8.548 1.00 0.05 H new ATOM 0 HH12 ARG A 88 4.495 10.317 -10.174 1.00 0.05 H new ATOM 0 HH21 ARG A 88 4.527 6.938 -10.875 1.00 10.31 H new ATOM 0 HH22 ARG A 88 4.152 8.566 -11.448 1.00 10.31 H new ATOM 1433 N ALA A 89 9.641 8.891 -5.229 1.00 25.42 N ATOM 1434 CA ALA A 89 9.966 10.031 -4.336 1.00 73.15 C ATOM 1435 C ALA A 89 9.175 11.312 -4.744 1.00 54.04 C ATOM 1436 O ALA A 89 9.347 11.804 -5.866 1.00 24.01 O ATOM 1437 CB ALA A 89 11.484 10.293 -4.383 1.00 1.10 C ATOM 0 H ALA A 89 9.872 9.066 -6.207 1.00 25.42 H new ATOM 0 HA ALA A 89 9.671 9.777 -3.318 1.00 73.15 H new ATOM 0 HB1 ALA A 89 11.729 11.130 -3.729 1.00 1.10 H new ATOM 0 HB2 ALA A 89 12.017 9.403 -4.049 1.00 1.10 H new ATOM 0 HB3 ALA A 89 11.781 10.532 -5.404 1.00 1.10 H new ATOM 1443 N PRO A 90 8.284 11.874 -3.849 1.00 40.13 N ATOM 1444 CA PRO A 90 7.563 13.139 -4.120 1.00 53.22 C ATOM 1445 C PRO A 90 8.442 14.386 -3.817 1.00 53.14 C ATOM 1446 O PRO A 90 8.363 14.993 -2.737 1.00 51.23 O ATOM 1447 CB PRO A 90 6.334 13.040 -3.193 1.00 52.23 C ATOM 1448 CG PRO A 90 6.836 12.276 -2.006 1.00 24.40 C ATOM 1449 CD PRO A 90 7.909 11.320 -2.521 1.00 11.51 C ATOM 0 HA PRO A 90 7.290 13.264 -5.168 1.00 53.22 H new ATOM 0 HB2 PRO A 90 5.969 14.027 -2.907 1.00 52.23 H new ATOM 0 HB3 PRO A 90 5.507 12.523 -3.680 1.00 52.23 H new ATOM 0 HG2 PRO A 90 7.248 12.952 -1.257 1.00 24.40 H new ATOM 0 HG3 PRO A 90 6.025 11.726 -1.528 1.00 24.40 H new ATOM 0 HD2 PRO A 90 8.766 11.283 -1.848 1.00 11.51 H new ATOM 0 HD3 PRO A 90 7.528 10.302 -2.607 1.00 11.51 H new ATOM 1457 N TYR A 91 9.316 14.723 -4.777 1.00 44.24 N ATOM 1458 CA TYR A 91 10.230 15.885 -4.682 1.00 24.53 C ATOM 1459 C TYR A 91 9.457 17.232 -4.766 1.00 12.14 C ATOM 1460 O TYR A 91 9.905 18.251 -4.243 1.00 42.40 O ATOM 1461 CB TYR A 91 11.315 15.796 -5.800 1.00 24.23 C ATOM 1462 CG TYR A 91 10.754 15.669 -7.237 1.00 53.13 C ATOM 1463 CD1 TYR A 91 10.309 16.791 -7.947 1.00 31.04 C ATOM 1464 CD2 TYR A 91 10.640 14.424 -7.868 1.00 30.32 C ATOM 1465 CE1 TYR A 91 9.776 16.677 -9.212 1.00 54.42 C ATOM 1466 CE2 TYR A 91 10.112 14.313 -9.144 1.00 25.35 C ATOM 1467 CZ TYR A 91 9.681 15.439 -9.808 1.00 61.41 C ATOM 1468 OH TYR A 91 9.142 15.327 -11.072 1.00 14.52 O ATOM 0 H TYR A 91 9.414 14.199 -5.647 1.00 44.24 H new ATOM 0 HA TYR A 91 10.719 15.856 -3.708 1.00 24.53 H new ATOM 0 HB2 TYR A 91 11.945 16.684 -5.748 1.00 24.23 H new ATOM 0 HB3 TYR A 91 11.956 14.938 -5.598 1.00 24.23 H new ATOM 0 HD1 TYR A 91 10.385 17.768 -7.492 1.00 31.04 H new ATOM 0 HD2 TYR A 91 10.969 13.535 -7.351 1.00 30.32 H new ATOM 0 HE1 TYR A 91 9.433 17.557 -9.736 1.00 54.42 H new ATOM 0 HE2 TYR A 91 10.039 13.345 -9.617 1.00 25.35 H new ATOM 0 HH TYR A 91 9.148 14.387 -11.348 1.00 14.52 H new ATOM 1478 N ASP A 92 8.291 17.206 -5.429 1.00 25.15 N ATOM 1479 CA ASP A 92 7.481 18.403 -5.718 1.00 23.41 C ATOM 1480 C ASP A 92 6.506 18.714 -4.551 1.00 55.34 C ATOM 1481 O ASP A 92 5.711 17.855 -4.158 1.00 5.33 O ATOM 1482 CB ASP A 92 6.714 18.156 -7.042 1.00 25.03 C ATOM 1483 CG ASP A 92 5.899 19.366 -7.507 1.00 64.12 C ATOM 1484 OD1 ASP A 92 6.505 20.351 -7.965 1.00 62.14 O ATOM 1485 OD2 ASP A 92 4.660 19.339 -7.418 1.00 40.44 O ATOM 0 H ASP A 92 7.878 16.344 -5.784 1.00 25.15 H new ATOM 0 HA ASP A 92 8.128 19.274 -5.824 1.00 23.41 H new ATOM 0 HB2 ASP A 92 7.427 17.886 -7.821 1.00 25.03 H new ATOM 0 HB3 ASP A 92 6.045 17.305 -6.913 1.00 25.03 H new ATOM 1490 N GLN A 93 6.578 19.950 -4.010 1.00 35.21 N ATOM 1491 CA GLN A 93 5.714 20.391 -2.879 1.00 52.55 C ATOM 1492 C GLN A 93 4.217 20.492 -3.256 1.00 63.11 C ATOM 1493 O GLN A 93 3.368 20.318 -2.393 1.00 64.21 O ATOM 1494 CB GLN A 93 6.172 21.753 -2.299 1.00 12.44 C ATOM 1495 CG GLN A 93 7.515 21.740 -1.548 1.00 4.31 C ATOM 1496 CD GLN A 93 7.764 23.062 -0.818 1.00 14.05 C ATOM 1497 OE1 GLN A 93 8.344 23.994 -1.365 1.00 42.12 O ATOM 1498 NE2 GLN A 93 7.295 23.161 0.412 1.00 71.21 N ATOM 0 H GLN A 93 7.226 20.667 -4.336 1.00 35.21 H new ATOM 0 HA GLN A 93 5.825 19.612 -2.124 1.00 52.55 H new ATOM 0 HB2 GLN A 93 6.241 22.471 -3.116 1.00 12.44 H new ATOM 0 HB3 GLN A 93 5.400 22.116 -1.620 1.00 12.44 H new ATOM 0 HG2 GLN A 93 7.523 20.920 -0.830 1.00 4.31 H new ATOM 0 HG3 GLN A 93 8.325 21.555 -2.253 1.00 4.31 H new ATOM 0 HE21 GLN A 93 6.817 22.369 0.841 1.00 71.21 H new ATOM 0 HE22 GLN A 93 7.411 24.030 0.934 1.00 71.21 H new ATOM 1507 N ALA A 94 3.908 20.808 -4.528 1.00 5.20 N ATOM 1508 CA ALA A 94 2.509 20.870 -5.020 1.00 31.34 C ATOM 1509 C ALA A 94 1.868 19.465 -5.058 1.00 74.32 C ATOM 1510 O ALA A 94 0.667 19.320 -4.846 1.00 23.32 O ATOM 1511 CB ALA A 94 2.441 21.540 -6.399 1.00 72.21 C ATOM 0 H ALA A 94 4.607 21.026 -5.239 1.00 5.20 H new ATOM 0 HA ALA A 94 1.937 21.479 -4.320 1.00 31.34 H new ATOM 0 HB1 ALA A 94 1.405 21.573 -6.737 1.00 72.21 H new ATOM 0 HB2 ALA A 94 2.833 22.555 -6.330 1.00 72.21 H new ATOM 0 HB3 ALA A 94 3.037 20.969 -7.111 1.00 72.21 H new ATOM 1517 N GLU A 95 2.700 18.435 -5.338 1.00 35.13 N ATOM 1518 CA GLU A 95 2.287 17.012 -5.278 1.00 40.43 C ATOM 1519 C GLU A 95 1.952 16.605 -3.816 1.00 43.21 C ATOM 1520 O GLU A 95 0.907 16.004 -3.546 1.00 72.21 O ATOM 1521 CB GLU A 95 3.408 16.089 -5.852 1.00 12.24 C ATOM 1522 CG GLU A 95 3.067 14.578 -5.895 1.00 5.41 C ATOM 1523 CD GLU A 95 1.980 14.202 -6.929 1.00 34.12 C ATOM 1524 OE1 GLU A 95 0.772 14.374 -6.646 1.00 60.43 O ATOM 1525 OE2 GLU A 95 2.328 13.722 -8.033 1.00 55.50 O ATOM 0 H GLU A 95 3.674 18.566 -5.611 1.00 35.13 H new ATOM 0 HA GLU A 95 1.392 16.890 -5.888 1.00 40.43 H new ATOM 0 HB2 GLU A 95 3.645 16.420 -6.863 1.00 12.24 H new ATOM 0 HB3 GLU A 95 4.309 16.224 -5.253 1.00 12.24 H new ATOM 0 HG2 GLU A 95 3.975 14.018 -6.120 1.00 5.41 H new ATOM 0 HG3 GLU A 95 2.735 14.264 -4.905 1.00 5.41 H new ATOM 1532 N VAL A 96 2.838 16.989 -2.876 1.00 72.23 N ATOM 1533 CA VAL A 96 2.668 16.704 -1.431 1.00 32.11 C ATOM 1534 C VAL A 96 1.422 17.444 -0.864 1.00 60.24 C ATOM 1535 O VAL A 96 0.637 16.867 -0.116 1.00 52.01 O ATOM 1536 CB VAL A 96 3.959 17.100 -0.616 1.00 63.45 C ATOM 1537 CG1 VAL A 96 3.776 16.862 0.908 1.00 71.45 C ATOM 1538 CG2 VAL A 96 5.206 16.342 -1.156 1.00 44.41 C ATOM 0 H VAL A 96 3.691 17.505 -3.093 1.00 72.23 H new ATOM 0 HA VAL A 96 2.513 15.631 -1.322 1.00 32.11 H new ATOM 0 HB VAL A 96 4.121 18.169 -0.757 1.00 63.45 H new ATOM 0 HG11 VAL A 96 4.688 17.147 1.433 1.00 71.45 H new ATOM 0 HG12 VAL A 96 2.944 17.464 1.273 1.00 71.45 H new ATOM 0 HG13 VAL A 96 3.568 15.807 1.089 1.00 71.45 H new ATOM 0 HG21 VAL A 96 6.085 16.630 -0.579 1.00 44.41 H new ATOM 0 HG22 VAL A 96 5.047 15.268 -1.063 1.00 44.41 H new ATOM 0 HG23 VAL A 96 5.361 16.596 -2.205 1.00 44.41 H new ATOM 1548 N ALA A 97 1.256 18.717 -1.268 1.00 24.42 N ATOM 1549 CA ALA A 97 0.106 19.579 -0.886 1.00 43.45 C ATOM 1550 C ALA A 97 -1.229 19.050 -1.472 1.00 64.51 C ATOM 1551 O ALA A 97 -2.284 19.151 -0.832 1.00 41.20 O ATOM 1552 CB ALA A 97 0.362 21.028 -1.349 1.00 21.43 C ATOM 0 H ALA A 97 1.923 19.189 -1.878 1.00 24.42 H new ATOM 0 HA ALA A 97 0.015 19.557 0.200 1.00 43.45 H new ATOM 0 HB1 ALA A 97 -0.484 21.655 -1.067 1.00 21.43 H new ATOM 0 HB2 ALA A 97 1.268 21.406 -0.876 1.00 21.43 H new ATOM 0 HB3 ALA A 97 0.483 21.048 -2.432 1.00 21.43 H new ATOM 1558 N ALA A 98 -1.156 18.480 -2.694 1.00 11.20 N ATOM 1559 CA ALA A 98 -2.316 17.858 -3.375 1.00 73.23 C ATOM 1560 C ALA A 98 -2.807 16.603 -2.620 1.00 75.42 C ATOM 1561 O ALA A 98 -4.007 16.421 -2.418 1.00 45.21 O ATOM 1562 CB ALA A 98 -1.961 17.501 -4.829 1.00 44.05 C ATOM 0 H ALA A 98 -0.294 18.437 -3.237 1.00 11.20 H new ATOM 0 HA ALA A 98 -3.127 18.586 -3.379 1.00 73.23 H new ATOM 0 HB1 ALA A 98 -2.825 17.045 -5.313 1.00 44.05 H new ATOM 0 HB2 ALA A 98 -1.679 18.406 -5.367 1.00 44.05 H new ATOM 0 HB3 ALA A 98 -1.128 16.799 -4.838 1.00 44.05 H new ATOM 1568 N HIS A 99 -1.856 15.742 -2.208 1.00 45.41 N ATOM 1569 CA HIS A 99 -2.154 14.518 -1.423 1.00 71.45 C ATOM 1570 C HIS A 99 -2.552 14.841 0.033 1.00 64.34 C ATOM 1571 O HIS A 99 -3.318 14.098 0.638 1.00 75.14 O ATOM 1572 CB HIS A 99 -0.957 13.540 -1.467 1.00 24.22 C ATOM 1573 CG HIS A 99 -0.831 12.847 -2.791 1.00 21.20 C ATOM 1574 ND1 HIS A 99 -1.632 11.786 -3.149 1.00 12.15 N ATOM 1575 CD2 HIS A 99 -0.051 13.095 -3.860 1.00 24.44 C ATOM 1576 CE1 HIS A 99 -1.351 11.418 -4.381 1.00 74.43 C ATOM 1577 NE2 HIS A 99 -0.396 12.199 -4.838 1.00 20.54 N ATOM 0 H HIS A 99 -0.864 15.870 -2.406 1.00 45.41 H new ATOM 0 HA HIS A 99 -3.015 14.036 -1.886 1.00 71.45 H new ATOM 0 HB2 HIS A 99 -0.037 14.086 -1.257 1.00 24.22 H new ATOM 0 HB3 HIS A 99 -1.071 12.795 -0.680 1.00 24.22 H new ATOM 0 HD2 HIS A 99 0.708 13.860 -3.933 1.00 24.44 H new ATOM 0 HE1 HIS A 99 -1.823 10.613 -4.924 1.00 74.43 H new ATOM 0 HE2 HIS A 99 0.020 12.146 -5.768 1.00 20.54 H new ATOM 1586 N ALA A 100 -2.015 15.943 0.579 1.00 31.21 N ATOM 1587 CA ALA A 100 -2.443 16.487 1.886 1.00 71.51 C ATOM 1588 C ALA A 100 -3.922 16.931 1.845 1.00 43.02 C ATOM 1589 O ALA A 100 -4.698 16.622 2.745 1.00 3.11 O ATOM 1590 CB ALA A 100 -1.531 17.651 2.310 1.00 45.43 C ATOM 0 H ALA A 100 -1.274 16.484 0.132 1.00 31.21 H new ATOM 0 HA ALA A 100 -2.355 15.695 2.629 1.00 71.51 H new ATOM 0 HB1 ALA A 100 -1.861 18.039 3.274 1.00 45.43 H new ATOM 0 HB2 ALA A 100 -0.504 17.296 2.394 1.00 45.43 H new ATOM 0 HB3 ALA A 100 -1.582 18.443 1.563 1.00 45.43 H new ATOM 1596 N ALA A 101 -4.299 17.620 0.757 1.00 63.25 N ATOM 1597 CA ALA A 101 -5.683 18.101 0.542 1.00 74.23 C ATOM 1598 C ALA A 101 -6.662 16.931 0.267 1.00 14.32 C ATOM 1599 O ALA A 101 -7.799 16.956 0.729 1.00 32.44 O ATOM 1600 CB ALA A 101 -5.710 19.123 -0.607 1.00 1.43 C ATOM 0 H ALA A 101 -3.659 17.862 0.000 1.00 63.25 H new ATOM 0 HA ALA A 101 -6.018 18.589 1.457 1.00 74.23 H new ATOM 0 HB1 ALA A 101 -6.731 19.472 -0.759 1.00 1.43 H new ATOM 0 HB2 ALA A 101 -5.071 19.969 -0.356 1.00 1.43 H new ATOM 0 HB3 ALA A 101 -5.347 18.653 -1.521 1.00 1.43 H new ATOM 1606 N THR A 102 -6.190 15.909 -0.477 1.00 74.22 N ATOM 1607 CA THR A 102 -6.956 14.651 -0.726 1.00 72.33 C ATOM 1608 C THR A 102 -7.246 13.922 0.607 1.00 34.02 C ATOM 1609 O THR A 102 -8.385 13.516 0.890 1.00 21.12 O ATOM 1610 CB THR A 102 -6.168 13.690 -1.695 1.00 74.13 C ATOM 1611 OG1 THR A 102 -5.905 14.366 -2.941 1.00 2.42 O ATOM 1612 CG2 THR A 102 -6.924 12.373 -1.990 1.00 42.35 C ATOM 0 H THR A 102 -5.273 15.923 -0.924 1.00 74.22 H new ATOM 0 HA THR A 102 -7.899 14.924 -1.199 1.00 72.33 H new ATOM 0 HB THR A 102 -5.239 13.428 -1.188 1.00 74.13 H new ATOM 0 HG1 THR A 102 -5.254 15.083 -2.793 1.00 2.42 H new ATOM 0 HG21 THR A 102 -6.329 11.755 -2.663 1.00 42.35 H new ATOM 0 HG22 THR A 102 -7.094 11.835 -1.058 1.00 42.35 H new ATOM 0 HG23 THR A 102 -7.882 12.600 -2.458 1.00 42.35 H new ATOM 1620 N TYR A 103 -6.185 13.802 1.417 1.00 72.32 N ATOM 1621 CA TYR A 103 -6.211 13.174 2.747 1.00 4.51 C ATOM 1622 C TYR A 103 -7.184 13.887 3.727 1.00 11.44 C ATOM 1623 O TYR A 103 -7.963 13.243 4.406 1.00 63.24 O ATOM 1624 CB TYR A 103 -4.769 13.185 3.322 1.00 11.14 C ATOM 1625 CG TYR A 103 -4.564 12.387 4.618 1.00 65.15 C ATOM 1626 CD1 TYR A 103 -4.857 12.940 5.874 1.00 2.02 C ATOM 1627 CD2 TYR A 103 -4.072 11.084 4.583 1.00 11.34 C ATOM 1628 CE1 TYR A 103 -4.667 12.213 7.035 1.00 72.03 C ATOM 1629 CE2 TYR A 103 -3.883 10.364 5.739 1.00 65.10 C ATOM 1630 CZ TYR A 103 -4.181 10.927 6.958 1.00 72.34 C ATOM 1631 OH TYR A 103 -3.992 10.191 8.109 1.00 60.34 O ATOM 0 H TYR A 103 -5.261 14.148 1.159 1.00 72.32 H new ATOM 0 HA TYR A 103 -6.577 12.153 2.636 1.00 4.51 H new ATOM 0 HB2 TYR A 103 -4.092 12.792 2.564 1.00 11.14 H new ATOM 0 HB3 TYR A 103 -4.478 14.219 3.504 1.00 11.14 H new ATOM 0 HD1 TYR A 103 -5.237 13.949 5.935 1.00 2.02 H new ATOM 0 HD2 TYR A 103 -3.835 10.632 3.631 1.00 11.34 H new ATOM 0 HE1 TYR A 103 -4.898 12.651 7.995 1.00 72.03 H new ATOM 0 HE2 TYR A 103 -3.500 9.355 5.690 1.00 65.10 H new ATOM 0 HH TYR A 103 -3.252 10.574 8.624 1.00 60.34 H new ATOM 1641 N HIS A 104 -7.090 15.219 3.836 1.00 10.22 N ATOM 1642 CA HIS A 104 -7.906 15.993 4.806 1.00 44.15 C ATOM 1643 C HIS A 104 -9.371 16.197 4.344 1.00 52.03 C ATOM 1644 O HIS A 104 -10.294 16.132 5.168 1.00 1.41 O ATOM 1645 CB HIS A 104 -7.213 17.339 5.139 1.00 74.45 C ATOM 1646 CG HIS A 104 -5.961 17.157 5.965 1.00 73.14 C ATOM 1647 ND1 HIS A 104 -5.998 16.653 7.248 1.00 20.43 N ATOM 1648 CD2 HIS A 104 -4.648 17.359 5.690 1.00 3.01 C ATOM 1649 CE1 HIS A 104 -4.778 16.549 7.718 1.00 15.32 C ATOM 1650 NE2 HIS A 104 -3.940 16.966 6.796 1.00 72.41 N ATOM 0 H HIS A 104 -6.462 15.790 3.270 1.00 10.22 H new ATOM 0 HA HIS A 104 -7.969 15.400 5.718 1.00 44.15 H new ATOM 0 HB2 HIS A 104 -6.961 17.853 4.212 1.00 74.45 H new ATOM 0 HB3 HIS A 104 -7.911 17.979 5.679 1.00 74.45 H new ATOM 0 HD2 HIS A 104 -4.238 17.755 4.773 1.00 3.01 H new ATOM 0 HE1 HIS A 104 -4.508 16.183 8.697 1.00 15.32 H new ATOM 0 HE2 HIS A 104 -2.925 16.993 6.888 1.00 72.41 H new ATOM 1659 N SER A 105 -9.589 16.412 3.034 1.00 55.22 N ATOM 1660 CA SER A 105 -10.938 16.757 2.505 1.00 42.31 C ATOM 1661 C SER A 105 -11.840 15.516 2.316 1.00 44.23 C ATOM 1662 O SER A 105 -13.047 15.591 2.557 1.00 52.23 O ATOM 1663 CB SER A 105 -10.823 17.518 1.163 1.00 2.21 C ATOM 1664 OG SER A 105 -12.099 17.869 0.639 1.00 34.25 O ATOM 0 H SER A 105 -8.861 16.356 2.321 1.00 55.22 H new ATOM 0 HA SER A 105 -11.406 17.397 3.253 1.00 42.31 H new ATOM 0 HB2 SER A 105 -10.229 18.421 1.308 1.00 2.21 H new ATOM 0 HB3 SER A 105 -10.291 16.900 0.440 1.00 2.21 H new ATOM 0 HG SER A 105 -11.984 18.349 -0.208 1.00 34.25 H new ATOM 1670 N HIS A 106 -11.260 14.374 1.886 1.00 63.21 N ATOM 1671 CA HIS A 106 -12.038 13.118 1.660 1.00 22.20 C ATOM 1672 C HIS A 106 -11.689 11.995 2.678 1.00 12.43 C ATOM 1673 O HIS A 106 -12.442 11.023 2.806 1.00 43.41 O ATOM 1674 CB HIS A 106 -11.808 12.607 0.218 1.00 64.53 C ATOM 1675 CG HIS A 106 -12.284 13.519 -0.880 1.00 2.13 C ATOM 1676 ND1 HIS A 106 -13.355 13.219 -1.692 1.00 52.23 N ATOM 1677 CD2 HIS A 106 -11.806 14.703 -1.328 1.00 70.25 C ATOM 1678 CE1 HIS A 106 -13.509 14.165 -2.588 1.00 62.21 C ATOM 1679 NE2 HIS A 106 -12.584 15.077 -2.392 1.00 74.01 N ATOM 0 H HIS A 106 -10.263 14.287 1.687 1.00 63.21 H new ATOM 0 HA HIS A 106 -13.089 13.367 1.809 1.00 22.20 H new ATOM 0 HB2 HIS A 106 -10.741 12.429 0.081 1.00 64.53 H new ATOM 0 HB3 HIS A 106 -12.308 11.645 0.109 1.00 64.53 H new ATOM 0 HD2 HIS A 106 -10.968 15.251 -0.923 1.00 70.25 H new ATOM 0 HE1 HIS A 106 -14.268 14.190 -3.356 1.00 62.21 H new ATOM 0 HE2 HIS A 106 -12.464 15.927 -2.943 1.00 74.01 H new ATOM 1688 N GLY A 107 -10.562 12.135 3.397 1.00 11.15 N ATOM 1689 CA GLY A 107 -10.156 11.153 4.434 1.00 14.41 C ATOM 1690 C GLY A 107 -8.905 10.333 4.078 1.00 42.52 C ATOM 1691 O GLY A 107 -8.422 10.370 2.939 1.00 74.21 O ATOM 0 H GLY A 107 -9.913 12.914 3.284 1.00 11.15 H new ATOM 0 HA2 GLY A 107 -9.974 11.684 5.368 1.00 14.41 H new ATOM 0 HA3 GLY A 107 -10.985 10.469 4.613 1.00 14.41 H new ATOM 1695 N TYR A 108 -8.392 9.598 5.086 1.00 23.11 N ATOM 1696 CA TYR A 108 -7.221 8.686 4.972 1.00 12.30 C ATOM 1697 C TYR A 108 -7.358 7.698 3.787 1.00 53.24 C ATOM 1698 O TYR A 108 -6.411 7.489 3.023 1.00 22.30 O ATOM 1699 CB TYR A 108 -7.081 7.919 6.317 1.00 65.44 C ATOM 1700 CG TYR A 108 -6.009 6.805 6.383 1.00 72.35 C ATOM 1701 CD1 TYR A 108 -4.667 7.104 6.631 1.00 63.52 C ATOM 1702 CD2 TYR A 108 -6.346 5.450 6.245 1.00 72.53 C ATOM 1703 CE1 TYR A 108 -3.712 6.108 6.727 1.00 70.31 C ATOM 1704 CE2 TYR A 108 -5.391 4.457 6.352 1.00 14.52 C ATOM 1705 CZ TYR A 108 -4.079 4.790 6.592 1.00 64.35 C ATOM 1706 OH TYR A 108 -3.130 3.800 6.718 1.00 4.34 O ATOM 0 H TYR A 108 -8.786 9.618 6.027 1.00 23.11 H new ATOM 0 HA TYR A 108 -6.327 9.276 4.771 1.00 12.30 H new ATOM 0 HB2 TYR A 108 -6.863 8.645 7.100 1.00 65.44 H new ATOM 0 HB3 TYR A 108 -8.047 7.474 6.555 1.00 65.44 H new ATOM 0 HD1 TYR A 108 -4.369 8.135 6.750 1.00 63.52 H new ATOM 0 HD2 TYR A 108 -7.373 5.177 6.051 1.00 72.53 H new ATOM 0 HE1 TYR A 108 -2.679 6.366 6.908 1.00 70.31 H new ATOM 0 HE2 TYR A 108 -5.675 3.420 6.247 1.00 14.52 H new ATOM 0 HH TYR A 108 -3.096 3.273 5.893 1.00 4.34 H new ATOM 1716 N ASP A 109 -8.561 7.116 3.662 1.00 1.34 N ATOM 1717 CA ASP A 109 -8.902 6.136 2.610 1.00 32.42 C ATOM 1718 C ASP A 109 -8.698 6.706 1.191 1.00 31.24 C ATOM 1719 O ASP A 109 -8.162 6.030 0.325 1.00 63.33 O ATOM 1720 CB ASP A 109 -10.366 5.665 2.786 1.00 50.20 C ATOM 1721 CG ASP A 109 -10.612 5.033 4.161 1.00 55.33 C ATOM 1722 OD1 ASP A 109 -10.800 5.787 5.140 1.00 72.12 O ATOM 1723 OD2 ASP A 109 -10.585 3.790 4.278 1.00 62.11 O ATOM 0 H ASP A 109 -9.336 7.313 4.295 1.00 1.34 H new ATOM 0 HA ASP A 109 -8.225 5.289 2.719 1.00 32.42 H new ATOM 0 HB2 ASP A 109 -11.037 6.514 2.653 1.00 50.20 H new ATOM 0 HB3 ASP A 109 -10.609 4.942 2.007 1.00 50.20 H new ATOM 1728 N ALA A 110 -9.113 7.968 0.985 1.00 1.13 N ATOM 1729 CA ALA A 110 -9.018 8.647 -0.325 1.00 2.42 C ATOM 1730 C ALA A 110 -7.563 8.769 -0.818 1.00 14.34 C ATOM 1731 O ALA A 110 -7.280 8.526 -1.996 1.00 44.41 O ATOM 1732 CB ALA A 110 -9.652 10.029 -0.248 1.00 62.20 C ATOM 0 H ALA A 110 -9.523 8.547 1.718 1.00 1.13 H new ATOM 0 HA ALA A 110 -9.558 8.032 -1.044 1.00 2.42 H new ATOM 0 HB1 ALA A 110 -9.576 10.519 -1.219 1.00 62.20 H new ATOM 0 HB2 ALA A 110 -10.702 9.933 0.028 1.00 62.20 H new ATOM 0 HB3 ALA A 110 -9.133 10.626 0.502 1.00 62.20 H new ATOM 1738 N ASP A 111 -6.652 9.155 0.102 1.00 21.44 N ATOM 1739 CA ASP A 111 -5.215 9.277 -0.208 1.00 42.15 C ATOM 1740 C ASP A 111 -4.624 7.893 -0.570 1.00 30.21 C ATOM 1741 O ASP A 111 -4.127 7.706 -1.674 1.00 64.13 O ATOM 1742 CB ASP A 111 -4.444 9.924 0.978 1.00 15.42 C ATOM 1743 CG ASP A 111 -2.959 10.193 0.651 1.00 23.14 C ATOM 1744 OD1 ASP A 111 -2.692 11.040 -0.230 1.00 20.14 O ATOM 1745 OD2 ASP A 111 -2.060 9.542 1.242 1.00 22.25 O ATOM 0 H ASP A 111 -6.889 9.387 1.066 1.00 21.44 H new ATOM 0 HA ASP A 111 -5.102 9.933 -1.071 1.00 42.15 H new ATOM 0 HB2 ASP A 111 -4.927 10.862 1.251 1.00 15.42 H new ATOM 0 HB3 ASP A 111 -4.507 9.269 1.847 1.00 15.42 H new ATOM 1750 N ILE A 112 -4.798 6.914 0.335 1.00 51.22 N ATOM 1751 CA ILE A 112 -4.245 5.540 0.183 1.00 65.33 C ATOM 1752 C ILE A 112 -4.729 4.849 -1.131 1.00 13.00 C ATOM 1753 O ILE A 112 -3.920 4.333 -1.919 1.00 40.12 O ATOM 1754 CB ILE A 112 -4.665 4.652 1.414 1.00 54.34 C ATOM 1755 CG1 ILE A 112 -4.094 5.224 2.760 1.00 20.42 C ATOM 1756 CG2 ILE A 112 -4.270 3.169 1.210 1.00 74.21 C ATOM 1757 CD1 ILE A 112 -2.579 5.224 2.883 1.00 41.21 C ATOM 0 H ILE A 112 -5.326 7.045 1.198 1.00 51.22 H new ATOM 0 HA ILE A 112 -3.160 5.636 0.135 1.00 65.33 H new ATOM 0 HB ILE A 112 -5.752 4.688 1.483 1.00 54.34 H new ATOM 0 HG12 ILE A 112 -4.450 6.247 2.879 1.00 20.42 H new ATOM 0 HG13 ILE A 112 -4.508 4.644 3.585 1.00 20.42 H new ATOM 0 HG21 ILE A 112 -4.576 2.588 2.080 1.00 74.21 H new ATOM 0 HG22 ILE A 112 -4.766 2.779 0.321 1.00 74.21 H new ATOM 0 HG23 ILE A 112 -3.190 3.094 1.085 1.00 74.21 H new ATOM 0 HD11 ILE A 112 -2.292 5.639 3.849 1.00 41.21 H new ATOM 0 HD12 ILE A 112 -2.207 4.202 2.802 1.00 41.21 H new ATOM 0 HD13 ILE A 112 -2.149 5.830 2.086 1.00 41.21 H new ATOM 1769 N ASN A 113 -6.055 4.878 -1.354 1.00 21.55 N ATOM 1770 CA ASN A 113 -6.701 4.278 -2.547 1.00 61.44 C ATOM 1771 C ASN A 113 -6.254 4.974 -3.853 1.00 41.24 C ATOM 1772 O ASN A 113 -6.180 4.323 -4.886 1.00 22.42 O ATOM 1773 CB ASN A 113 -8.254 4.295 -2.413 1.00 63.13 C ATOM 1774 CG ASN A 113 -8.798 3.128 -1.576 1.00 53.41 C ATOM 1775 OD1 ASN A 113 -9.177 2.095 -2.114 1.00 54.21 O ATOM 1776 ND2 ASN A 113 -8.824 3.262 -0.263 1.00 5.32 N ATOM 0 H ASN A 113 -6.715 5.318 -0.713 1.00 21.55 H new ATOM 0 HA ASN A 113 -6.375 3.239 -2.601 1.00 61.44 H new ATOM 0 HB2 ASN A 113 -8.563 5.236 -1.958 1.00 63.13 H new ATOM 0 HB3 ASN A 113 -8.699 4.260 -3.407 1.00 63.13 H new ATOM 0 HD21 ASN A 113 -9.164 2.498 0.321 1.00 5.32 H new ATOM 0 HD22 ASN A 113 -8.504 4.130 0.168 1.00 5.32 H new ATOM 1783 N SER A 114 -5.944 6.290 -3.788 1.00 13.41 N ATOM 1784 CA SER A 114 -5.451 7.071 -4.961 1.00 2.12 C ATOM 1785 C SER A 114 -4.086 6.548 -5.483 1.00 11.41 C ATOM 1786 O SER A 114 -3.816 6.573 -6.689 1.00 30.54 O ATOM 1787 CB SER A 114 -5.325 8.575 -4.616 1.00 54.31 C ATOM 1788 OG SER A 114 -4.874 9.334 -5.731 1.00 11.00 O ATOM 0 H SER A 114 -6.025 6.841 -2.933 1.00 13.41 H new ATOM 0 HA SER A 114 -6.191 6.940 -5.750 1.00 2.12 H new ATOM 0 HB2 SER A 114 -6.291 8.955 -4.284 1.00 54.31 H new ATOM 0 HB3 SER A 114 -4.631 8.701 -3.785 1.00 54.31 H new ATOM 0 HG SER A 114 -4.807 10.279 -5.478 1.00 11.00 H new ATOM 1794 N TYR A 115 -3.237 6.065 -4.557 1.00 34.52 N ATOM 1795 CA TYR A 115 -1.900 5.499 -4.888 1.00 23.53 C ATOM 1796 C TYR A 115 -2.045 4.151 -5.631 1.00 34.33 C ATOM 1797 O TYR A 115 -1.300 3.862 -6.571 1.00 50.42 O ATOM 1798 CB TYR A 115 -1.065 5.301 -3.589 1.00 62.14 C ATOM 1799 CG TYR A 115 -0.620 6.591 -2.870 1.00 61.30 C ATOM 1800 CD1 TYR A 115 -1.454 7.697 -2.783 1.00 43.24 C ATOM 1801 CD2 TYR A 115 0.630 6.687 -2.252 1.00 33.34 C ATOM 1802 CE1 TYR A 115 -1.082 8.830 -2.112 1.00 42.04 C ATOM 1803 CE2 TYR A 115 1.006 7.835 -1.585 1.00 22.50 C ATOM 1804 CZ TYR A 115 0.145 8.901 -1.518 1.00 14.22 C ATOM 1805 OH TYR A 115 0.503 10.042 -0.833 1.00 15.23 O ATOM 0 H TYR A 115 -3.450 6.052 -3.560 1.00 34.52 H new ATOM 0 HA TYR A 115 -1.383 6.202 -5.542 1.00 23.53 H new ATOM 0 HB2 TYR A 115 -1.651 4.703 -2.891 1.00 62.14 H new ATOM 0 HB3 TYR A 115 -0.176 4.721 -3.837 1.00 62.14 H new ATOM 0 HD1 TYR A 115 -2.423 7.662 -3.258 1.00 43.24 H new ATOM 0 HD2 TYR A 115 1.312 5.850 -2.297 1.00 33.34 H new ATOM 0 HE1 TYR A 115 -1.760 9.669 -2.052 1.00 42.04 H new ATOM 0 HE2 TYR A 115 1.977 7.894 -1.116 1.00 22.50 H new ATOM 0 HH TYR A 115 1.286 9.856 -0.274 1.00 15.23 H new ATOM 1815 N ILE A 116 -3.034 3.359 -5.193 1.00 75.31 N ATOM 1816 CA ILE A 116 -3.393 2.059 -5.807 1.00 24.20 C ATOM 1817 C ILE A 116 -4.213 2.270 -7.121 1.00 70.23 C ATOM 1818 O ILE A 116 -4.202 1.431 -8.033 1.00 53.43 O ATOM 1819 CB ILE A 116 -4.199 1.182 -4.769 1.00 21.53 C ATOM 1820 CG1 ILE A 116 -3.423 1.082 -3.403 1.00 5.44 C ATOM 1821 CG2 ILE A 116 -4.528 -0.228 -5.326 1.00 42.21 C ATOM 1822 CD1 ILE A 116 -2.065 0.387 -3.473 1.00 71.02 C ATOM 0 H ILE A 116 -3.618 3.600 -4.393 1.00 75.31 H new ATOM 0 HA ILE A 116 -2.478 1.531 -6.074 1.00 24.20 H new ATOM 0 HB ILE A 116 -5.150 1.684 -4.591 1.00 21.53 H new ATOM 0 HG12 ILE A 116 -3.278 2.089 -3.012 1.00 5.44 H new ATOM 0 HG13 ILE A 116 -4.049 0.549 -2.687 1.00 5.44 H new ATOM 0 HG21 ILE A 116 -5.082 -0.795 -4.578 1.00 42.21 H new ATOM 0 HG22 ILE A 116 -5.132 -0.131 -6.228 1.00 42.21 H new ATOM 0 HG23 ILE A 116 -3.601 -0.751 -5.564 1.00 42.21 H new ATOM 0 HD11 ILE A 116 -1.613 0.370 -2.481 1.00 71.02 H new ATOM 0 HD12 ILE A 116 -2.197 -0.635 -3.829 1.00 71.02 H new ATOM 0 HD13 ILE A 116 -1.414 0.929 -4.159 1.00 71.02 H new ATOM 1834 N ASP A 117 -4.889 3.430 -7.203 1.00 34.32 N ATOM 1835 CA ASP A 117 -5.722 3.837 -8.358 1.00 4.41 C ATOM 1836 C ASP A 117 -4.857 4.429 -9.506 1.00 5.34 C ATOM 1837 O ASP A 117 -5.337 4.578 -10.642 1.00 11.02 O ATOM 1838 CB ASP A 117 -6.779 4.862 -7.865 1.00 31.02 C ATOM 1839 CG ASP A 117 -7.775 5.315 -8.942 1.00 30.25 C ATOM 1840 OD1 ASP A 117 -8.746 4.574 -9.220 1.00 3.40 O ATOM 1841 OD2 ASP A 117 -7.593 6.408 -9.522 1.00 64.34 O ATOM 0 H ASP A 117 -4.874 4.126 -6.457 1.00 34.32 H new ATOM 0 HA ASP A 117 -6.223 2.960 -8.769 1.00 4.41 H new ATOM 0 HB2 ASP A 117 -7.334 4.423 -7.036 1.00 31.02 H new ATOM 0 HB3 ASP A 117 -6.262 5.738 -7.474 1.00 31.02 H new ATOM 1846 N SER A 118 -3.572 4.740 -9.218 1.00 44.23 N ATOM 1847 CA SER A 118 -2.629 5.281 -10.222 1.00 32.12 C ATOM 1848 C SER A 118 -2.424 4.271 -11.376 1.00 23.32 C ATOM 1849 O SER A 118 -1.959 3.149 -11.150 1.00 60.21 O ATOM 1850 CB SER A 118 -1.278 5.629 -9.554 1.00 63.23 C ATOM 1851 OG SER A 118 -1.433 6.611 -8.538 1.00 45.21 O ATOM 0 H SER A 118 -3.163 4.624 -8.291 1.00 44.23 H new ATOM 0 HA SER A 118 -3.053 6.193 -10.641 1.00 32.12 H new ATOM 0 HB2 SER A 118 -0.841 4.727 -9.125 1.00 63.23 H new ATOM 0 HB3 SER A 118 -0.581 5.993 -10.309 1.00 63.23 H new ATOM 0 HG SER A 118 -2.269 6.450 -8.052 1.00 45.21 H new ATOM 1857 N ALA A 119 -2.824 4.678 -12.598 1.00 30.44 N ATOM 1858 CA ALA A 119 -2.785 3.815 -13.803 1.00 54.34 C ATOM 1859 C ALA A 119 -1.367 3.282 -14.115 1.00 45.23 C ATOM 1860 O ALA A 119 -1.194 2.085 -14.317 1.00 45.13 O ATOM 1861 CB ALA A 119 -3.352 4.575 -15.008 1.00 14.43 C ATOM 0 H ALA A 119 -3.184 5.615 -12.780 1.00 30.44 H new ATOM 0 HA ALA A 119 -3.405 2.943 -13.595 1.00 54.34 H new ATOM 0 HB1 ALA A 119 -3.320 3.935 -15.890 1.00 14.43 H new ATOM 0 HB2 ALA A 119 -4.384 4.862 -14.805 1.00 14.43 H new ATOM 0 HB3 ALA A 119 -2.756 5.470 -15.187 1.00 14.43 H new ATOM 1867 N GLU A 120 -0.359 4.181 -14.105 1.00 22.13 N ATOM 1868 CA GLU A 120 1.056 3.813 -14.396 1.00 0.11 C ATOM 1869 C GLU A 120 1.633 2.813 -13.357 1.00 4.51 C ATOM 1870 O GLU A 120 2.519 2.020 -13.674 1.00 62.40 O ATOM 1871 CB GLU A 120 1.953 5.090 -14.547 1.00 64.52 C ATOM 1872 CG GLU A 120 1.837 6.174 -13.436 1.00 50.32 C ATOM 1873 CD GLU A 120 2.433 5.771 -12.073 1.00 60.11 C ATOM 1874 OE1 GLU A 120 3.658 5.523 -11.996 1.00 32.04 O ATOM 1875 OE2 GLU A 120 1.684 5.707 -11.080 1.00 54.43 O ATOM 0 H GLU A 120 -0.493 5.171 -13.899 1.00 22.13 H new ATOM 0 HA GLU A 120 1.063 3.292 -15.354 1.00 0.11 H new ATOM 0 HB2 GLU A 120 2.993 4.768 -14.598 1.00 64.52 H new ATOM 0 HB3 GLU A 120 1.717 5.558 -15.502 1.00 64.52 H new ATOM 0 HG2 GLU A 120 2.334 7.081 -13.780 1.00 50.32 H new ATOM 0 HG3 GLU A 120 0.784 6.421 -13.297 1.00 50.32 H new ATOM 1882 N TYR A 121 1.093 2.854 -12.128 1.00 73.31 N ATOM 1883 CA TYR A 121 1.434 1.903 -11.051 1.00 4.12 C ATOM 1884 C TYR A 121 0.876 0.486 -11.357 1.00 72.12 C ATOM 1885 O TYR A 121 1.612 -0.491 -11.318 1.00 32.51 O ATOM 1886 CB TYR A 121 0.903 2.438 -9.690 1.00 1.03 C ATOM 1887 CG TYR A 121 0.873 1.410 -8.542 1.00 43.42 C ATOM 1888 CD1 TYR A 121 2.029 0.739 -8.140 1.00 33.02 C ATOM 1889 CD2 TYR A 121 -0.317 1.104 -7.872 1.00 70.33 C ATOM 1890 CE1 TYR A 121 1.997 -0.193 -7.123 1.00 21.34 C ATOM 1891 CE2 TYR A 121 -0.344 0.179 -6.853 1.00 74.23 C ATOM 1892 CZ TYR A 121 0.811 -0.465 -6.483 1.00 24.04 C ATOM 1893 OH TYR A 121 0.779 -1.386 -5.459 1.00 53.12 O ATOM 0 H TYR A 121 0.403 3.551 -11.849 1.00 73.31 H new ATOM 0 HA TYR A 121 2.519 1.815 -10.991 1.00 4.12 H new ATOM 0 HB2 TYR A 121 1.522 3.281 -9.384 1.00 1.03 H new ATOM 0 HB3 TYR A 121 -0.107 2.821 -9.838 1.00 1.03 H new ATOM 0 HD1 TYR A 121 2.965 0.953 -8.634 1.00 33.02 H new ATOM 0 HD2 TYR A 121 -1.231 1.603 -8.160 1.00 70.33 H new ATOM 0 HE1 TYR A 121 2.901 -0.707 -6.831 1.00 21.34 H new ATOM 0 HE2 TYR A 121 -1.272 -0.040 -6.345 1.00 74.23 H new ATOM 0 HH TYR A 121 -0.135 -1.460 -5.114 1.00 53.12 H new ATOM 1903 N THR A 122 -0.429 0.385 -11.651 1.00 14.40 N ATOM 1904 CA THR A 122 -1.095 -0.923 -11.911 1.00 41.22 C ATOM 1905 C THR A 122 -0.636 -1.562 -13.254 1.00 71.43 C ATOM 1906 O THR A 122 -0.607 -2.784 -13.390 1.00 62.01 O ATOM 1907 CB THR A 122 -2.654 -0.773 -11.867 1.00 74.35 C ATOM 1908 OG1 THR A 122 -3.041 -0.224 -10.596 1.00 1.14 O ATOM 1909 CG2 THR A 122 -3.399 -2.110 -12.075 1.00 43.44 C ATOM 0 H THR A 122 -1.054 1.188 -11.717 1.00 14.40 H new ATOM 0 HA THR A 122 -0.789 -1.602 -11.115 1.00 41.22 H new ATOM 0 HB THR A 122 -2.931 -0.113 -12.689 1.00 74.35 H new ATOM 0 HG1 THR A 122 -4.016 -0.127 -10.565 1.00 1.14 H new ATOM 0 HG21 THR A 122 -4.474 -1.938 -12.033 1.00 43.44 H new ATOM 0 HG22 THR A 122 -3.136 -2.526 -13.047 1.00 43.44 H new ATOM 0 HG23 THR A 122 -3.113 -2.811 -11.291 1.00 43.44 H new ATOM 1917 N GLU A 123 -0.298 -0.731 -14.246 1.00 51.14 N ATOM 1918 CA GLU A 123 0.290 -1.199 -15.528 1.00 41.03 C ATOM 1919 C GLU A 123 1.745 -1.729 -15.354 1.00 50.50 C ATOM 1920 O GLU A 123 2.081 -2.810 -15.847 1.00 3.10 O ATOM 1921 CB GLU A 123 0.240 -0.062 -16.581 1.00 22.53 C ATOM 1922 CG GLU A 123 -1.186 0.369 -16.983 1.00 32.11 C ATOM 1923 CD GLU A 123 -1.209 1.547 -17.974 1.00 63.02 C ATOM 1924 OE1 GLU A 123 -1.133 1.314 -19.200 1.00 35.42 O ATOM 1925 OE2 GLU A 123 -1.299 2.711 -17.528 1.00 55.55 O ATOM 0 H GLU A 123 -0.419 0.280 -14.194 1.00 51.14 H new ATOM 0 HA GLU A 123 -0.310 -2.039 -15.878 1.00 41.03 H new ATOM 0 HB2 GLU A 123 0.772 0.805 -16.188 1.00 22.53 H new ATOM 0 HB3 GLU A 123 0.774 -0.386 -17.474 1.00 22.53 H new ATOM 0 HG2 GLU A 123 -1.703 -0.481 -17.428 1.00 32.11 H new ATOM 0 HG3 GLU A 123 -1.741 0.646 -16.087 1.00 32.11 H new ATOM 1932 N SER A 124 2.590 -0.966 -14.630 1.00 62.34 N ATOM 1933 CA SER A 124 4.044 -1.284 -14.486 1.00 2.15 C ATOM 1934 C SER A 124 4.320 -2.370 -13.410 1.00 31.43 C ATOM 1935 O SER A 124 5.263 -3.155 -13.537 1.00 71.23 O ATOM 1936 CB SER A 124 4.845 -0.009 -14.140 1.00 55.52 C ATOM 1937 OG SER A 124 6.242 -0.246 -14.126 1.00 22.43 O ATOM 0 H SER A 124 2.300 -0.124 -14.133 1.00 62.34 H new ATOM 0 HA SER A 124 4.368 -1.681 -15.448 1.00 2.15 H new ATOM 0 HB2 SER A 124 4.617 0.771 -14.867 1.00 55.52 H new ATOM 0 HB3 SER A 124 4.531 0.363 -13.165 1.00 55.52 H new ATOM 0 HG SER A 124 6.713 0.585 -13.905 1.00 22.43 H new ATOM 1943 N PHE A 125 3.501 -2.388 -12.347 1.00 73.21 N ATOM 1944 CA PHE A 125 3.622 -3.353 -11.214 1.00 42.21 C ATOM 1945 C PHE A 125 2.553 -4.475 -11.301 1.00 0.24 C ATOM 1946 O PHE A 125 2.424 -5.278 -10.371 1.00 53.03 O ATOM 1947 CB PHE A 125 3.479 -2.610 -9.850 1.00 74.11 C ATOM 1948 CG PHE A 125 4.579 -1.592 -9.542 1.00 52.01 C ATOM 1949 CD1 PHE A 125 4.657 -0.377 -10.233 1.00 43.22 C ATOM 1950 CD2 PHE A 125 5.533 -1.845 -8.557 1.00 64.53 C ATOM 1951 CE1 PHE A 125 5.649 0.538 -9.949 1.00 1.42 C ATOM 1952 CE2 PHE A 125 6.523 -0.927 -8.278 1.00 34.43 C ATOM 1953 CZ PHE A 125 6.578 0.259 -8.975 1.00 23.35 C ATOM 0 H PHE A 125 2.727 -1.733 -12.237 1.00 73.21 H new ATOM 0 HA PHE A 125 4.609 -3.811 -11.282 1.00 42.21 H new ATOM 0 HB2 PHE A 125 2.517 -2.097 -9.833 1.00 74.11 H new ATOM 0 HB3 PHE A 125 3.459 -3.352 -9.051 1.00 74.11 H new ATOM 0 HD1 PHE A 125 3.930 -0.153 -10.999 1.00 43.22 H new ATOM 0 HD2 PHE A 125 5.496 -2.773 -8.005 1.00 64.53 H new ATOM 0 HE1 PHE A 125 5.696 1.471 -10.490 1.00 1.42 H new ATOM 0 HE2 PHE A 125 7.255 -1.138 -7.513 1.00 34.43 H new ATOM 0 HZ PHE A 125 7.356 0.975 -8.755 1.00 23.35 H new ATOM 1963 N GLY A 126 1.764 -4.492 -12.400 1.00 74.50 N ATOM 1964 CA GLY A 126 0.687 -5.485 -12.593 1.00 51.24 C ATOM 1965 C GLY A 126 -0.379 -5.475 -11.485 1.00 23.15 C ATOM 1966 O GLY A 126 -0.496 -4.502 -10.744 1.00 4.53 O ATOM 0 H GLY A 126 1.855 -3.826 -13.167 1.00 74.50 H new ATOM 0 HA2 GLY A 126 0.202 -5.298 -13.551 1.00 51.24 H new ATOM 0 HA3 GLY A 126 1.130 -6.480 -12.648 1.00 51.24 H new ATOM 1970 N ASP A 127 -1.216 -6.516 -11.443 1.00 61.24 N ATOM 1971 CA ASP A 127 -2.083 -6.829 -10.283 1.00 74.12 C ATOM 1972 C ASP A 127 -1.365 -7.776 -9.269 1.00 25.51 C ATOM 1973 O ASP A 127 -1.524 -7.642 -8.048 1.00 62.34 O ATOM 1974 CB ASP A 127 -3.397 -7.458 -10.813 1.00 60.50 C ATOM 1975 CG ASP A 127 -4.315 -8.029 -9.719 1.00 52.12 C ATOM 1976 OD1 ASP A 127 -4.813 -7.247 -8.882 1.00 42.11 O ATOM 1977 OD2 ASP A 127 -4.559 -9.258 -9.702 1.00 32.15 O ATOM 0 H ASP A 127 -1.318 -7.175 -12.215 1.00 61.24 H new ATOM 0 HA ASP A 127 -2.309 -5.912 -9.738 1.00 74.12 H new ATOM 0 HB2 ASP A 127 -3.947 -6.702 -11.374 1.00 60.50 H new ATOM 0 HB3 ASP A 127 -3.147 -8.255 -11.513 1.00 60.50 H new ATOM 1982 N ASN A 128 -0.548 -8.701 -9.809 1.00 60.44 N ATOM 1983 CA ASN A 128 0.012 -9.858 -9.060 1.00 34.53 C ATOM 1984 C ASN A 128 1.338 -9.560 -8.315 1.00 4.34 C ATOM 1985 O ASN A 128 1.737 -10.329 -7.430 1.00 12.04 O ATOM 1986 CB ASN A 128 0.208 -11.048 -10.031 1.00 63.14 C ATOM 1987 CG ASN A 128 -1.109 -11.570 -10.594 1.00 33.23 C ATOM 1988 OD1 ASN A 128 -1.584 -11.115 -11.629 1.00 34.51 O ATOM 1989 ND2 ASN A 128 -1.718 -12.520 -9.909 1.00 51.03 N ATOM 0 H ASN A 128 -0.252 -8.672 -10.785 1.00 60.44 H new ATOM 0 HA ASN A 128 -0.713 -10.099 -8.282 1.00 34.53 H new ATOM 0 HB2 ASN A 128 0.853 -10.738 -10.853 1.00 63.14 H new ATOM 0 HB3 ASN A 128 0.722 -11.856 -9.510 1.00 63.14 H new ATOM 0 HD21 ASN A 128 -2.608 -12.895 -10.237 1.00 51.03 H new ATOM 0 HD22 ASN A 128 -1.299 -12.879 -9.051 1.00 51.03 H new ATOM 1996 N VAL A 129 2.002 -8.447 -8.648 1.00 35.10 N ATOM 1997 CA VAL A 129 3.341 -8.119 -8.095 1.00 44.31 C ATOM 1998 C VAL A 129 3.209 -7.129 -6.911 1.00 32.24 C ATOM 1999 O VAL A 129 2.386 -6.204 -6.944 1.00 34.33 O ATOM 2000 CB VAL A 129 4.301 -7.525 -9.201 1.00 4.32 C ATOM 2001 CG1 VAL A 129 5.726 -7.238 -8.657 1.00 64.22 C ATOM 2002 CG2 VAL A 129 4.350 -8.447 -10.447 1.00 15.10 C ATOM 0 H VAL A 129 1.641 -7.750 -9.299 1.00 35.10 H new ATOM 0 HA VAL A 129 3.784 -9.047 -7.735 1.00 44.31 H new ATOM 0 HB VAL A 129 3.883 -6.565 -9.503 1.00 4.32 H new ATOM 0 HG11 VAL A 129 6.346 -6.831 -9.456 1.00 64.22 H new ATOM 0 HG12 VAL A 129 5.666 -6.517 -7.842 1.00 64.22 H new ATOM 0 HG13 VAL A 129 6.169 -8.164 -8.290 1.00 64.22 H new ATOM 0 HG21 VAL A 129 5.017 -8.015 -11.193 1.00 15.10 H new ATOM 0 HG22 VAL A 129 4.718 -9.431 -10.157 1.00 15.10 H new ATOM 0 HG23 VAL A 129 3.349 -8.543 -10.868 1.00 15.10 H new ATOM 2012 N VAL A 130 4.026 -7.354 -5.865 1.00 62.44 N ATOM 2013 CA VAL A 130 4.071 -6.498 -4.661 1.00 10.25 C ATOM 2014 C VAL A 130 4.834 -5.177 -4.978 1.00 32.54 C ATOM 2015 O VAL A 130 5.900 -5.227 -5.609 1.00 42.11 O ATOM 2016 CB VAL A 130 4.779 -7.268 -3.468 1.00 61.12 C ATOM 2017 CG1 VAL A 130 4.985 -6.374 -2.212 1.00 51.43 C ATOM 2018 CG2 VAL A 130 3.991 -8.555 -3.109 1.00 62.04 C ATOM 0 H VAL A 130 4.677 -8.138 -5.830 1.00 62.44 H new ATOM 0 HA VAL A 130 3.052 -6.254 -4.361 1.00 10.25 H new ATOM 0 HB VAL A 130 5.774 -7.547 -3.815 1.00 61.12 H new ATOM 0 HG11 VAL A 130 5.473 -6.954 -1.429 1.00 51.43 H new ATOM 0 HG12 VAL A 130 5.608 -5.519 -2.472 1.00 51.43 H new ATOM 0 HG13 VAL A 130 4.018 -6.022 -1.853 1.00 51.43 H new ATOM 0 HG21 VAL A 130 4.491 -9.071 -2.289 1.00 62.04 H new ATOM 0 HG22 VAL A 130 2.978 -8.289 -2.807 1.00 62.04 H new ATOM 0 HG23 VAL A 130 3.950 -9.211 -3.979 1.00 62.04 H new ATOM 2028 N PRO A 131 4.283 -3.974 -4.572 1.00 65.21 N ATOM 2029 CA PRO A 131 4.969 -2.664 -4.755 1.00 45.31 C ATOM 2030 C PRO A 131 6.361 -2.660 -4.094 1.00 54.44 C ATOM 2031 O PRO A 131 6.494 -2.936 -2.899 1.00 30.33 O ATOM 2032 CB PRO A 131 4.016 -1.649 -4.067 1.00 54.00 C ATOM 2033 CG PRO A 131 3.168 -2.482 -3.159 1.00 52.42 C ATOM 2034 CD PRO A 131 2.970 -3.785 -3.898 1.00 1.30 C ATOM 0 HA PRO A 131 5.149 -2.429 -5.804 1.00 45.31 H new ATOM 0 HB2 PRO A 131 4.574 -0.897 -3.509 1.00 54.00 H new ATOM 0 HB3 PRO A 131 3.408 -1.117 -4.799 1.00 54.00 H new ATOM 0 HG2 PRO A 131 3.658 -2.643 -2.199 1.00 52.42 H new ATOM 0 HG3 PRO A 131 2.214 -1.996 -2.953 1.00 52.42 H new ATOM 0 HD2 PRO A 131 2.740 -4.606 -3.219 1.00 1.30 H new ATOM 0 HD3 PRO A 131 2.151 -3.725 -4.614 1.00 1.30 H new ATOM 2042 N TYR A 132 7.389 -2.361 -4.891 1.00 61.22 N ATOM 2043 CA TYR A 132 8.790 -2.420 -4.450 1.00 35.44 C ATOM 2044 C TYR A 132 9.517 -1.094 -4.719 1.00 54.12 C ATOM 2045 O TYR A 132 9.206 -0.364 -5.676 1.00 33.50 O ATOM 2046 CB TYR A 132 9.532 -3.599 -5.155 1.00 25.24 C ATOM 2047 CG TYR A 132 9.529 -3.544 -6.699 1.00 0.03 C ATOM 2048 CD1 TYR A 132 8.434 -4.011 -7.438 1.00 44.40 C ATOM 2049 CD2 TYR A 132 10.614 -3.025 -7.417 1.00 14.32 C ATOM 2050 CE1 TYR A 132 8.428 -3.967 -8.817 1.00 21.25 C ATOM 2051 CE2 TYR A 132 10.605 -2.982 -8.798 1.00 34.42 C ATOM 2052 CZ TYR A 132 9.511 -3.451 -9.490 1.00 72.02 C ATOM 2053 OH TYR A 132 9.506 -3.416 -10.867 1.00 42.41 O ATOM 0 H TYR A 132 7.277 -2.070 -5.862 1.00 61.22 H new ATOM 0 HA TYR A 132 8.795 -2.592 -3.374 1.00 35.44 H new ATOM 0 HB2 TYR A 132 10.566 -3.616 -4.809 1.00 25.24 H new ATOM 0 HB3 TYR A 132 9.075 -4.537 -4.839 1.00 25.24 H new ATOM 0 HD1 TYR A 132 7.577 -4.414 -6.918 1.00 44.40 H new ATOM 0 HD2 TYR A 132 11.474 -2.651 -6.881 1.00 14.32 H new ATOM 0 HE1 TYR A 132 7.575 -4.337 -9.367 1.00 21.25 H new ATOM 0 HE2 TYR A 132 11.454 -2.582 -9.333 1.00 34.42 H new ATOM 0 HH TYR A 132 10.344 -3.021 -11.187 1.00 42.41 H new ATOM 2063 N PHE A 133 10.477 -0.796 -3.839 1.00 63.34 N ATOM 2064 CA PHE A 133 11.515 0.212 -4.082 1.00 1.14 C ATOM 2065 C PHE A 133 12.503 -0.322 -5.159 1.00 3.43 C ATOM 2066 O PHE A 133 12.682 -1.541 -5.286 1.00 33.41 O ATOM 2067 CB PHE A 133 12.245 0.521 -2.746 1.00 71.10 C ATOM 2068 CG PHE A 133 13.400 1.517 -2.868 1.00 63.43 C ATOM 2069 CD1 PHE A 133 13.160 2.890 -2.913 1.00 74.42 C ATOM 2070 CD2 PHE A 133 14.726 1.074 -2.963 1.00 0.43 C ATOM 2071 CE1 PHE A 133 14.207 3.785 -3.043 1.00 52.54 C ATOM 2072 CE2 PHE A 133 15.765 1.969 -3.100 1.00 54.22 C ATOM 2073 CZ PHE A 133 15.509 3.321 -3.138 1.00 44.24 C ATOM 0 H PHE A 133 10.557 -1.251 -2.930 1.00 63.34 H new ATOM 0 HA PHE A 133 11.073 1.137 -4.453 1.00 1.14 H new ATOM 0 HB2 PHE A 133 11.519 0.911 -2.032 1.00 71.10 H new ATOM 0 HB3 PHE A 133 12.629 -0.412 -2.332 1.00 71.10 H new ATOM 0 HD1 PHE A 133 12.147 3.258 -2.846 1.00 74.42 H new ATOM 0 HD2 PHE A 133 14.937 0.015 -2.928 1.00 0.43 H new ATOM 0 HE1 PHE A 133 14.009 4.846 -3.070 1.00 52.54 H new ATOM 0 HE2 PHE A 133 16.780 1.609 -3.178 1.00 54.22 H new ATOM 0 HZ PHE A 133 16.325 4.021 -3.242 1.00 44.24 H new ATOM 2083 N ARG A 134 13.138 0.593 -5.925 1.00 12.51 N ATOM 2084 CA ARG A 134 14.086 0.232 -7.016 1.00 14.44 C ATOM 2085 C ARG A 134 15.372 -0.422 -6.437 1.00 41.10 C ATOM 2086 O ARG A 134 16.370 0.258 -6.163 1.00 42.33 O ATOM 2087 CB ARG A 134 14.424 1.482 -7.898 1.00 33.31 C ATOM 2088 CG ARG A 134 13.320 1.905 -8.908 1.00 72.34 C ATOM 2089 CD ARG A 134 11.984 2.269 -8.245 1.00 71.10 C ATOM 2090 NE ARG A 134 10.925 2.551 -9.230 1.00 45.31 N ATOM 2091 CZ ARG A 134 9.636 2.389 -9.031 1.00 20.34 C ATOM 2092 NH1 ARG A 134 9.193 1.863 -7.932 1.00 5.44 N ATOM 2093 NH2 ARG A 134 8.797 2.733 -9.950 1.00 3.40 N ATOM 0 H ARG A 134 13.012 1.599 -5.810 1.00 12.51 H new ATOM 0 HA ARG A 134 13.603 -0.504 -7.659 1.00 14.44 H new ATOM 0 HB2 ARG A 134 14.632 2.325 -7.239 1.00 33.31 H new ATOM 0 HB3 ARG A 134 15.340 1.277 -8.452 1.00 33.31 H new ATOM 0 HG2 ARG A 134 13.675 2.760 -9.484 1.00 72.34 H new ATOM 0 HG3 ARG A 134 13.155 1.091 -9.614 1.00 72.34 H new ATOM 0 HD2 ARG A 134 11.667 1.450 -7.600 1.00 71.10 H new ATOM 0 HD3 ARG A 134 12.124 3.142 -7.607 1.00 71.10 H new ATOM 0 HE ARG A 134 11.217 2.901 -10.143 1.00 45.31 H new ATOM 0 HH11 ARG A 134 9.848 1.569 -7.207 1.00 5.44 H new ATOM 0 HH12 ARG A 134 8.190 1.744 -7.792 1.00 5.44 H new ATOM 0 HH21 ARG A 134 9.135 3.129 -10.827 1.00 3.40 H new ATOM 0 HH22 ARG A 134 7.796 2.609 -9.799 1.00 3.40 H new ATOM 2107 N GLY A 135 15.290 -1.745 -6.205 1.00 11.13 N ATOM 2108 CA GLY A 135 16.352 -2.516 -5.560 1.00 71.33 C ATOM 2109 C GLY A 135 15.814 -3.798 -4.894 1.00 43.11 C ATOM 2110 O GLY A 135 14.951 -4.482 -5.465 1.00 32.12 O ATOM 0 H GLY A 135 14.478 -2.306 -6.464 1.00 11.13 H new ATOM 0 HA2 GLY A 135 17.107 -2.782 -6.300 1.00 71.33 H new ATOM 0 HA3 GLY A 135 16.844 -1.897 -4.810 1.00 71.33 H new ATOM 2114 N LEU A 136 16.350 -4.112 -3.697 1.00 71.21 N ATOM 2115 CA LEU A 136 15.887 -5.221 -2.815 1.00 52.32 C ATOM 2116 C LEU A 136 15.980 -6.631 -3.475 1.00 1.42 C ATOM 2117 O LEU A 136 15.016 -7.121 -4.065 1.00 41.40 O ATOM 2118 CB LEU A 136 14.441 -4.960 -2.252 1.00 1.55 C ATOM 2119 CG LEU A 136 14.285 -3.855 -1.147 1.00 22.25 C ATOM 2120 CD1 LEU A 136 15.185 -4.150 0.073 1.00 52.20 C ATOM 2121 CD2 LEU A 136 14.529 -2.435 -1.705 1.00 13.52 C ATOM 0 H LEU A 136 17.135 -3.594 -3.301 1.00 71.21 H new ATOM 0 HA LEU A 136 16.586 -5.228 -1.978 1.00 52.32 H new ATOM 0 HB2 LEU A 136 13.797 -4.692 -3.089 1.00 1.55 H new ATOM 0 HB3 LEU A 136 14.063 -5.898 -1.846 1.00 1.55 H new ATOM 0 HG LEU A 136 13.249 -3.885 -0.808 1.00 22.25 H new ATOM 0 HD11 LEU A 136 15.054 -3.367 0.820 1.00 52.20 H new ATOM 0 HD12 LEU A 136 14.909 -5.112 0.504 1.00 52.20 H new ATOM 0 HD13 LEU A 136 16.228 -4.179 -0.243 1.00 52.20 H new ATOM 0 HD21 LEU A 136 14.410 -1.704 -0.905 1.00 13.52 H new ATOM 0 HD22 LEU A 136 15.540 -2.371 -2.108 1.00 13.52 H new ATOM 0 HD23 LEU A 136 13.809 -2.226 -2.497 1.00 13.52 H new ATOM 2133 N GLU A 137 17.159 -7.271 -3.367 1.00 42.42 N ATOM 2134 CA GLU A 137 17.363 -8.687 -3.775 1.00 72.12 C ATOM 2135 C GLU A 137 17.262 -9.620 -2.540 1.00 5.54 C ATOM 2136 O GLU A 137 17.621 -9.223 -1.424 1.00 31.51 O ATOM 2137 CB GLU A 137 18.733 -8.889 -4.504 1.00 33.33 C ATOM 2138 CG GLU A 137 20.019 -8.690 -3.650 1.00 52.40 C ATOM 2139 CD GLU A 137 20.347 -7.219 -3.309 1.00 0.43 C ATOM 2140 OE1 GLU A 137 21.033 -6.552 -4.110 1.00 15.45 O ATOM 2141 OE2 GLU A 137 19.913 -6.720 -2.242 1.00 31.53 O ATOM 0 H GLU A 137 18.000 -6.828 -2.996 1.00 42.42 H new ATOM 0 HA GLU A 137 16.575 -8.946 -4.483 1.00 72.12 H new ATOM 0 HB2 GLU A 137 18.752 -9.897 -4.917 1.00 33.33 H new ATOM 0 HB3 GLU A 137 18.775 -8.199 -5.346 1.00 33.33 H new ATOM 0 HG2 GLU A 137 19.911 -9.249 -2.720 1.00 52.40 H new ATOM 0 HG3 GLU A 137 20.865 -9.122 -4.185 1.00 52.40 H new ATOM 2148 N HIS A 138 16.757 -10.854 -2.754 1.00 71.44 N ATOM 2149 CA HIS A 138 16.566 -11.862 -1.677 1.00 53.40 C ATOM 2150 C HIS A 138 16.274 -13.269 -2.268 1.00 14.03 C ATOM 2151 O HIS A 138 16.284 -13.448 -3.493 1.00 64.12 O ATOM 2152 CB HIS A 138 15.429 -11.417 -0.702 1.00 14.52 C ATOM 2153 CG HIS A 138 14.065 -11.259 -1.329 1.00 55.03 C ATOM 2154 ND1 HIS A 138 13.630 -10.084 -1.904 1.00 54.12 N ATOM 2155 CD2 HIS A 138 13.030 -12.129 -1.448 1.00 14.25 C ATOM 2156 CE1 HIS A 138 12.400 -10.241 -2.344 1.00 11.51 C ATOM 2157 NE2 HIS A 138 12.013 -11.470 -2.087 1.00 71.34 N ATOM 0 H HIS A 138 16.469 -11.184 -3.675 1.00 71.44 H new ATOM 0 HA HIS A 138 17.495 -11.929 -1.110 1.00 53.40 H new ATOM 0 HB2 HIS A 138 15.358 -12.148 0.104 1.00 14.52 H new ATOM 0 HB3 HIS A 138 15.714 -10.468 -0.248 1.00 14.52 H new ATOM 0 HD1 HIS A 138 14.177 -9.226 -1.977 1.00 54.12 H new ATOM 0 HD2 HIS A 138 13.012 -13.152 -1.103 1.00 14.25 H new ATOM 0 HE1 HIS A 138 11.806 -9.484 -2.835 1.00 11.51 H new ATOM 2166 N HIS A 139 16.030 -14.263 -1.372 1.00 75.31 N ATOM 2167 CA HIS A 139 15.604 -15.635 -1.763 1.00 23.35 C ATOM 2168 C HIS A 139 14.344 -15.589 -2.669 1.00 32.12 C ATOM 2169 O HIS A 139 13.283 -15.136 -2.242 1.00 35.13 O ATOM 2170 CB HIS A 139 15.339 -16.504 -0.501 1.00 44.43 C ATOM 2171 CG HIS A 139 16.566 -16.756 0.342 1.00 60.42 C ATOM 2172 ND1 HIS A 139 16.737 -16.239 1.610 1.00 42.31 N ATOM 2173 CD2 HIS A 139 17.677 -17.495 0.094 1.00 61.41 C ATOM 2174 CE1 HIS A 139 17.889 -16.645 2.101 1.00 11.11 C ATOM 2175 NE2 HIS A 139 18.476 -17.408 1.206 1.00 75.22 N ATOM 0 H HIS A 139 16.122 -14.137 -0.364 1.00 75.31 H new ATOM 0 HA HIS A 139 16.413 -16.091 -2.333 1.00 23.35 H new ATOM 0 HB2 HIS A 139 14.584 -16.013 0.113 1.00 44.43 H new ATOM 0 HB3 HIS A 139 14.923 -17.462 -0.813 1.00 44.43 H new ATOM 0 HD2 HIS A 139 17.892 -18.048 -0.809 1.00 61.41 H new ATOM 0 HE1 HIS A 139 18.285 -16.394 3.074 1.00 11.11 H new ATOM 0 HE2 HIS A 139 19.382 -17.863 1.320 1.00 75.22 H new ATOM 2184 N HIS A 140 14.496 -16.078 -3.913 1.00 72.12 N ATOM 2185 CA HIS A 140 13.544 -15.828 -5.022 1.00 31.43 C ATOM 2186 C HIS A 140 12.181 -16.547 -4.819 1.00 74.24 C ATOM 2187 O HIS A 140 11.186 -15.900 -4.493 1.00 0.14 O ATOM 2188 CB HIS A 140 14.206 -16.240 -6.360 1.00 13.41 C ATOM 2189 CG HIS A 140 15.575 -15.637 -6.556 1.00 20.33 C ATOM 2190 ND1 HIS A 140 16.741 -16.358 -6.406 1.00 15.41 N ATOM 2191 CD2 HIS A 140 15.960 -14.374 -6.866 1.00 31.34 C ATOM 2192 CE1 HIS A 140 17.775 -15.571 -6.610 1.00 65.14 C ATOM 2193 NE2 HIS A 140 17.333 -14.363 -6.891 1.00 2.31 N ATOM 0 H HIS A 140 15.287 -16.662 -4.184 1.00 72.12 H new ATOM 0 HA HIS A 140 13.315 -14.762 -5.039 1.00 31.43 H new ATOM 0 HB2 HIS A 140 14.286 -17.326 -6.399 1.00 13.41 H new ATOM 0 HB3 HIS A 140 13.561 -15.938 -7.185 1.00 13.41 H new ATOM 0 HD2 HIS A 140 15.309 -13.534 -7.057 1.00 31.34 H new ATOM 0 HE1 HIS A 140 18.812 -15.866 -6.556 1.00 65.14 H new ATOM 0 HE2 HIS A 140 17.916 -13.551 -7.094 1.00 2.31 H new ATOM 2202 N HIS A 141 12.144 -17.886 -5.013 1.00 2.33 N ATOM 2203 CA HIS A 141 10.893 -18.690 -4.888 1.00 30.43 C ATOM 2204 C HIS A 141 11.177 -20.096 -4.294 1.00 3.03 C ATOM 2205 O HIS A 141 11.831 -20.930 -4.936 1.00 52.44 O ATOM 2206 CB HIS A 141 10.184 -18.835 -6.265 1.00 45.11 C ATOM 2207 CG HIS A 141 9.578 -17.561 -6.801 1.00 40.43 C ATOM 2208 ND1 HIS A 141 8.490 -16.952 -6.214 1.00 10.20 N ATOM 2209 CD2 HIS A 141 9.915 -16.772 -7.852 1.00 44.10 C ATOM 2210 CE1 HIS A 141 8.185 -15.861 -6.865 1.00 60.31 C ATOM 2211 NE2 HIS A 141 9.030 -15.724 -7.863 1.00 31.42 N ATOM 0 H HIS A 141 12.966 -18.439 -5.258 1.00 2.33 H new ATOM 0 HA HIS A 141 10.234 -18.154 -4.205 1.00 30.43 H new ATOM 0 HB2 HIS A 141 10.904 -19.212 -6.991 1.00 45.11 H new ATOM 0 HB3 HIS A 141 9.398 -19.585 -6.176 1.00 45.11 H new ATOM 0 HD1 HIS A 141 7.996 -17.301 -5.393 1.00 10.20 H new ATOM 0 HD2 HIS A 141 10.725 -16.937 -8.547 1.00 44.10 H new ATOM 0 HE1 HIS A 141 7.377 -15.187 -6.624 1.00 60.31 H new ATOM 2220 N HIS A 142 10.666 -20.324 -3.075 1.00 42.40 N ATOM 2221 CA HIS A 142 10.706 -21.624 -2.348 1.00 64.41 C ATOM 2222 C HIS A 142 9.976 -21.444 -0.995 1.00 55.32 C ATOM 2223 O HIS A 142 9.180 -22.286 -0.574 1.00 33.23 O ATOM 2224 CB HIS A 142 12.164 -22.176 -2.136 1.00 12.10 C ATOM 2225 CG HIS A 142 12.367 -23.552 -2.724 1.00 35.50 C ATOM 2226 ND1 HIS A 142 11.905 -24.708 -2.124 1.00 41.11 N ATOM 2227 CD2 HIS A 142 12.923 -23.945 -3.894 1.00 55.30 C ATOM 2228 CE1 HIS A 142 12.169 -25.739 -2.897 1.00 35.14 C ATOM 2229 NE2 HIS A 142 12.785 -25.307 -3.976 1.00 30.53 N ATOM 0 H HIS A 142 10.196 -19.592 -2.542 1.00 42.40 H new ATOM 0 HA HIS A 142 10.203 -22.373 -2.960 1.00 64.41 H new ATOM 0 HB2 HIS A 142 12.877 -21.486 -2.587 1.00 12.10 H new ATOM 0 HB3 HIS A 142 12.383 -22.207 -1.069 1.00 12.10 H new ATOM 0 HD2 HIS A 142 13.389 -23.304 -4.628 1.00 55.30 H new ATOM 0 HE1 HIS A 142 11.921 -26.768 -2.682 1.00 35.14 H new ATOM 0 HE2 HIS A 142 13.108 -25.890 -4.748 1.00 30.53 H new ATOM 2238 N HIS A 143 10.279 -20.315 -0.340 1.00 23.45 N ATOM 2239 CA HIS A 143 9.574 -19.830 0.862 1.00 2.22 C ATOM 2240 C HIS A 143 9.181 -18.360 0.648 1.00 22.35 C ATOM 2241 O HIS A 143 10.049 -17.487 0.541 1.00 62.44 O ATOM 2242 CB HIS A 143 10.472 -19.997 2.123 1.00 3.44 C ATOM 2243 CG HIS A 143 9.855 -19.489 3.407 1.00 23.33 C ATOM 2244 ND1 HIS A 143 8.946 -20.220 4.143 1.00 50.43 N ATOM 2245 CD2 HIS A 143 10.020 -18.321 4.084 1.00 21.15 C ATOM 2246 CE1 HIS A 143 8.580 -19.530 5.203 1.00 44.33 C ATOM 2247 NE2 HIS A 143 9.217 -18.376 5.194 1.00 71.13 N ATOM 0 H HIS A 143 11.036 -19.698 -0.634 1.00 23.45 H new ATOM 0 HA HIS A 143 8.671 -20.419 1.025 1.00 2.22 H new ATOM 0 HB2 HIS A 143 10.713 -21.053 2.244 1.00 3.44 H new ATOM 0 HB3 HIS A 143 11.413 -19.473 1.955 1.00 3.44 H new ATOM 0 HD2 HIS A 143 10.664 -17.502 3.800 1.00 21.15 H new ATOM 0 HE1 HIS A 143 7.876 -19.855 5.954 1.00 44.33 H new ATOM 0 HE2 HIS A 143 9.127 -17.643 5.898 1.00 71.13 H new TER 2256 HIS A 143