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 HE2:sc= 0.099 K(o=1.7,f=0.67) USER MOD Set 1.2: A 114 SER OG : rot -66:sc= 1.18 USER MOD Set 1.3: A 115 TYR OH : rot -159:sc= 0.455 USER MOD Set 2.1: A 105 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Set 3.1: A 64 TYR OH : rot 34:sc= 0.753 USER MOD Set 3.2: A 84 HIS : no HD1:sc= -0.181 K(o=0.57,f=-4) USER MOD Set 4.1: A 30 TYR OH : rot -30:sc= -0.138 USER MOD Set 4.2: A 32 MET CE :methyl -169:sc= -0.0977 (180deg=-0.131) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0801 (180deg=-0.0801) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 22 TYR OH : rot -146:sc= -0.36 USER MOD Single : A 24 GLN : amide:sc= -1.71 K(o=-1.7,f=-3.1!) USER MOD Single : A 28 ASN : amide:sc= 0.0642 X(o=0.064,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : A 38 THR OG1 : rot 73:sc= 0.311 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -83:sc= 0.803 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.0737 X(o=-0.074,f=-0.00082) USER MOD Single : A 71 ASN : amide:sc=-0.00373 X(o=-0.0037,f=-0.0037) USER MOD Single : A 72 ASN : amide:sc= -0.23 K(o=-0.23,f=-4!) USER MOD Single : A 74 HIS :FLIP no HE2:sc= -0.277 F(o=-2.5!,f=-0.28) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0856 F(o=-0.67,f=-0.086) USER MOD Single : A 81 ASN : amide:sc= -2.29 K(o=-2.3,f=-3.1!) 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= -0.284 X(o=-0.28,f=-0.0062) USER MOD Single : A 102 THR OG1 : rot 67:sc= 0.799 USER MOD Single : A 103 TYR OH : rot 65:sc= 0.66 USER MOD Single : A 104 HIS :FLIP no HE2:sc= 0.191 F(o=-1.2,f=0.19) USER MOD Single : A 108 TYR OH : rot -141:sc= 0.294 USER MOD Single : A 113 ASN :FLIP amide:sc=-0.00597 F(o=-2.1,f=-0.006) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot -80:sc= -0.656 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.448 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 139 HIS : no HE2:sc= -0.757 K(o=-0.76,f=-2.1!) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 HIS : no HE2:sc= -1.79 X(o=-1.8,f=-1.9) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.00067) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.266 -9.091 -9.070 1.00 20.43 N ATOM 2 CA MET A 1 13.467 -10.344 -9.060 1.00 53.45 C ATOM 3 C MET A 1 12.055 -10.070 -8.485 1.00 73.40 C ATOM 4 O MET A 1 11.884 -10.017 -7.259 1.00 62.10 O ATOM 5 CB MET A 1 14.184 -11.464 -8.246 1.00 72.10 C ATOM 6 CG MET A 1 15.556 -11.865 -8.802 1.00 21.31 C ATOM 7 SD MET A 1 15.480 -12.316 -10.551 1.00 24.42 S ATOM 8 CE MET A 1 17.177 -12.795 -10.878 1.00 22.03 C ATOM 0 H1 MET A 1 15.211 -9.285 -9.457 1.00 20.43 H new ATOM 0 H2 MET A 1 13.789 -8.380 -9.660 1.00 20.43 H new ATOM 0 H3 MET A 1 14.357 -8.730 -8.099 1.00 20.43 H new ATOM 0 HA MET A 1 13.367 -10.694 -10.088 1.00 53.45 H new ATOM 0 HB2 MET A 1 14.306 -11.128 -7.216 1.00 72.10 H new ATOM 0 HB3 MET A 1 13.543 -12.345 -8.220 1.00 72.10 H new ATOM 0 HG2 MET A 1 16.254 -11.038 -8.672 1.00 21.31 H new ATOM 0 HG3 MET A 1 15.947 -12.706 -8.229 1.00 21.31 H new ATOM 0 HE1 MET A 1 17.275 -13.097 -11.921 1.00 22.03 H new ATOM 0 HE2 MET A 1 17.838 -11.951 -10.681 1.00 22.03 H new ATOM 0 HE3 MET A 1 17.451 -13.629 -10.231 1.00 22.03 H new ATOM 20 N PRO A 2 11.018 -9.842 -9.359 1.00 5.44 N ATOM 21 CA PRO A 2 9.613 -9.666 -8.903 1.00 41.41 C ATOM 22 C PRO A 2 9.022 -10.978 -8.320 1.00 4.21 C ATOM 23 O PRO A 2 9.385 -12.081 -8.748 1.00 61.50 O ATOM 24 CB PRO A 2 8.873 -9.210 -10.191 1.00 41.42 C ATOM 25 CG PRO A 2 9.686 -9.781 -11.314 1.00 20.21 C ATOM 26 CD PRO A 2 11.128 -9.731 -10.843 1.00 50.44 C ATOM 0 HA PRO A 2 9.519 -8.948 -8.088 1.00 41.41 H new ATOM 0 HB2 PRO A 2 7.849 -9.583 -10.213 1.00 41.42 H new ATOM 0 HB3 PRO A 2 8.818 -8.123 -10.253 1.00 41.42 H new ATOM 0 HG2 PRO A 2 9.382 -10.804 -11.537 1.00 20.21 H new ATOM 0 HG3 PRO A 2 9.552 -9.202 -12.228 1.00 20.21 H new ATOM 0 HD2 PRO A 2 11.715 -10.547 -11.263 1.00 50.44 H new ATOM 0 HD3 PRO A 2 11.615 -8.802 -11.140 1.00 50.44 H new ATOM 34 N LEU A 3 8.146 -10.846 -7.312 1.00 62.34 N ATOM 35 CA LEU A 3 7.474 -11.996 -6.671 1.00 53.12 C ATOM 36 C LEU A 3 5.990 -11.986 -7.087 1.00 5.32 C ATOM 37 O LEU A 3 5.271 -11.066 -6.749 1.00 61.33 O ATOM 38 CB LEU A 3 7.619 -11.913 -5.115 1.00 71.41 C ATOM 39 CG LEU A 3 7.594 -13.265 -4.303 1.00 14.34 C ATOM 40 CD1 LEU A 3 7.605 -12.991 -2.789 1.00 4.42 C ATOM 41 CD2 LEU A 3 6.408 -14.191 -4.677 1.00 0.55 C ATOM 0 H LEU A 3 7.882 -9.944 -6.917 1.00 62.34 H new ATOM 0 HA LEU A 3 7.937 -12.928 -6.995 1.00 53.12 H new ATOM 0 HB2 LEU A 3 8.558 -11.405 -4.892 1.00 71.41 H new ATOM 0 HB3 LEU A 3 6.817 -11.280 -4.737 1.00 71.41 H new ATOM 0 HG LEU A 3 8.501 -13.801 -4.582 1.00 14.34 H new ATOM 0 HD11 LEU A 3 7.587 -13.937 -2.248 1.00 4.42 H new ATOM 0 HD12 LEU A 3 8.507 -12.439 -2.526 1.00 4.42 H new ATOM 0 HD13 LEU A 3 6.728 -12.402 -2.519 1.00 4.42 H new ATOM 0 HD21 LEU A 3 6.455 -15.101 -4.080 1.00 0.55 H new ATOM 0 HD22 LEU A 3 5.468 -13.676 -4.480 1.00 0.55 H new ATOM 0 HD23 LEU A 3 6.466 -14.448 -5.735 1.00 0.55 H new ATOM 53 N GLU A 4 5.530 -13.026 -7.789 1.00 12.42 N ATOM 54 CA GLU A 4 4.130 -13.105 -8.276 1.00 21.23 C ATOM 55 C GLU A 4 3.400 -14.255 -7.569 1.00 50.53 C ATOM 56 O GLU A 4 3.971 -15.336 -7.389 1.00 23.12 O ATOM 57 CB GLU A 4 4.057 -13.314 -9.830 1.00 22.13 C ATOM 58 CG GLU A 4 5.179 -12.642 -10.664 1.00 11.22 C ATOM 59 CD GLU A 4 6.387 -13.570 -10.914 1.00 2.35 C ATOM 60 OE1 GLU A 4 7.222 -13.748 -10.004 1.00 3.42 O ATOM 61 OE2 GLU A 4 6.481 -14.151 -12.015 1.00 60.03 O ATOM 0 H GLU A 4 6.102 -13.833 -8.039 1.00 12.42 H new ATOM 0 HA GLU A 4 3.648 -12.155 -8.045 1.00 21.23 H new ATOM 0 HB2 GLU A 4 4.074 -14.385 -10.033 1.00 22.13 H new ATOM 0 HB3 GLU A 4 3.096 -12.938 -10.182 1.00 22.13 H new ATOM 0 HG2 GLU A 4 4.769 -12.323 -11.622 1.00 11.22 H new ATOM 0 HG3 GLU A 4 5.519 -11.744 -10.148 1.00 11.22 H new ATOM 68 N TRP A 5 2.146 -14.022 -7.163 1.00 45.31 N ATOM 69 CA TRP A 5 1.272 -15.090 -6.666 1.00 71.45 C ATOM 70 C TRP A 5 0.488 -15.715 -7.837 1.00 32.44 C ATOM 71 O TRP A 5 0.066 -15.015 -8.764 1.00 11.15 O ATOM 72 CB TRP A 5 0.293 -14.585 -5.574 1.00 50.40 C ATOM 73 CG TRP A 5 -0.454 -15.731 -4.928 1.00 3.40 C ATOM 74 CD1 TRP A 5 0.097 -16.734 -4.184 1.00 35.34 C ATOM 75 CD2 TRP A 5 -1.852 -16.028 -5.014 1.00 63.51 C ATOM 76 NE1 TRP A 5 -0.861 -17.633 -3.826 1.00 13.42 N ATOM 77 CE2 TRP A 5 -2.063 -17.222 -4.306 1.00 33.03 C ATOM 78 CE3 TRP A 5 -2.944 -15.403 -5.619 1.00 3.12 C ATOM 79 CZ2 TRP A 5 -3.312 -17.811 -4.187 1.00 61.52 C ATOM 80 CZ3 TRP A 5 -4.189 -15.990 -5.497 1.00 13.20 C ATOM 81 CH2 TRP A 5 -4.362 -17.186 -4.786 1.00 74.33 C ATOM 0 H TRP A 5 1.713 -13.099 -7.169 1.00 45.31 H new ATOM 0 HA TRP A 5 1.907 -15.847 -6.206 1.00 71.45 H new ATOM 0 HB2 TRP A 5 0.847 -14.035 -4.813 1.00 50.40 H new ATOM 0 HB3 TRP A 5 -0.419 -13.888 -6.016 1.00 50.40 H new ATOM 0 HD1 TRP A 5 1.141 -16.804 -3.918 1.00 35.34 H new ATOM 0 HE1 TRP A 5 -0.701 -18.481 -3.283 1.00 13.42 H new ATOM 0 HE3 TRP A 5 -2.819 -14.482 -6.169 1.00 3.12 H new ATOM 0 HZ2 TRP A 5 -3.447 -18.732 -3.639 1.00 61.52 H new ATOM 0 HZ3 TRP A 5 -5.045 -15.519 -5.958 1.00 13.20 H new ATOM 0 HH2 TRP A 5 -5.348 -17.620 -4.712 1.00 74.33 H new ATOM 92 N ARG A 6 0.279 -17.033 -7.763 1.00 65.32 N ATOM 93 CA ARG A 6 -0.415 -17.804 -8.809 1.00 32.21 C ATOM 94 C ARG A 6 -1.457 -18.753 -8.186 1.00 52.12 C ATOM 95 O ARG A 6 -1.353 -19.119 -7.006 1.00 51.21 O ATOM 96 CB ARG A 6 0.633 -18.589 -9.641 1.00 1.13 C ATOM 97 CG ARG A 6 1.455 -19.632 -8.841 1.00 24.20 C ATOM 98 CD ARG A 6 2.604 -20.235 -9.668 1.00 24.22 C ATOM 99 NE ARG A 6 2.136 -20.797 -10.948 1.00 4.34 N ATOM 100 CZ ARG A 6 2.902 -21.238 -11.917 1.00 74.04 C ATOM 101 NH1 ARG A 6 4.192 -21.246 -11.809 1.00 25.14 N ATOM 102 NH2 ARG A 6 2.360 -21.677 -12.999 1.00 11.21 N ATOM 0 H ARG A 6 0.586 -17.601 -6.974 1.00 65.32 H new ATOM 0 HA ARG A 6 -0.951 -17.121 -9.468 1.00 32.21 H new ATOM 0 HB2 ARG A 6 0.120 -19.100 -10.455 1.00 1.13 H new ATOM 0 HB3 ARG A 6 1.322 -17.877 -10.096 1.00 1.13 H new ATOM 0 HG2 ARG A 6 1.863 -19.160 -7.947 1.00 24.20 H new ATOM 0 HG3 ARG A 6 0.794 -20.431 -8.506 1.00 24.20 H new ATOM 0 HD2 ARG A 6 3.351 -19.466 -9.863 1.00 24.22 H new ATOM 0 HD3 ARG A 6 3.095 -21.017 -9.088 1.00 24.22 H new ATOM 0 HE ARG A 6 1.128 -20.847 -11.093 1.00 4.34 H new ATOM 0 HH11 ARG A 6 4.634 -20.904 -10.956 1.00 25.14 H new ATOM 0 HH12 ARG A 6 4.766 -21.594 -12.577 1.00 25.14 H new ATOM 0 HH21 ARG A 6 1.345 -21.679 -13.096 1.00 11.21 H new ATOM 0 HH22 ARG A 6 2.946 -22.022 -13.759 1.00 11.21 H new ATOM 116 N ALA A 7 -2.463 -19.151 -8.983 1.00 42.25 N ATOM 117 CA ALA A 7 -3.461 -20.153 -8.558 1.00 35.51 C ATOM 118 C ALA A 7 -2.803 -21.548 -8.430 1.00 13.25 C ATOM 119 O ALA A 7 -2.076 -21.979 -9.329 1.00 1.32 O ATOM 120 CB ALA A 7 -4.635 -20.192 -9.543 1.00 70.43 C ATOM 0 H ALA A 7 -2.609 -18.794 -9.928 1.00 42.25 H new ATOM 0 HA ALA A 7 -3.848 -19.867 -7.580 1.00 35.51 H new ATOM 0 HB1 ALA A 7 -5.361 -20.936 -9.215 1.00 70.43 H new ATOM 0 HB2 ALA A 7 -5.111 -19.212 -9.581 1.00 70.43 H new ATOM 0 HB3 ALA A 7 -4.269 -20.456 -10.535 1.00 70.43 H new ATOM 126 N GLY A 8 -3.072 -22.243 -7.311 1.00 70.34 N ATOM 127 CA GLY A 8 -2.423 -23.530 -7.008 1.00 33.05 C ATOM 128 C GLY A 8 -1.206 -23.413 -6.077 1.00 75.20 C ATOM 129 O GLY A 8 -0.616 -24.433 -5.717 1.00 41.53 O ATOM 0 H GLY A 8 -3.736 -21.934 -6.601 1.00 70.34 H new ATOM 0 HA2 GLY A 8 -3.155 -24.195 -6.550 1.00 33.05 H new ATOM 0 HA3 GLY A 8 -2.109 -23.996 -7.942 1.00 33.05 H new ATOM 133 N ALA A 9 -0.820 -22.171 -5.697 1.00 41.31 N ATOM 134 CA ALA A 9 0.345 -21.917 -4.799 1.00 21.23 C ATOM 135 C ALA A 9 0.081 -22.370 -3.335 1.00 0.23 C ATOM 136 O ALA A 9 -1.063 -22.361 -2.866 1.00 32.22 O ATOM 137 CB ALA A 9 0.733 -20.428 -4.840 1.00 74.14 C ATOM 0 H ALA A 9 -1.298 -21.322 -5.998 1.00 41.31 H new ATOM 0 HA ALA A 9 1.175 -22.518 -5.171 1.00 21.23 H new ATOM 0 HB1 ALA A 9 1.584 -20.255 -4.181 1.00 74.14 H new ATOM 0 HB2 ALA A 9 1.001 -20.150 -5.859 1.00 74.14 H new ATOM 0 HB3 ALA A 9 -0.111 -19.823 -4.509 1.00 74.14 H new ATOM 143 N SER A 10 1.165 -22.732 -2.620 1.00 42.32 N ATOM 144 CA SER A 10 1.098 -23.216 -1.210 1.00 64.13 C ATOM 145 C SER A 10 1.088 -22.044 -0.213 1.00 71.13 C ATOM 146 O SER A 10 1.655 -20.980 -0.486 1.00 20.42 O ATOM 147 CB SER A 10 2.284 -24.159 -0.873 1.00 51.42 C ATOM 148 OG SER A 10 2.250 -25.349 -1.644 1.00 33.52 O ATOM 0 H SER A 10 2.113 -22.700 -2.995 1.00 42.32 H new ATOM 0 HA SER A 10 0.165 -23.772 -1.117 1.00 64.13 H new ATOM 0 HB2 SER A 10 3.224 -23.638 -1.052 1.00 51.42 H new ATOM 0 HB3 SER A 10 2.256 -24.412 0.187 1.00 51.42 H new ATOM 0 HG SER A 10 3.013 -25.916 -1.405 1.00 33.52 H new ATOM 154 N SER A 11 0.484 -22.296 0.964 1.00 41.51 N ATOM 155 CA SER A 11 0.316 -21.301 2.057 1.00 52.43 C ATOM 156 C SER A 11 1.647 -20.649 2.496 1.00 63.13 C ATOM 157 O SER A 11 1.677 -19.463 2.816 1.00 72.11 O ATOM 158 CB SER A 11 -0.349 -21.981 3.274 1.00 22.32 C ATOM 159 OG SER A 11 0.409 -23.100 3.713 1.00 30.23 O ATOM 0 H SER A 11 0.091 -23.209 1.192 1.00 41.51 H new ATOM 0 HA SER A 11 -0.315 -20.503 1.666 1.00 52.43 H new ATOM 0 HB2 SER A 11 -0.446 -21.262 4.088 1.00 22.32 H new ATOM 0 HB3 SER A 11 -1.357 -22.302 3.010 1.00 22.32 H new ATOM 0 HG SER A 11 -0.032 -23.511 4.485 1.00 30.23 H new ATOM 165 N ASP A 12 2.732 -21.441 2.490 1.00 12.42 N ATOM 166 CA ASP A 12 4.082 -20.992 2.908 1.00 43.04 C ATOM 167 C ASP A 12 4.626 -19.868 1.994 1.00 33.23 C ATOM 168 O ASP A 12 5.177 -18.872 2.482 1.00 51.41 O ATOM 169 CB ASP A 12 5.047 -22.194 2.912 1.00 4.21 C ATOM 170 CG ASP A 12 4.514 -23.354 3.763 1.00 25.21 C ATOM 171 OD1 ASP A 12 4.716 -23.347 4.998 1.00 75.21 O ATOM 172 OD2 ASP A 12 3.859 -24.264 3.205 1.00 55.35 O ATOM 0 H ASP A 12 2.703 -22.417 2.194 1.00 12.42 H new ATOM 0 HA ASP A 12 4.004 -20.580 3.914 1.00 43.04 H new ATOM 0 HB2 ASP A 12 5.204 -22.537 1.889 1.00 4.21 H new ATOM 0 HB3 ASP A 12 6.018 -21.879 3.295 1.00 4.21 H new ATOM 177 N GLU A 13 4.454 -20.038 0.664 1.00 63.24 N ATOM 178 CA GLU A 13 4.847 -19.006 -0.331 1.00 62.13 C ATOM 179 C GLU A 13 3.997 -17.730 -0.164 1.00 72.23 C ATOM 180 O GLU A 13 4.507 -16.616 -0.273 1.00 13.54 O ATOM 181 CB GLU A 13 4.722 -19.538 -1.787 1.00 44.55 C ATOM 182 CG GLU A 13 5.520 -20.825 -2.085 1.00 14.20 C ATOM 183 CD GLU A 13 7.011 -20.747 -1.688 1.00 14.32 C ATOM 184 OE1 GLU A 13 7.830 -20.224 -2.477 1.00 30.53 O ATOM 185 OE2 GLU A 13 7.368 -21.219 -0.579 1.00 22.54 O ATOM 0 H GLU A 13 4.047 -20.877 0.252 1.00 63.24 H new ATOM 0 HA GLU A 13 5.893 -18.762 -0.146 1.00 62.13 H new ATOM 0 HB2 GLU A 13 3.669 -19.724 -2.000 1.00 44.55 H new ATOM 0 HB3 GLU A 13 5.053 -18.757 -2.472 1.00 44.55 H new ATOM 0 HG2 GLU A 13 5.057 -21.658 -1.556 1.00 14.20 H new ATOM 0 HG3 GLU A 13 5.449 -21.045 -3.150 1.00 14.20 H new ATOM 192 N ILE A 14 2.700 -17.924 0.135 1.00 64.11 N ATOM 193 CA ILE A 14 1.746 -16.813 0.345 1.00 71.02 C ATOM 194 C ILE A 14 2.106 -16.001 1.617 1.00 30.31 C ATOM 195 O ILE A 14 1.955 -14.792 1.628 1.00 61.45 O ATOM 196 CB ILE A 14 0.260 -17.329 0.447 1.00 13.22 C ATOM 197 CG1 ILE A 14 -0.072 -18.270 -0.757 1.00 11.22 C ATOM 198 CG2 ILE A 14 -0.736 -16.140 0.516 1.00 62.12 C ATOM 199 CD1 ILE A 14 -1.474 -18.874 -0.762 1.00 52.53 C ATOM 0 H ILE A 14 2.282 -18.849 0.238 1.00 64.11 H new ATOM 0 HA ILE A 14 1.823 -16.162 -0.526 1.00 71.02 H new ATOM 0 HB ILE A 14 0.156 -17.902 1.368 1.00 13.22 H new ATOM 0 HG12 ILE A 14 0.064 -17.708 -1.681 1.00 11.22 H new ATOM 0 HG13 ILE A 14 0.653 -19.083 -0.769 1.00 11.22 H new ATOM 0 HG21 ILE A 14 -1.754 -16.522 0.586 1.00 62.12 H new ATOM 0 HG22 ILE A 14 -0.516 -15.531 1.393 1.00 62.12 H new ATOM 0 HG23 ILE A 14 -0.638 -15.531 -0.382 1.00 62.12 H new ATOM 0 HD11 ILE A 14 -1.594 -19.508 -1.640 1.00 52.53 H new ATOM 0 HD12 ILE A 14 -1.616 -19.471 0.139 1.00 52.53 H new ATOM 0 HD13 ILE A 14 -2.214 -18.075 -0.788 1.00 52.53 H new ATOM 211 N ASN A 15 2.588 -16.689 2.672 1.00 74.32 N ATOM 212 CA ASN A 15 3.068 -16.041 3.924 1.00 11.51 C ATOM 213 C ASN A 15 4.314 -15.164 3.666 1.00 1.45 C ATOM 214 O ASN A 15 4.466 -14.090 4.263 1.00 74.51 O ATOM 215 CB ASN A 15 3.378 -17.110 5.003 1.00 73.02 C ATOM 216 CG ASN A 15 2.135 -17.866 5.472 1.00 3.43 C ATOM 217 OD1 ASN A 15 1.040 -17.321 5.530 1.00 42.23 O ATOM 218 ND2 ASN A 15 2.291 -19.131 5.797 1.00 51.40 N ATOM 0 H ASN A 15 2.658 -17.706 2.687 1.00 74.32 H new ATOM 0 HA ASN A 15 2.271 -15.392 4.287 1.00 11.51 H new ATOM 0 HB2 ASN A 15 4.100 -17.822 4.604 1.00 73.02 H new ATOM 0 HB3 ASN A 15 3.847 -16.627 5.860 1.00 73.02 H new ATOM 0 HD21 ASN A 15 1.489 -19.681 6.106 1.00 51.40 H new ATOM 0 HD22 ASN A 15 3.214 -19.562 5.740 1.00 51.40 H new ATOM 225 N ALA A 16 5.198 -15.639 2.765 1.00 63.43 N ATOM 226 CA ALA A 16 6.372 -14.862 2.296 1.00 32.14 C ATOM 227 C ALA A 16 5.927 -13.600 1.510 1.00 32.22 C ATOM 228 O ALA A 16 6.558 -12.543 1.605 1.00 73.52 O ATOM 229 CB ALA A 16 7.284 -15.751 1.430 1.00 0.52 C ATOM 0 H ALA A 16 5.123 -16.564 2.343 1.00 63.43 H new ATOM 0 HA ALA A 16 6.935 -14.529 3.168 1.00 32.14 H new ATOM 0 HB1 ALA A 16 8.142 -15.171 1.091 1.00 0.52 H new ATOM 0 HB2 ALA A 16 7.630 -16.600 2.019 1.00 0.52 H new ATOM 0 HB3 ALA A 16 6.726 -16.112 0.566 1.00 0.52 H new ATOM 235 N ILE A 17 4.825 -13.741 0.742 1.00 61.41 N ATOM 236 CA ILE A 17 4.191 -12.626 -0.004 1.00 25.44 C ATOM 237 C ILE A 17 3.546 -11.602 0.960 1.00 63.34 C ATOM 238 O ILE A 17 3.715 -10.401 0.772 1.00 72.30 O ATOM 239 CB ILE A 17 3.121 -13.180 -1.024 1.00 72.31 C ATOM 240 CG1 ILE A 17 3.832 -14.074 -2.090 1.00 62.30 C ATOM 241 CG2 ILE A 17 2.293 -12.050 -1.696 1.00 44.02 C ATOM 242 CD1 ILE A 17 2.909 -14.816 -3.037 1.00 1.44 C ATOM 0 H ILE A 17 4.346 -14.633 0.620 1.00 61.41 H new ATOM 0 HA ILE A 17 4.971 -12.111 -0.565 1.00 25.44 H new ATOM 0 HB ILE A 17 2.406 -13.783 -0.465 1.00 72.31 H new ATOM 0 HG12 ILE A 17 4.500 -13.446 -2.679 1.00 62.30 H new ATOM 0 HG13 ILE A 17 4.455 -14.803 -1.571 1.00 62.30 H new ATOM 0 HG21 ILE A 17 1.573 -12.488 -2.387 1.00 44.02 H new ATOM 0 HG22 ILE A 17 1.763 -11.483 -0.931 1.00 44.02 H new ATOM 0 HG23 ILE A 17 2.962 -11.385 -2.242 1.00 44.02 H new ATOM 0 HD11 ILE A 17 3.502 -15.406 -3.736 1.00 1.44 H new ATOM 0 HD12 ILE A 17 2.257 -15.477 -2.466 1.00 1.44 H new ATOM 0 HD13 ILE A 17 2.303 -14.099 -3.591 1.00 1.44 H new ATOM 254 N ILE A 18 2.836 -12.095 2.004 1.00 63.31 N ATOM 255 CA ILE A 18 2.230 -11.246 3.062 1.00 73.40 C ATOM 256 C ILE A 18 3.306 -10.319 3.672 1.00 44.20 C ATOM 257 O ILE A 18 3.171 -9.096 3.665 1.00 53.23 O ATOM 258 CB ILE A 18 1.584 -12.114 4.225 1.00 42.44 C ATOM 259 CG1 ILE A 18 0.394 -12.987 3.716 1.00 44.24 C ATOM 260 CG2 ILE A 18 1.129 -11.233 5.416 1.00 11.35 C ATOM 261 CD1 ILE A 18 -0.190 -13.929 4.771 1.00 70.13 C ATOM 0 H ILE A 18 2.667 -13.092 2.137 1.00 63.31 H new ATOM 0 HA ILE A 18 1.440 -10.659 2.592 1.00 73.40 H new ATOM 0 HB ILE A 18 2.368 -12.785 4.575 1.00 42.44 H new ATOM 0 HG12 ILE A 18 -0.397 -12.329 3.356 1.00 44.24 H new ATOM 0 HG13 ILE A 18 0.730 -13.578 2.864 1.00 44.24 H new ATOM 0 HG21 ILE A 18 0.693 -11.865 6.190 1.00 11.35 H new ATOM 0 HG22 ILE A 18 1.988 -10.700 5.824 1.00 11.35 H new ATOM 0 HG23 ILE A 18 0.385 -10.513 5.073 1.00 11.35 H new ATOM 0 HD11 ILE A 18 -1.011 -14.498 4.336 1.00 70.13 H new ATOM 0 HD12 ILE A 18 0.584 -14.614 5.115 1.00 70.13 H new ATOM 0 HD13 ILE A 18 -0.560 -13.346 5.615 1.00 70.13 H new ATOM 273 N ARG A 19 4.399 -10.942 4.135 1.00 54.11 N ATOM 274 CA ARG A 19 5.516 -10.242 4.789 1.00 65.54 C ATOM 275 C ARG A 19 6.252 -9.289 3.819 1.00 70.32 C ATOM 276 O ARG A 19 6.684 -8.217 4.224 1.00 34.02 O ATOM 277 CB ARG A 19 6.483 -11.281 5.411 1.00 12.24 C ATOM 278 CG ARG A 19 7.621 -10.680 6.279 1.00 73.55 C ATOM 279 CD ARG A 19 8.232 -11.719 7.230 1.00 34.35 C ATOM 280 NE ARG A 19 9.212 -11.130 8.162 1.00 32.12 N ATOM 281 CZ ARG A 19 10.279 -11.740 8.641 1.00 45.04 C ATOM 282 NH1 ARG A 19 10.601 -12.942 8.269 1.00 65.24 N ATOM 283 NH2 ARG A 19 11.019 -11.136 9.506 1.00 3.00 N ATOM 0 H ARG A 19 4.535 -11.951 4.066 1.00 54.11 H new ATOM 0 HA ARG A 19 5.112 -9.614 5.583 1.00 65.54 H new ATOM 0 HB2 ARG A 19 5.905 -11.972 6.025 1.00 12.24 H new ATOM 0 HB3 ARG A 19 6.930 -11.866 4.607 1.00 12.24 H new ATOM 0 HG2 ARG A 19 8.400 -10.282 5.629 1.00 73.55 H new ATOM 0 HG3 ARG A 19 7.231 -9.844 6.859 1.00 73.55 H new ATOM 0 HD2 ARG A 19 7.435 -12.196 7.801 1.00 34.35 H new ATOM 0 HD3 ARG A 19 8.717 -12.500 6.645 1.00 34.35 H new ATOM 0 HE ARG A 19 9.051 -10.168 8.462 1.00 32.12 H new ATOM 0 HH11 ARG A 19 10.023 -13.438 7.590 1.00 65.24 H new ATOM 0 HH12 ARG A 19 11.432 -13.390 8.656 1.00 65.24 H new ATOM 0 HH21 ARG A 19 10.778 -10.194 9.815 1.00 3.00 H new ATOM 0 HH22 ARG A 19 11.846 -11.600 9.882 1.00 3.00 H new ATOM 297 N ALA A 20 6.353 -9.677 2.532 1.00 50.30 N ATOM 298 CA ALA A 20 6.986 -8.836 1.479 1.00 0.15 C ATOM 299 C ALA A 20 6.164 -7.546 1.203 1.00 5.40 C ATOM 300 O ALA A 20 6.735 -6.468 1.002 1.00 64.00 O ATOM 301 CB ALA A 20 7.167 -9.647 0.185 1.00 4.00 C ATOM 0 H ALA A 20 6.004 -10.572 2.189 1.00 50.30 H new ATOM 0 HA ALA A 20 7.966 -8.529 1.844 1.00 0.15 H new ATOM 0 HB1 ALA A 20 7.631 -9.019 -0.576 1.00 4.00 H new ATOM 0 HB2 ALA A 20 7.804 -10.509 0.382 1.00 4.00 H new ATOM 0 HB3 ALA A 20 6.194 -9.988 -0.170 1.00 4.00 H new ATOM 307 N VAL A 21 4.823 -7.687 1.206 1.00 53.44 N ATOM 308 CA VAL A 21 3.868 -6.561 1.057 1.00 1.04 C ATOM 309 C VAL A 21 3.937 -5.617 2.277 1.00 61.33 C ATOM 310 O VAL A 21 3.981 -4.397 2.146 1.00 73.11 O ATOM 311 CB VAL A 21 2.392 -7.097 0.895 1.00 64.21 C ATOM 312 CG1 VAL A 21 1.355 -5.952 0.964 1.00 61.53 C ATOM 313 CG2 VAL A 21 2.230 -7.908 -0.412 1.00 64.34 C ATOM 0 H VAL A 21 4.365 -8.592 1.313 1.00 53.44 H new ATOM 0 HA VAL A 21 4.149 -6.007 0.161 1.00 1.04 H new ATOM 0 HB VAL A 21 2.200 -7.765 1.734 1.00 64.21 H new ATOM 0 HG11 VAL A 21 0.352 -6.362 0.848 1.00 61.53 H new ATOM 0 HG12 VAL A 21 1.432 -5.449 1.928 1.00 61.53 H new ATOM 0 HG13 VAL A 21 1.549 -5.237 0.165 1.00 61.53 H new ATOM 0 HG21 VAL A 21 1.203 -8.263 -0.495 1.00 64.34 H new ATOM 0 HG22 VAL A 21 2.464 -7.272 -1.266 1.00 64.34 H new ATOM 0 HG23 VAL A 21 2.909 -8.761 -0.398 1.00 64.34 H new ATOM 323 N TYR A 22 3.929 -6.221 3.465 1.00 11.02 N ATOM 324 CA TYR A 22 4.019 -5.503 4.746 1.00 64.42 C ATOM 325 C TYR A 22 5.359 -4.744 4.920 1.00 45.13 C ATOM 326 O TYR A 22 5.385 -3.694 5.535 1.00 65.43 O ATOM 327 CB TYR A 22 3.828 -6.494 5.908 1.00 2.30 C ATOM 328 CG TYR A 22 2.395 -6.670 6.422 1.00 62.32 C ATOM 329 CD1 TYR A 22 1.847 -5.765 7.344 1.00 52.12 C ATOM 330 CD2 TYR A 22 1.615 -7.748 6.039 1.00 64.12 C ATOM 331 CE1 TYR A 22 0.578 -5.941 7.854 1.00 35.32 C ATOM 332 CE2 TYR A 22 0.350 -7.927 6.546 1.00 54.40 C ATOM 333 CZ TYR A 22 -0.164 -7.027 7.450 1.00 32.10 C ATOM 334 OH TYR A 22 -1.416 -7.226 7.963 1.00 60.51 O ATOM 0 H TYR A 22 3.859 -7.233 3.571 1.00 11.02 H new ATOM 0 HA TYR A 22 3.227 -4.754 4.750 1.00 64.42 H new ATOM 0 HB2 TYR A 22 4.200 -7.468 5.591 1.00 2.30 H new ATOM 0 HB3 TYR A 22 4.453 -6.170 6.740 1.00 2.30 H new ATOM 0 HD1 TYR A 22 2.431 -4.913 7.661 1.00 52.12 H new ATOM 0 HD2 TYR A 22 2.008 -8.461 5.329 1.00 64.12 H new ATOM 0 HE1 TYR A 22 0.171 -5.235 8.562 1.00 35.32 H new ATOM 0 HE2 TYR A 22 -0.241 -8.775 6.234 1.00 54.40 H new ATOM 0 HH TYR A 22 -1.585 -8.187 8.048 1.00 60.51 H new ATOM 344 N ARG A 23 6.476 -5.313 4.437 1.00 21.34 N ATOM 345 CA ARG A 23 7.795 -4.628 4.469 1.00 50.51 C ATOM 346 C ARG A 23 7.871 -3.512 3.405 1.00 44.42 C ATOM 347 O ARG A 23 8.580 -2.521 3.587 1.00 5.31 O ATOM 348 CB ARG A 23 8.965 -5.627 4.299 1.00 2.32 C ATOM 349 CG ARG A 23 9.106 -6.630 5.468 1.00 65.51 C ATOM 350 CD ARG A 23 10.437 -7.396 5.432 1.00 11.22 C ATOM 351 NE ARG A 23 11.587 -6.492 5.631 1.00 72.02 N ATOM 352 CZ ARG A 23 12.790 -6.861 6.012 1.00 22.01 C ATOM 353 NH1 ARG A 23 13.085 -8.111 6.192 1.00 44.51 N ATOM 354 NH2 ARG A 23 13.699 -5.970 6.204 1.00 35.31 N ATOM 0 H ARG A 23 6.500 -6.243 4.019 1.00 21.34 H new ATOM 0 HA ARG A 23 7.893 -4.169 5.453 1.00 50.51 H new ATOM 0 HB2 ARG A 23 8.824 -6.182 3.372 1.00 2.32 H new ATOM 0 HB3 ARG A 23 9.895 -5.068 4.198 1.00 2.32 H new ATOM 0 HG2 ARG A 23 9.025 -6.094 6.414 1.00 65.51 H new ATOM 0 HG3 ARG A 23 8.281 -7.341 5.433 1.00 65.51 H new ATOM 0 HD2 ARG A 23 10.438 -8.163 6.206 1.00 11.22 H new ATOM 0 HD3 ARG A 23 10.537 -7.909 4.475 1.00 11.22 H new ATOM 0 HE ARG A 23 11.436 -5.498 5.459 1.00 72.02 H new ATOM 0 HH11 ARG A 23 12.377 -8.829 6.038 1.00 44.51 H new ATOM 0 HH12 ARG A 23 14.025 -8.376 6.488 1.00 44.51 H new ATOM 0 HH21 ARG A 23 13.484 -4.983 6.061 1.00 35.31 H new ATOM 0 HH22 ARG A 23 14.634 -6.251 6.500 1.00 35.31 H new ATOM 368 N GLN A 24 7.155 -3.709 2.293 1.00 31.20 N ATOM 369 CA GLN A 24 6.995 -2.682 1.241 1.00 20.32 C ATOM 370 C GLN A 24 6.259 -1.430 1.792 1.00 31.54 C ATOM 371 O GLN A 24 6.683 -0.299 1.560 1.00 40.41 O ATOM 372 CB GLN A 24 6.173 -3.297 0.076 1.00 1.13 C ATOM 373 CG GLN A 24 5.815 -2.341 -1.085 1.00 22.35 C ATOM 374 CD GLN A 24 4.533 -2.740 -1.819 1.00 64.05 C ATOM 375 OE1 GLN A 24 4.159 -3.907 -1.860 1.00 11.22 O ATOM 376 NE2 GLN A 24 3.847 -1.779 -2.406 1.00 51.31 N ATOM 0 H GLN A 24 6.668 -4.582 2.091 1.00 31.20 H new ATOM 0 HA GLN A 24 7.980 -2.369 0.894 1.00 20.32 H new ATOM 0 HB2 GLN A 24 6.734 -4.138 -0.333 1.00 1.13 H new ATOM 0 HB3 GLN A 24 5.247 -3.701 0.486 1.00 1.13 H new ATOM 0 HG2 GLN A 24 5.702 -1.330 -0.693 1.00 22.35 H new ATOM 0 HG3 GLN A 24 6.641 -2.317 -1.796 1.00 22.35 H new ATOM 0 HE21 GLN A 24 4.177 -0.815 -2.359 1.00 51.31 H new ATOM 0 HE22 GLN A 24 2.986 -2.000 -2.907 1.00 51.31 H new ATOM 385 N VAL A 25 5.156 -1.671 2.527 1.00 44.20 N ATOM 386 CA VAL A 25 4.315 -0.611 3.122 1.00 24.24 C ATOM 387 C VAL A 25 4.924 -0.020 4.429 1.00 14.13 C ATOM 388 O VAL A 25 4.881 1.182 4.639 1.00 32.20 O ATOM 389 CB VAL A 25 2.851 -1.130 3.368 1.00 54.43 C ATOM 390 CG1 VAL A 25 1.959 -0.046 4.025 1.00 51.55 C ATOM 391 CG2 VAL A 25 2.212 -1.638 2.045 1.00 24.32 C ATOM 0 H VAL A 25 4.820 -2.613 2.727 1.00 44.20 H new ATOM 0 HA VAL A 25 4.280 0.204 2.399 1.00 24.24 H new ATOM 0 HB VAL A 25 2.917 -1.967 4.063 1.00 54.43 H new ATOM 0 HG11 VAL A 25 0.956 -0.444 4.178 1.00 51.55 H new ATOM 0 HG12 VAL A 25 2.385 0.243 4.986 1.00 51.55 H new ATOM 0 HG13 VAL A 25 1.908 0.827 3.374 1.00 51.55 H new ATOM 0 HG21 VAL A 25 1.200 -1.992 2.242 1.00 24.32 H new ATOM 0 HG22 VAL A 25 2.177 -0.824 1.321 1.00 24.32 H new ATOM 0 HG23 VAL A 25 2.810 -2.456 1.643 1.00 24.32 H new ATOM 401 N LEU A 26 5.475 -0.869 5.311 1.00 33.33 N ATOM 402 CA LEU A 26 6.030 -0.426 6.626 1.00 61.42 C ATOM 403 C LEU A 26 7.572 -0.255 6.547 1.00 73.44 C ATOM 404 O LEU A 26 8.079 0.874 6.598 1.00 20.33 O ATOM 405 CB LEU A 26 5.632 -1.396 7.793 1.00 32.24 C ATOM 406 CG LEU A 26 4.130 -1.360 8.268 1.00 23.34 C ATOM 407 CD1 LEU A 26 3.164 -1.974 7.235 1.00 43.43 C ATOM 408 CD2 LEU A 26 3.963 -2.027 9.655 1.00 15.21 C ATOM 0 H LEU A 26 5.554 -1.873 5.148 1.00 33.33 H new ATOM 0 HA LEU A 26 5.587 0.544 6.851 1.00 61.42 H new ATOM 0 HB2 LEU A 26 5.865 -2.414 7.482 1.00 32.24 H new ATOM 0 HB3 LEU A 26 6.265 -1.172 8.652 1.00 32.24 H new ATOM 0 HG LEU A 26 3.860 -0.308 8.361 1.00 23.34 H new ATOM 0 HD11 LEU A 26 2.144 -1.922 7.615 1.00 43.43 H new ATOM 0 HD12 LEU A 26 3.231 -1.419 6.299 1.00 43.43 H new ATOM 0 HD13 LEU A 26 3.433 -3.016 7.059 1.00 43.43 H new ATOM 0 HD21 LEU A 26 2.916 -1.986 9.955 1.00 15.21 H new ATOM 0 HD22 LEU A 26 4.284 -3.067 9.600 1.00 15.21 H new ATOM 0 HD23 LEU A 26 4.571 -1.498 10.389 1.00 15.21 H new ATOM 420 N GLY A 27 8.314 -1.386 6.444 1.00 41.43 N ATOM 421 CA GLY A 27 9.791 -1.351 6.321 1.00 44.13 C ATOM 422 C GLY A 27 10.513 -2.479 7.086 1.00 1.45 C ATOM 423 O GLY A 27 10.661 -3.594 6.573 1.00 11.44 O ATOM 0 H GLY A 27 7.917 -2.325 6.444 1.00 41.43 H new ATOM 0 HA2 GLY A 27 10.059 -1.413 5.266 1.00 44.13 H new ATOM 0 HA3 GLY A 27 10.153 -0.390 6.686 1.00 44.13 H new ATOM 427 N ASN A 28 10.963 -2.170 8.321 1.00 3.54 N ATOM 428 CA ASN A 28 11.816 -3.067 9.150 1.00 31.31 C ATOM 429 C ASN A 28 11.018 -4.275 9.700 1.00 23.52 C ATOM 430 O ASN A 28 10.470 -4.207 10.813 1.00 33.44 O ATOM 431 CB ASN A 28 12.446 -2.259 10.325 1.00 20.43 C ATOM 432 CG ASN A 28 13.489 -3.061 11.125 1.00 12.42 C ATOM 433 OD1 ASN A 28 14.680 -3.014 10.840 1.00 21.12 O ATOM 434 ND2 ASN A 28 13.051 -3.815 12.119 1.00 71.23 N ATOM 0 H ASN A 28 10.746 -1.285 8.780 1.00 3.54 H new ATOM 0 HA ASN A 28 12.607 -3.461 8.511 1.00 31.31 H new ATOM 0 HB2 ASN A 28 12.916 -1.360 9.927 1.00 20.43 H new ATOM 0 HB3 ASN A 28 11.654 -1.933 10.999 1.00 20.43 H new ATOM 0 HD21 ASN A 28 13.709 -4.372 12.665 1.00 71.23 H new ATOM 0 HD22 ASN A 28 12.056 -3.840 12.340 1.00 71.23 H new ATOM 441 N ASP A 29 10.891 -5.338 8.866 1.00 71.50 N ATOM 442 CA ASP A 29 10.263 -6.645 9.237 1.00 64.22 C ATOM 443 C ASP A 29 8.799 -6.540 9.761 1.00 72.32 C ATOM 444 O ASP A 29 8.233 -7.539 10.218 1.00 31.54 O ATOM 445 CB ASP A 29 11.177 -7.390 10.244 1.00 64.52 C ATOM 446 CG ASP A 29 12.563 -7.675 9.646 1.00 72.40 C ATOM 447 OD1 ASP A 29 13.436 -6.776 9.669 1.00 54.10 O ATOM 448 OD2 ASP A 29 12.777 -8.779 9.103 1.00 31.31 O ATOM 0 H ASP A 29 11.225 -5.318 7.902 1.00 71.50 H new ATOM 0 HA ASP A 29 10.176 -7.220 8.315 1.00 64.22 H new ATOM 0 HB2 ASP A 29 11.286 -6.792 11.148 1.00 64.52 H new ATOM 0 HB3 ASP A 29 10.707 -8.329 10.538 1.00 64.52 H new ATOM 453 N TYR A 30 8.214 -5.331 9.646 1.00 51.32 N ATOM 454 CA TYR A 30 6.820 -4.969 10.015 1.00 2.14 C ATOM 455 C TYR A 30 6.333 -5.415 11.433 1.00 71.31 C ATOM 456 O TYR A 30 7.065 -6.020 12.225 1.00 63.23 O ATOM 457 CB TYR A 30 5.837 -5.405 8.885 1.00 53.41 C ATOM 458 CG TYR A 30 5.220 -6.822 8.978 1.00 41.24 C ATOM 459 CD1 TYR A 30 5.829 -7.950 8.410 1.00 72.35 C ATOM 460 CD2 TYR A 30 3.968 -7.007 9.557 1.00 44.55 C ATOM 461 CE1 TYR A 30 5.208 -9.188 8.448 1.00 60.43 C ATOM 462 CE2 TYR A 30 3.353 -8.230 9.575 1.00 50.22 C ATOM 463 CZ TYR A 30 3.968 -9.314 9.025 1.00 21.44 C ATOM 464 OH TYR A 30 3.327 -10.529 9.029 1.00 15.41 O ATOM 0 H TYR A 30 8.726 -4.532 9.273 1.00 51.32 H new ATOM 0 HA TYR A 30 6.825 -3.883 10.104 1.00 2.14 H new ATOM 0 HB2 TYR A 30 5.020 -4.684 8.854 1.00 53.41 H new ATOM 0 HB3 TYR A 30 6.364 -5.330 7.934 1.00 53.41 H new ATOM 0 HD1 TYR A 30 6.795 -7.853 7.937 1.00 72.35 H new ATOM 0 HD2 TYR A 30 3.467 -6.161 10.005 1.00 44.55 H new ATOM 0 HE1 TYR A 30 5.698 -10.052 8.025 1.00 60.43 H new ATOM 0 HE2 TYR A 30 2.378 -8.336 10.026 1.00 50.22 H new ATOM 0 HH TYR A 30 3.594 -11.042 8.238 1.00 15.41 H new ATOM 474 N VAL A 31 5.068 -5.064 11.734 1.00 72.41 N ATOM 475 CA VAL A 31 4.383 -5.421 12.999 1.00 33.13 C ATOM 476 C VAL A 31 3.722 -6.831 12.906 1.00 14.11 C ATOM 477 O VAL A 31 2.543 -6.970 12.551 1.00 63.52 O ATOM 478 CB VAL A 31 3.302 -4.332 13.359 1.00 3.14 C ATOM 479 CG1 VAL A 31 2.564 -4.681 14.675 1.00 63.42 C ATOM 480 CG2 VAL A 31 3.935 -2.915 13.414 1.00 64.35 C ATOM 0 H VAL A 31 4.483 -4.518 11.101 1.00 72.41 H new ATOM 0 HA VAL A 31 5.132 -5.453 13.791 1.00 33.13 H new ATOM 0 HB VAL A 31 2.556 -4.327 12.565 1.00 3.14 H new ATOM 0 HG11 VAL A 31 1.826 -3.910 14.894 1.00 63.42 H new ATOM 0 HG12 VAL A 31 2.063 -5.643 14.567 1.00 63.42 H new ATOM 0 HG13 VAL A 31 3.284 -4.737 15.492 1.00 63.42 H new ATOM 0 HG21 VAL A 31 3.167 -2.183 13.664 1.00 64.35 H new ATOM 0 HG22 VAL A 31 4.717 -2.895 14.173 1.00 64.35 H new ATOM 0 HG23 VAL A 31 4.366 -2.671 12.443 1.00 64.35 H new ATOM 490 N MET A 32 4.521 -7.881 13.152 1.00 64.42 N ATOM 491 CA MET A 32 4.013 -9.273 13.280 1.00 0.12 C ATOM 492 C MET A 32 3.759 -9.592 14.789 1.00 24.24 C ATOM 493 O MET A 32 4.104 -8.773 15.653 1.00 0.55 O ATOM 494 CB MET A 32 5.025 -10.271 12.608 1.00 72.01 C ATOM 495 CG MET A 32 4.536 -11.729 12.512 1.00 2.31 C ATOM 496 SD MET A 32 5.700 -12.869 11.711 1.00 61.35 S ATOM 497 CE MET A 32 5.248 -12.769 9.974 1.00 61.15 C ATOM 0 H MET A 32 5.531 -7.800 13.268 1.00 64.42 H new ATOM 0 HA MET A 32 3.063 -9.385 12.758 1.00 0.12 H new ATOM 0 HB2 MET A 32 5.252 -9.913 11.604 1.00 72.01 H new ATOM 0 HB3 MET A 32 5.958 -10.253 13.171 1.00 72.01 H new ATOM 0 HG2 MET A 32 4.325 -12.094 13.517 1.00 2.31 H new ATOM 0 HG3 MET A 32 3.595 -11.747 11.962 1.00 2.31 H new ATOM 0 HE1 MET A 32 5.754 -13.560 9.420 1.00 61.15 H new ATOM 0 HE2 MET A 32 4.169 -12.887 9.871 1.00 61.15 H new ATOM 0 HE3 MET A 32 5.547 -11.799 9.576 1.00 61.15 H new ATOM 507 N SER A 33 3.123 -10.751 15.082 1.00 51.25 N ATOM 508 CA SER A 33 2.754 -11.197 16.464 1.00 44.35 C ATOM 509 C SER A 33 1.555 -10.388 17.015 1.00 41.23 C ATOM 510 O SER A 33 1.560 -9.922 18.162 1.00 20.32 O ATOM 511 CB SER A 33 3.968 -11.177 17.447 1.00 23.02 C ATOM 512 OG SER A 33 5.039 -11.986 16.979 1.00 2.11 O ATOM 0 H SER A 33 2.844 -11.417 14.362 1.00 51.25 H new ATOM 0 HA SER A 33 2.443 -12.239 16.385 1.00 44.35 H new ATOM 0 HB2 SER A 33 4.316 -10.152 17.575 1.00 23.02 H new ATOM 0 HB3 SER A 33 3.648 -11.529 18.427 1.00 23.02 H new ATOM 0 HG SER A 33 5.781 -11.948 17.618 1.00 2.11 H new ATOM 518 N THR A 34 0.517 -10.249 16.165 1.00 11.44 N ATOM 519 CA THR A 34 -0.741 -9.524 16.482 1.00 13.45 C ATOM 520 C THR A 34 -1.846 -9.881 15.442 1.00 70.14 C ATOM 521 O THR A 34 -1.624 -10.729 14.565 1.00 14.20 O ATOM 522 CB THR A 34 -0.507 -7.962 16.562 1.00 74.44 C ATOM 523 OG1 THR A 34 -1.715 -7.272 16.928 1.00 23.31 O ATOM 524 CG2 THR A 34 0.028 -7.379 15.241 1.00 61.14 C ATOM 0 H THR A 34 0.525 -10.642 15.224 1.00 11.44 H new ATOM 0 HA THR A 34 -1.080 -9.845 17.467 1.00 13.45 H new ATOM 0 HB THR A 34 0.248 -7.809 17.333 1.00 74.44 H new ATOM 0 HG1 THR A 34 -1.541 -6.309 16.972 1.00 23.31 H new ATOM 0 HG21 THR A 34 0.171 -6.304 15.349 1.00 61.14 H new ATOM 0 HG22 THR A 34 0.980 -7.849 14.995 1.00 61.14 H new ATOM 0 HG23 THR A 34 -0.688 -7.571 14.442 1.00 61.14 H new ATOM 532 N GLU A 35 -3.037 -9.258 15.568 1.00 72.43 N ATOM 533 CA GLU A 35 -4.183 -9.472 14.642 1.00 23.44 C ATOM 534 C GLU A 35 -3.813 -9.062 13.184 1.00 5.15 C ATOM 535 O GLU A 35 -4.144 -9.773 12.235 1.00 53.53 O ATOM 536 CB GLU A 35 -5.430 -8.684 15.183 1.00 13.10 C ATOM 537 CG GLU A 35 -6.822 -9.113 14.625 1.00 11.41 C ATOM 538 CD GLU A 35 -7.167 -8.556 13.224 1.00 42.23 C ATOM 539 OE1 GLU A 35 -7.547 -7.370 13.121 1.00 22.10 O ATOM 540 OE2 GLU A 35 -7.062 -9.297 12.224 1.00 54.54 O ATOM 0 H GLU A 35 -3.237 -8.591 16.313 1.00 72.43 H new ATOM 0 HA GLU A 35 -4.432 -10.533 14.606 1.00 23.44 H new ATOM 0 HB2 GLU A 35 -5.452 -8.784 16.268 1.00 13.10 H new ATOM 0 HB3 GLU A 35 -5.286 -7.626 14.964 1.00 13.10 H new ATOM 0 HG2 GLU A 35 -6.861 -10.202 14.586 1.00 11.41 H new ATOM 0 HG3 GLU A 35 -7.592 -8.792 15.326 1.00 11.41 H new ATOM 547 N ARG A 36 -3.082 -7.934 13.052 1.00 44.31 N ATOM 548 CA ARG A 36 -2.618 -7.365 11.755 1.00 22.05 C ATOM 549 C ARG A 36 -3.804 -7.103 10.772 1.00 4.21 C ATOM 550 O ARG A 36 -4.416 -6.029 10.797 1.00 50.31 O ATOM 551 CB ARG A 36 -1.519 -8.248 11.068 1.00 1.31 C ATOM 552 CG ARG A 36 -0.413 -8.780 12.000 1.00 25.14 C ATOM 553 CD ARG A 36 0.610 -9.668 11.268 1.00 74.45 C ATOM 554 NE ARG A 36 -0.016 -10.781 10.528 1.00 1.10 N ATOM 555 CZ ARG A 36 0.535 -11.944 10.261 1.00 54.13 C ATOM 556 NH1 ARG A 36 1.731 -12.227 10.652 1.00 23.41 N ATOM 557 NH2 ARG A 36 -0.138 -12.820 9.590 1.00 23.40 N ATOM 0 H ARG A 36 -2.789 -7.378 13.856 1.00 44.31 H new ATOM 0 HA ARG A 36 -2.162 -6.405 11.998 1.00 22.05 H new ATOM 0 HB2 ARG A 36 -2.007 -9.098 10.591 1.00 1.31 H new ATOM 0 HB3 ARG A 36 -1.051 -7.663 10.276 1.00 1.31 H new ATOM 0 HG2 ARG A 36 0.106 -7.938 12.458 1.00 25.14 H new ATOM 0 HG3 ARG A 36 -0.869 -9.351 12.809 1.00 25.14 H new ATOM 0 HD2 ARG A 36 1.184 -9.055 10.573 1.00 74.45 H new ATOM 0 HD3 ARG A 36 1.316 -10.073 11.993 1.00 74.45 H new ATOM 0 HE ARG A 36 -0.968 -10.633 10.192 1.00 1.10 H new ATOM 0 HH11 ARG A 36 2.270 -11.541 11.181 1.00 23.41 H new ATOM 0 HH12 ARG A 36 2.137 -13.136 10.433 1.00 23.41 H new ATOM 0 HH21 ARG A 36 -1.084 -12.604 9.275 1.00 23.40 H new ATOM 0 HH22 ARG A 36 0.277 -13.727 9.375 1.00 23.40 H new ATOM 571 N LEU A 37 -4.138 -8.127 9.951 1.00 35.20 N ATOM 572 CA LEU A 37 -5.188 -8.071 8.905 1.00 2.24 C ATOM 573 C LEU A 37 -5.714 -9.499 8.627 1.00 42.23 C ATOM 574 O LEU A 37 -5.958 -9.832 7.474 1.00 52.22 O ATOM 575 CB LEU A 37 -4.621 -7.474 7.573 1.00 21.00 C ATOM 576 CG LEU A 37 -4.367 -5.944 7.511 1.00 50.24 C ATOM 577 CD1 LEU A 37 -3.700 -5.578 6.183 1.00 52.52 C ATOM 578 CD2 LEU A 37 -5.670 -5.146 7.714 1.00 11.03 C ATOM 0 H LEU A 37 -3.675 -9.035 9.998 1.00 35.20 H new ATOM 0 HA LEU A 37 -5.994 -7.431 9.264 1.00 2.24 H new ATOM 0 HB2 LEU A 37 -3.679 -7.978 7.355 1.00 21.00 H new ATOM 0 HB3 LEU A 37 -5.313 -7.731 6.771 1.00 21.00 H new ATOM 0 HG LEU A 37 -3.695 -5.676 8.327 1.00 50.24 H new ATOM 0 HD11 LEU A 37 -3.525 -4.503 6.148 1.00 52.52 H new ATOM 0 HD12 LEU A 37 -2.749 -6.103 6.097 1.00 52.52 H new ATOM 0 HD13 LEU A 37 -4.350 -5.867 5.357 1.00 52.52 H new ATOM 0 HD21 LEU A 37 -5.454 -4.079 7.664 1.00 11.03 H new ATOM 0 HD22 LEU A 37 -6.383 -5.409 6.933 1.00 11.03 H new ATOM 0 HD23 LEU A 37 -6.095 -5.385 8.689 1.00 11.03 H new ATOM 590 N THR A 38 -5.940 -10.309 9.681 1.00 50.51 N ATOM 591 CA THR A 38 -6.237 -11.774 9.547 1.00 0.44 C ATOM 592 C THR A 38 -7.360 -12.086 8.510 1.00 54.32 C ATOM 593 O THR A 38 -7.307 -13.108 7.819 1.00 1.54 O ATOM 594 CB THR A 38 -6.630 -12.422 10.922 1.00 41.53 C ATOM 595 OG1 THR A 38 -5.695 -12.037 11.947 1.00 25.41 O ATOM 596 CG2 THR A 38 -6.674 -13.961 10.852 1.00 45.35 C ATOM 0 H THR A 38 -5.925 -9.982 10.647 1.00 50.51 H new ATOM 0 HA THR A 38 -5.307 -12.212 9.185 1.00 0.44 H new ATOM 0 HB THR A 38 -7.629 -12.057 11.162 1.00 41.53 H new ATOM 0 HG1 THR A 38 -5.839 -11.097 12.185 1.00 25.41 H new ATOM 0 HG21 THR A 38 -6.950 -14.362 11.827 1.00 45.35 H new ATOM 0 HG22 THR A 38 -7.410 -14.271 10.110 1.00 45.35 H new ATOM 0 HG23 THR A 38 -5.692 -14.341 10.569 1.00 45.35 H new ATOM 604 N SER A 39 -8.349 -11.172 8.389 1.00 4.15 N ATOM 605 CA SER A 39 -9.417 -11.270 7.360 1.00 53.32 C ATOM 606 C SER A 39 -8.843 -11.118 5.927 1.00 74.10 C ATOM 607 O SER A 39 -9.045 -11.988 5.083 1.00 13.11 O ATOM 608 CB SER A 39 -10.496 -10.190 7.601 1.00 13.35 C ATOM 609 OG SER A 39 -11.524 -10.251 6.623 1.00 20.53 O ATOM 0 H SER A 39 -8.432 -10.354 8.992 1.00 4.15 H new ATOM 0 HA SER A 39 -9.865 -12.260 7.447 1.00 53.32 H new ATOM 0 HB2 SER A 39 -10.928 -10.322 8.593 1.00 13.35 H new ATOM 0 HB3 SER A 39 -10.034 -9.203 7.583 1.00 13.35 H new ATOM 0 HG SER A 39 -12.191 -9.556 6.805 1.00 20.53 H new ATOM 615 N ALA A 40 -8.077 -10.029 5.693 1.00 74.41 N ATOM 616 CA ALA A 40 -7.472 -9.712 4.365 1.00 5.44 C ATOM 617 C ALA A 40 -6.383 -10.742 3.955 1.00 31.42 C ATOM 618 O ALA A 40 -6.280 -11.122 2.789 1.00 61.12 O ATOM 619 CB ALA A 40 -6.880 -8.289 4.374 1.00 2.20 C ATOM 0 H ALA A 40 -7.857 -9.342 6.414 1.00 74.41 H new ATOM 0 HA ALA A 40 -8.270 -9.769 3.624 1.00 5.44 H new ATOM 0 HB1 ALA A 40 -6.442 -8.071 3.400 1.00 2.20 H new ATOM 0 HB2 ALA A 40 -7.669 -7.568 4.587 1.00 2.20 H new ATOM 0 HB3 ALA A 40 -6.109 -8.220 5.142 1.00 2.20 H new ATOM 625 N GLU A 41 -5.562 -11.153 4.935 1.00 41.21 N ATOM 626 CA GLU A 41 -4.535 -12.215 4.783 1.00 12.43 C ATOM 627 C GLU A 41 -5.184 -13.583 4.454 1.00 54.24 C ATOM 628 O GLU A 41 -4.618 -14.384 3.697 1.00 14.33 O ATOM 629 CB GLU A 41 -3.689 -12.299 6.087 1.00 75.21 C ATOM 630 CG GLU A 41 -3.033 -10.958 6.480 1.00 61.23 C ATOM 631 CD GLU A 41 -2.297 -10.970 7.834 1.00 61.42 C ATOM 632 OE1 GLU A 41 -2.839 -11.509 8.826 1.00 13.24 O ATOM 633 OE2 GLU A 41 -1.192 -10.406 7.930 1.00 53.21 O ATOM 0 H GLU A 41 -5.588 -10.755 5.874 1.00 41.21 H new ATOM 0 HA GLU A 41 -3.884 -11.960 3.947 1.00 12.43 H new ATOM 0 HB2 GLU A 41 -4.327 -12.636 6.904 1.00 75.21 H new ATOM 0 HB3 GLU A 41 -2.911 -13.052 5.959 1.00 75.21 H new ATOM 0 HG2 GLU A 41 -2.326 -10.674 5.701 1.00 61.23 H new ATOM 0 HG3 GLU A 41 -3.803 -10.187 6.508 1.00 61.23 H new ATOM 640 N SER A 42 -6.389 -13.832 5.022 1.00 10.35 N ATOM 641 CA SER A 42 -7.195 -15.037 4.700 1.00 3.20 C ATOM 642 C SER A 42 -7.786 -14.952 3.273 1.00 55.31 C ATOM 643 O SER A 42 -7.911 -15.966 2.583 1.00 53.41 O ATOM 644 CB SER A 42 -8.332 -15.261 5.725 1.00 45.32 C ATOM 645 OG SER A 42 -9.018 -16.481 5.470 1.00 31.12 O ATOM 0 H SER A 42 -6.825 -13.214 5.706 1.00 10.35 H new ATOM 0 HA SER A 42 -6.517 -15.889 4.751 1.00 3.20 H new ATOM 0 HB2 SER A 42 -7.919 -15.276 6.734 1.00 45.32 H new ATOM 0 HB3 SER A 42 -9.035 -14.429 5.681 1.00 45.32 H new ATOM 0 HG SER A 42 -9.731 -16.600 6.132 1.00 31.12 H new ATOM 651 N LEU A 43 -8.140 -13.726 2.839 1.00 70.15 N ATOM 652 CA LEU A 43 -8.634 -13.461 1.465 1.00 42.03 C ATOM 653 C LEU A 43 -7.496 -13.576 0.418 1.00 51.23 C ATOM 654 O LEU A 43 -7.745 -13.925 -0.732 1.00 32.40 O ATOM 655 CB LEU A 43 -9.297 -12.054 1.396 1.00 0.01 C ATOM 656 CG LEU A 43 -10.555 -11.841 2.302 1.00 45.31 C ATOM 657 CD1 LEU A 43 -11.051 -10.376 2.256 1.00 70.30 C ATOM 658 CD2 LEU A 43 -11.685 -12.833 1.943 1.00 62.32 C ATOM 0 H LEU A 43 -8.093 -12.892 3.425 1.00 70.15 H new ATOM 0 HA LEU A 43 -9.380 -14.219 1.225 1.00 42.03 H new ATOM 0 HB2 LEU A 43 -8.549 -11.309 1.667 1.00 0.01 H new ATOM 0 HB3 LEU A 43 -9.582 -11.859 0.362 1.00 0.01 H new ATOM 0 HG LEU A 43 -10.253 -12.047 3.329 1.00 45.31 H new ATOM 0 HD11 LEU A 43 -11.926 -10.268 2.897 1.00 70.30 H new ATOM 0 HD12 LEU A 43 -10.260 -9.713 2.606 1.00 70.30 H new ATOM 0 HD13 LEU A 43 -11.317 -10.114 1.232 1.00 70.30 H new ATOM 0 HD21 LEU A 43 -12.543 -12.657 2.592 1.00 62.32 H new ATOM 0 HD22 LEU A 43 -11.980 -12.688 0.904 1.00 62.32 H new ATOM 0 HD23 LEU A 43 -11.330 -13.854 2.080 1.00 62.32 H new ATOM 670 N LEU A 44 -6.247 -13.271 0.823 1.00 31.33 N ATOM 671 CA LEU A 44 -5.061 -13.401 -0.058 1.00 12.32 C ATOM 672 C LEU A 44 -4.722 -14.894 -0.298 1.00 52.14 C ATOM 673 O LEU A 44 -4.579 -15.334 -1.447 1.00 50.12 O ATOM 674 CB LEU A 44 -3.833 -12.659 0.540 1.00 1.44 C ATOM 675 CG LEU A 44 -2.542 -12.654 -0.351 1.00 63.12 C ATOM 676 CD1 LEU A 44 -2.779 -11.919 -1.695 1.00 22.31 C ATOM 677 CD2 LEU A 44 -1.330 -12.070 0.414 1.00 53.24 C ATOM 0 H LEU A 44 -6.029 -12.931 1.760 1.00 31.33 H new ATOM 0 HA LEU A 44 -5.304 -12.938 -1.015 1.00 12.32 H new ATOM 0 HB2 LEU A 44 -4.118 -11.626 0.741 1.00 1.44 H new ATOM 0 HB3 LEU A 44 -3.588 -13.114 1.500 1.00 1.44 H new ATOM 0 HG LEU A 44 -2.306 -13.691 -0.590 1.00 63.12 H new ATOM 0 HD11 LEU A 44 -1.863 -11.936 -2.285 1.00 22.31 H new ATOM 0 HD12 LEU A 44 -3.576 -12.418 -2.247 1.00 22.31 H new ATOM 0 HD13 LEU A 44 -3.065 -10.886 -1.499 1.00 22.31 H new ATOM 0 HD21 LEU A 44 -0.452 -12.081 -0.232 1.00 53.24 H new ATOM 0 HD22 LEU A 44 -1.548 -11.045 0.712 1.00 53.24 H new ATOM 0 HD23 LEU A 44 -1.135 -12.672 1.301 1.00 53.24 H new ATOM 689 N ARG A 45 -4.619 -15.668 0.808 1.00 52.33 N ATOM 690 CA ARG A 45 -4.352 -17.131 0.743 1.00 62.25 C ATOM 691 C ARG A 45 -5.559 -17.911 0.169 1.00 44.34 C ATOM 692 O ARG A 45 -5.394 -19.000 -0.378 1.00 1.40 O ATOM 693 CB ARG A 45 -3.949 -17.696 2.140 1.00 11.23 C ATOM 694 CG ARG A 45 -5.066 -17.650 3.203 1.00 74.32 C ATOM 695 CD ARG A 45 -4.621 -18.168 4.579 1.00 52.33 C ATOM 696 NE ARG A 45 -5.704 -18.063 5.577 1.00 13.54 N ATOM 697 CZ ARG A 45 -5.539 -18.078 6.882 1.00 1.42 C ATOM 698 NH1 ARG A 45 -4.354 -18.161 7.411 1.00 11.31 N ATOM 699 NH2 ARG A 45 -6.569 -17.990 7.656 1.00 64.23 N ATOM 0 H ARG A 45 -4.716 -15.307 1.757 1.00 52.33 H new ATOM 0 HA ARG A 45 -3.512 -17.271 0.062 1.00 62.25 H new ATOM 0 HB2 ARG A 45 -3.625 -18.730 2.019 1.00 11.23 H new ATOM 0 HB3 ARG A 45 -3.091 -17.134 2.510 1.00 11.23 H new ATOM 0 HG2 ARG A 45 -5.417 -16.623 3.306 1.00 74.32 H new ATOM 0 HG3 ARG A 45 -5.912 -18.243 2.856 1.00 74.32 H new ATOM 0 HD2 ARG A 45 -4.305 -19.208 4.492 1.00 52.33 H new ATOM 0 HD3 ARG A 45 -3.756 -17.600 4.920 1.00 52.33 H new ATOM 0 HE ARG A 45 -6.657 -17.971 5.226 1.00 13.54 H new ATOM 0 HH11 ARG A 45 -3.531 -18.216 6.812 1.00 11.31 H new ATOM 0 HH12 ARG A 45 -4.248 -18.171 8.425 1.00 11.31 H new ATOM 0 HH21 ARG A 45 -7.503 -17.910 7.255 1.00 64.23 H new ATOM 0 HH22 ARG A 45 -6.448 -18.001 8.669 1.00 64.23 H new ATOM 713 N GLY A 46 -6.769 -17.336 0.317 1.00 3.43 N ATOM 714 CA GLY A 46 -7.998 -17.910 -0.247 1.00 72.42 C ATOM 715 C GLY A 46 -8.211 -17.570 -1.724 1.00 73.12 C ATOM 716 O GLY A 46 -9.110 -18.120 -2.361 1.00 71.25 O ATOM 0 H GLY A 46 -6.917 -16.466 0.828 1.00 3.43 H new ATOM 0 HA2 GLY A 46 -7.969 -18.994 -0.133 1.00 72.42 H new ATOM 0 HA3 GLY A 46 -8.853 -17.552 0.327 1.00 72.42 H new ATOM 720 N GLY A 47 -7.378 -16.652 -2.267 1.00 32.43 N ATOM 721 CA GLY A 47 -7.475 -16.220 -3.675 1.00 13.25 C ATOM 722 C GLY A 47 -8.612 -15.244 -3.964 1.00 31.02 C ATOM 723 O GLY A 47 -8.903 -14.946 -5.122 1.00 70.32 O ATOM 0 H GLY A 47 -6.629 -16.196 -1.746 1.00 32.43 H new ATOM 0 HA2 GLY A 47 -6.533 -15.755 -3.964 1.00 13.25 H new ATOM 0 HA3 GLY A 47 -7.602 -17.101 -4.304 1.00 13.25 H new ATOM 727 N GLU A 48 -9.237 -14.737 -2.899 1.00 43.22 N ATOM 728 CA GLU A 48 -10.404 -13.844 -2.988 1.00 61.04 C ATOM 729 C GLU A 48 -9.997 -12.401 -3.377 1.00 33.53 C ATOM 730 O GLU A 48 -10.783 -11.680 -3.992 1.00 72.11 O ATOM 731 CB GLU A 48 -11.164 -13.867 -1.643 1.00 62.13 C ATOM 732 CG GLU A 48 -11.562 -15.281 -1.156 1.00 74.13 C ATOM 733 CD GLU A 48 -12.526 -16.017 -2.111 1.00 73.01 C ATOM 734 OE1 GLU A 48 -13.750 -15.772 -2.035 1.00 21.30 O ATOM 735 OE2 GLU A 48 -12.068 -16.832 -2.949 1.00 65.10 O ATOM 0 H GLU A 48 -8.948 -14.934 -1.941 1.00 43.22 H new ATOM 0 HA GLU A 48 -11.060 -14.205 -3.780 1.00 61.04 H new ATOM 0 HB2 GLU A 48 -10.543 -13.395 -0.881 1.00 62.13 H new ATOM 0 HB3 GLU A 48 -12.066 -13.262 -1.739 1.00 62.13 H new ATOM 0 HG2 GLU A 48 -10.660 -15.880 -1.032 1.00 74.13 H new ATOM 0 HG3 GLU A 48 -12.029 -15.200 -0.174 1.00 74.13 H new ATOM 742 N ILE A 49 -8.764 -11.984 -3.000 1.00 64.15 N ATOM 743 CA ILE A 49 -8.170 -10.684 -3.414 1.00 22.44 C ATOM 744 C ILE A 49 -6.787 -10.912 -4.083 1.00 0.10 C ATOM 745 O ILE A 49 -6.153 -11.962 -3.883 1.00 10.24 O ATOM 746 CB ILE A 49 -7.999 -9.681 -2.195 1.00 73.40 C ATOM 747 CG1 ILE A 49 -6.936 -10.200 -1.164 1.00 23.33 C ATOM 748 CG2 ILE A 49 -9.360 -9.402 -1.501 1.00 75.05 C ATOM 749 CD1 ILE A 49 -6.666 -9.271 0.011 1.00 54.32 C ATOM 0 H ILE A 49 -8.151 -12.537 -2.401 1.00 64.15 H new ATOM 0 HA ILE A 49 -8.863 -10.234 -4.125 1.00 22.44 H new ATOM 0 HB ILE A 49 -7.630 -8.739 -2.600 1.00 73.40 H new ATOM 0 HG12 ILE A 49 -7.269 -11.163 -0.776 1.00 23.33 H new ATOM 0 HG13 ILE A 49 -5.998 -10.376 -1.691 1.00 23.33 H new ATOM 0 HG21 ILE A 49 -9.210 -8.712 -0.671 1.00 75.05 H new ATOM 0 HG22 ILE A 49 -10.051 -8.961 -2.219 1.00 75.05 H new ATOM 0 HG23 ILE A 49 -9.775 -10.337 -1.125 1.00 75.05 H new ATOM 0 HD11 ILE A 49 -5.918 -9.719 0.665 1.00 54.32 H new ATOM 0 HD12 ILE A 49 -6.298 -8.314 -0.359 1.00 54.32 H new ATOM 0 HD13 ILE A 49 -7.589 -9.113 0.570 1.00 54.32 H new ATOM 761 N SER A 50 -6.337 -9.928 -4.887 1.00 71.23 N ATOM 762 CA SER A 50 -4.974 -9.923 -5.482 1.00 33.13 C ATOM 763 C SER A 50 -3.950 -9.242 -4.542 1.00 70.12 C ATOM 764 O SER A 50 -4.323 -8.619 -3.542 1.00 14.35 O ATOM 765 CB SER A 50 -4.986 -9.224 -6.865 1.00 3.15 C ATOM 766 OG SER A 50 -5.804 -9.919 -7.794 1.00 71.55 O ATOM 0 H SER A 50 -6.899 -9.117 -5.144 1.00 71.23 H new ATOM 0 HA SER A 50 -4.667 -10.960 -5.616 1.00 33.13 H new ATOM 0 HB2 SER A 50 -5.348 -8.202 -6.754 1.00 3.15 H new ATOM 0 HB3 SER A 50 -3.968 -9.161 -7.251 1.00 3.15 H new ATOM 0 HG SER A 50 -5.791 -9.451 -8.655 1.00 71.55 H new ATOM 772 N VAL A 51 -2.655 -9.363 -4.895 1.00 54.41 N ATOM 773 CA VAL A 51 -1.523 -8.858 -4.073 1.00 11.44 C ATOM 774 C VAL A 51 -1.522 -7.312 -3.951 1.00 44.33 C ATOM 775 O VAL A 51 -1.364 -6.778 -2.862 1.00 52.20 O ATOM 776 CB VAL A 51 -0.154 -9.332 -4.679 1.00 13.44 C ATOM 777 CG1 VAL A 51 1.056 -8.759 -3.894 1.00 31.13 C ATOM 778 CG2 VAL A 51 -0.089 -10.882 -4.756 1.00 31.45 C ATOM 0 H VAL A 51 -2.357 -9.814 -5.760 1.00 54.41 H new ATOM 0 HA VAL A 51 -1.652 -9.272 -3.073 1.00 11.44 H new ATOM 0 HB VAL A 51 -0.093 -8.938 -5.694 1.00 13.44 H new ATOM 0 HG11 VAL A 51 1.983 -9.111 -4.346 1.00 31.13 H new ATOM 0 HG12 VAL A 51 1.028 -7.670 -3.926 1.00 31.13 H new ATOM 0 HG13 VAL A 51 1.008 -9.093 -2.857 1.00 31.13 H new ATOM 0 HG21 VAL A 51 0.869 -11.185 -5.179 1.00 31.45 H new ATOM 0 HG22 VAL A 51 -0.192 -11.301 -3.755 1.00 31.45 H new ATOM 0 HG23 VAL A 51 -0.898 -11.249 -5.388 1.00 31.45 H new ATOM 788 N ARG A 52 -1.695 -6.627 -5.091 1.00 53.31 N ATOM 789 CA ARG A 52 -1.792 -5.144 -5.184 1.00 42.10 C ATOM 790 C ARG A 52 -2.943 -4.583 -4.307 1.00 20.24 C ATOM 791 O ARG A 52 -2.819 -3.540 -3.656 1.00 4.13 O ATOM 792 CB ARG A 52 -2.043 -4.781 -6.663 1.00 11.31 C ATOM 793 CG ARG A 52 -2.252 -3.281 -6.966 1.00 43.51 C ATOM 794 CD ARG A 52 -2.953 -3.045 -8.313 1.00 74.50 C ATOM 795 NE ARG A 52 -4.275 -3.709 -8.331 1.00 31.02 N ATOM 796 CZ ARG A 52 -5.365 -3.234 -8.887 1.00 42.43 C ATOM 797 NH1 ARG A 52 -5.370 -2.091 -9.495 1.00 45.14 N ATOM 798 NH2 ARG A 52 -6.459 -3.908 -8.819 1.00 34.50 N ATOM 0 H ARG A 52 -1.774 -7.088 -5.998 1.00 53.31 H new ATOM 0 HA ARG A 52 -0.865 -4.703 -4.819 1.00 42.10 H new ATOM 0 HB2 ARG A 52 -1.197 -5.136 -7.252 1.00 11.31 H new ATOM 0 HB3 ARG A 52 -2.922 -5.327 -7.006 1.00 11.31 H new ATOM 0 HG2 ARG A 52 -2.844 -2.832 -6.168 1.00 43.51 H new ATOM 0 HG3 ARG A 52 -1.286 -2.776 -6.969 1.00 43.51 H new ATOM 0 HD2 ARG A 52 -3.074 -1.975 -8.484 1.00 74.50 H new ATOM 0 HD3 ARG A 52 -2.335 -3.430 -9.124 1.00 74.50 H new ATOM 0 HE ARG A 52 -4.346 -4.616 -7.870 1.00 31.02 H new ATOM 0 HH11 ARG A 52 -4.514 -1.539 -9.550 1.00 45.14 H new ATOM 0 HH12 ARG A 52 -6.230 -1.743 -9.919 1.00 45.14 H new ATOM 0 HH21 ARG A 52 -6.476 -4.806 -8.335 1.00 34.50 H new ATOM 0 HH22 ARG A 52 -7.310 -3.544 -9.249 1.00 34.50 H new ATOM 812 N ASP A 53 -4.066 -5.301 -4.328 1.00 34.04 N ATOM 813 CA ASP A 53 -5.276 -4.971 -3.553 1.00 70.42 C ATOM 814 C ASP A 53 -5.083 -5.288 -2.048 1.00 54.40 C ATOM 815 O ASP A 53 -5.730 -4.682 -1.185 1.00 52.33 O ATOM 816 CB ASP A 53 -6.461 -5.745 -4.160 1.00 22.23 C ATOM 817 CG ASP A 53 -6.670 -5.391 -5.641 1.00 52.33 C ATOM 818 OD1 ASP A 53 -5.933 -5.922 -6.508 1.00 73.03 O ATOM 819 OD2 ASP A 53 -7.542 -4.550 -5.943 1.00 12.45 O ATOM 0 H ASP A 53 -4.168 -6.145 -4.892 1.00 34.04 H new ATOM 0 HA ASP A 53 -5.478 -3.901 -3.612 1.00 70.42 H new ATOM 0 HB2 ASP A 53 -6.284 -6.816 -4.063 1.00 22.23 H new ATOM 0 HB3 ASP A 53 -7.369 -5.520 -3.600 1.00 22.23 H new ATOM 824 N PHE A 54 -4.181 -6.244 -1.755 1.00 34.44 N ATOM 825 CA PHE A 54 -3.720 -6.528 -0.381 1.00 22.10 C ATOM 826 C PHE A 54 -2.764 -5.403 0.115 1.00 1.41 C ATOM 827 O PHE A 54 -2.808 -5.034 1.284 1.00 35.40 O ATOM 828 CB PHE A 54 -3.044 -7.929 -0.317 1.00 52.52 C ATOM 829 CG PHE A 54 -2.560 -8.345 1.074 1.00 2.24 C ATOM 830 CD1 PHE A 54 -3.470 -8.605 2.100 1.00 55.31 C ATOM 831 CD2 PHE A 54 -1.202 -8.474 1.357 1.00 21.24 C ATOM 832 CE1 PHE A 54 -3.030 -8.977 3.356 1.00 4.32 C ATOM 833 CE2 PHE A 54 -0.765 -8.847 2.612 1.00 41.23 C ATOM 834 CZ PHE A 54 -1.679 -9.099 3.612 1.00 41.25 C ATOM 0 H PHE A 54 -3.752 -6.841 -2.462 1.00 34.44 H new ATOM 0 HA PHE A 54 -4.581 -6.545 0.287 1.00 22.10 H new ATOM 0 HB2 PHE A 54 -3.752 -8.675 -0.678 1.00 52.52 H new ATOM 0 HB3 PHE A 54 -2.194 -7.938 -1.000 1.00 52.52 H new ATOM 0 HD1 PHE A 54 -4.529 -8.514 1.910 1.00 55.31 H new ATOM 0 HD2 PHE A 54 -0.478 -8.279 0.580 1.00 21.24 H new ATOM 0 HE1 PHE A 54 -3.746 -9.173 4.140 1.00 4.32 H new ATOM 0 HE2 PHE A 54 0.292 -8.941 2.810 1.00 41.23 H new ATOM 0 HZ PHE A 54 -1.339 -9.391 4.594 1.00 41.25 H new ATOM 844 N VAL A 55 -1.926 -4.850 -0.803 1.00 72.33 N ATOM 845 CA VAL A 55 -1.042 -3.677 -0.516 1.00 32.13 C ATOM 846 C VAL A 55 -1.887 -2.464 -0.059 1.00 23.51 C ATOM 847 O VAL A 55 -1.520 -1.741 0.876 1.00 32.31 O ATOM 848 CB VAL A 55 -0.176 -3.265 -1.776 1.00 2.51 C ATOM 849 CG1 VAL A 55 0.687 -2.014 -1.494 1.00 43.22 C ATOM 850 CG2 VAL A 55 0.710 -4.432 -2.274 1.00 41.14 C ATOM 0 H VAL A 55 -1.841 -5.199 -1.758 1.00 72.33 H new ATOM 0 HA VAL A 55 -0.362 -3.977 0.282 1.00 32.13 H new ATOM 0 HB VAL A 55 -0.882 -3.017 -2.569 1.00 2.51 H new ATOM 0 HG11 VAL A 55 1.266 -1.764 -2.383 1.00 43.22 H new ATOM 0 HG12 VAL A 55 0.040 -1.176 -1.235 1.00 43.22 H new ATOM 0 HG13 VAL A 55 1.365 -2.219 -0.665 1.00 43.22 H new ATOM 0 HG21 VAL A 55 1.287 -4.107 -3.139 1.00 41.14 H new ATOM 0 HG22 VAL A 55 1.389 -4.738 -1.479 1.00 41.14 H new ATOM 0 HG23 VAL A 55 0.078 -5.274 -2.555 1.00 41.14 H new ATOM 860 N ARG A 56 -3.030 -2.282 -0.741 1.00 54.33 N ATOM 861 CA ARG A 56 -4.047 -1.272 -0.395 1.00 11.44 C ATOM 862 C ARG A 56 -4.576 -1.476 1.045 1.00 72.54 C ATOM 863 O ARG A 56 -4.622 -0.530 1.829 1.00 2.55 O ATOM 864 CB ARG A 56 -5.194 -1.337 -1.438 1.00 4.11 C ATOM 865 CG ARG A 56 -6.386 -0.382 -1.194 1.00 70.32 C ATOM 866 CD ARG A 56 -7.326 -0.278 -2.422 1.00 33.52 C ATOM 867 NE ARG A 56 -7.685 -1.601 -2.998 1.00 32.14 N ATOM 868 CZ ARG A 56 -8.910 -2.039 -3.219 1.00 10.01 C ATOM 869 NH1 ARG A 56 -9.946 -1.398 -2.771 1.00 22.42 N ATOM 870 NH2 ARG A 56 -9.089 -3.153 -3.854 1.00 75.21 N ATOM 0 H ARG A 56 -3.278 -2.839 -1.559 1.00 54.33 H new ATOM 0 HA ARG A 56 -3.595 -0.280 -0.422 1.00 11.44 H new ATOM 0 HB2 ARG A 56 -4.777 -1.122 -2.422 1.00 4.11 H new ATOM 0 HB3 ARG A 56 -5.573 -2.359 -1.469 1.00 4.11 H new ATOM 0 HG2 ARG A 56 -6.956 -0.731 -0.333 1.00 70.32 H new ATOM 0 HG3 ARG A 56 -6.008 0.610 -0.945 1.00 70.32 H new ATOM 0 HD2 ARG A 56 -8.238 0.244 -2.131 1.00 33.52 H new ATOM 0 HD3 ARG A 56 -6.844 0.327 -3.190 1.00 33.52 H new ATOM 0 HE ARG A 56 -6.917 -2.225 -3.244 1.00 32.14 H new ATOM 0 HH11 ARG A 56 -9.822 -0.538 -2.237 1.00 22.42 H new ATOM 0 HH12 ARG A 56 -10.884 -1.754 -2.953 1.00 22.42 H new ATOM 0 HH21 ARG A 56 -8.285 -3.688 -4.181 1.00 75.21 H new ATOM 0 HH22 ARG A 56 -10.034 -3.495 -4.027 1.00 75.21 H new ATOM 884 N ALA A 57 -4.923 -2.735 1.382 1.00 22.33 N ATOM 885 CA ALA A 57 -5.409 -3.116 2.734 1.00 11.12 C ATOM 886 C ALA A 57 -4.351 -2.856 3.843 1.00 71.32 C ATOM 887 O ALA A 57 -4.695 -2.438 4.953 1.00 43.43 O ATOM 888 CB ALA A 57 -5.829 -4.597 2.741 1.00 60.12 C ATOM 0 H ALA A 57 -4.876 -3.518 0.730 1.00 22.33 H new ATOM 0 HA ALA A 57 -6.269 -2.485 2.958 1.00 11.12 H new ATOM 0 HB1 ALA A 57 -6.184 -4.870 3.735 1.00 60.12 H new ATOM 0 HB2 ALA A 57 -6.627 -4.752 2.015 1.00 60.12 H new ATOM 0 HB3 ALA A 57 -4.973 -5.219 2.478 1.00 60.12 H new ATOM 894 N VAL A 58 -3.065 -3.115 3.525 1.00 2.33 N ATOM 895 CA VAL A 58 -1.933 -2.938 4.477 1.00 33.03 C ATOM 896 C VAL A 58 -1.599 -1.443 4.693 1.00 64.11 C ATOM 897 O VAL A 58 -1.243 -1.023 5.798 1.00 62.25 O ATOM 898 CB VAL A 58 -0.660 -3.739 4.003 1.00 72.43 C ATOM 899 CG1 VAL A 58 0.544 -3.523 4.949 1.00 63.04 C ATOM 900 CG2 VAL A 58 -0.976 -5.251 3.879 1.00 21.21 C ATOM 0 H VAL A 58 -2.776 -3.452 2.606 1.00 2.33 H new ATOM 0 HA VAL A 58 -2.249 -3.346 5.437 1.00 33.03 H new ATOM 0 HB VAL A 58 -0.386 -3.352 3.022 1.00 72.43 H new ATOM 0 HG11 VAL A 58 1.399 -4.093 4.585 1.00 63.04 H new ATOM 0 HG12 VAL A 58 0.799 -2.464 4.977 1.00 63.04 H new ATOM 0 HG13 VAL A 58 0.284 -3.860 5.952 1.00 63.04 H new ATOM 0 HG21 VAL A 58 -0.083 -5.784 3.551 1.00 21.21 H new ATOM 0 HG22 VAL A 58 -1.293 -5.637 4.848 1.00 21.21 H new ATOM 0 HG23 VAL A 58 -1.774 -5.397 3.151 1.00 21.21 H new ATOM 910 N ALA A 59 -1.728 -0.642 3.634 1.00 51.10 N ATOM 911 CA ALA A 59 -1.601 0.827 3.725 1.00 35.55 C ATOM 912 C ALA A 59 -2.822 1.471 4.443 1.00 0.32 C ATOM 913 O ALA A 59 -2.749 2.614 4.904 1.00 53.21 O ATOM 914 CB ALA A 59 -1.391 1.407 2.328 1.00 73.10 C ATOM 0 H ALA A 59 -1.922 -0.983 2.692 1.00 51.10 H new ATOM 0 HA ALA A 59 -0.731 1.065 4.336 1.00 35.55 H new ATOM 0 HB1 ALA A 59 -1.297 2.491 2.394 1.00 73.10 H new ATOM 0 HB2 ALA A 59 -0.482 0.990 1.894 1.00 73.10 H new ATOM 0 HB3 ALA A 59 -2.243 1.155 1.697 1.00 73.10 H new ATOM 920 N LEU A 60 -3.942 0.717 4.525 1.00 32.40 N ATOM 921 CA LEU A 60 -5.142 1.104 5.303 1.00 5.11 C ATOM 922 C LEU A 60 -5.151 0.483 6.723 1.00 42.20 C ATOM 923 O LEU A 60 -6.027 0.821 7.527 1.00 61.14 O ATOM 924 CB LEU A 60 -6.431 0.692 4.534 1.00 22.44 C ATOM 925 CG LEU A 60 -6.692 1.455 3.200 1.00 4.53 C ATOM 926 CD1 LEU A 60 -7.980 0.968 2.494 1.00 10.43 C ATOM 927 CD2 LEU A 60 -6.709 2.971 3.448 1.00 55.22 C ATOM 0 H LEU A 60 -4.039 -0.181 4.051 1.00 32.40 H new ATOM 0 HA LEU A 60 -5.114 2.187 5.423 1.00 5.11 H new ATOM 0 HB2 LEU A 60 -6.378 -0.375 4.317 1.00 22.44 H new ATOM 0 HB3 LEU A 60 -7.288 0.841 5.191 1.00 22.44 H new ATOM 0 HG LEU A 60 -5.871 1.233 2.518 1.00 4.53 H new ATOM 0 HD11 LEU A 60 -8.122 1.527 1.569 1.00 10.43 H new ATOM 0 HD12 LEU A 60 -7.890 -0.094 2.266 1.00 10.43 H new ATOM 0 HD13 LEU A 60 -8.836 1.127 3.149 1.00 10.43 H new ATOM 0 HD21 LEU A 60 -6.892 3.491 2.508 1.00 55.22 H new ATOM 0 HD22 LEU A 60 -7.500 3.215 4.158 1.00 55.22 H new ATOM 0 HD23 LEU A 60 -5.747 3.284 3.855 1.00 55.22 H new ATOM 939 N SER A 61 -4.183 -0.421 7.024 1.00 62.53 N ATOM 940 CA SER A 61 -4.133 -1.140 8.332 1.00 34.04 C ATOM 941 C SER A 61 -3.900 -0.157 9.497 1.00 43.41 C ATOM 942 O SER A 61 -3.149 0.817 9.356 1.00 24.51 O ATOM 943 CB SER A 61 -3.029 -2.236 8.363 1.00 44.53 C ATOM 944 OG SER A 61 -1.726 -1.688 8.540 1.00 12.23 O ATOM 0 H SER A 61 -3.429 -0.671 6.385 1.00 62.53 H new ATOM 0 HA SER A 61 -5.102 -1.626 8.450 1.00 34.04 H new ATOM 0 HB2 SER A 61 -3.239 -2.937 9.171 1.00 44.53 H new ATOM 0 HB3 SER A 61 -3.058 -2.804 7.433 1.00 44.53 H new ATOM 0 HG SER A 61 -1.375 -1.392 7.674 1.00 12.23 H new ATOM 950 N GLU A 62 -4.531 -0.446 10.649 1.00 41.10 N ATOM 951 CA GLU A 62 -4.433 0.394 11.866 1.00 1.05 C ATOM 952 C GLU A 62 -2.999 0.379 12.459 1.00 52.54 C ATOM 953 O GLU A 62 -2.598 1.325 13.132 1.00 13.45 O ATOM 954 CB GLU A 62 -5.486 -0.046 12.924 1.00 51.12 C ATOM 955 CG GLU A 62 -5.435 -1.539 13.304 1.00 10.25 C ATOM 956 CD GLU A 62 -6.410 -1.909 14.438 1.00 52.43 C ATOM 957 OE1 GLU A 62 -7.582 -2.252 14.159 1.00 21.30 O ATOM 958 OE2 GLU A 62 -6.011 -1.843 15.620 1.00 35.41 O ATOM 0 H GLU A 62 -5.124 -1.267 10.767 1.00 41.10 H new ATOM 0 HA GLU A 62 -4.650 1.423 11.578 1.00 1.05 H new ATOM 0 HB2 GLU A 62 -5.345 0.549 13.826 1.00 51.12 H new ATOM 0 HB3 GLU A 62 -6.481 0.184 12.543 1.00 51.12 H new ATOM 0 HG2 GLU A 62 -5.666 -2.140 12.424 1.00 10.25 H new ATOM 0 HG3 GLU A 62 -4.420 -1.796 13.608 1.00 10.25 H new ATOM 965 N LEU A 63 -2.238 -0.706 12.198 1.00 34.32 N ATOM 966 CA LEU A 63 -0.828 -0.848 12.649 1.00 22.34 C ATOM 967 C LEU A 63 0.101 0.161 11.920 1.00 73.11 C ATOM 968 O LEU A 63 0.965 0.788 12.542 1.00 74.53 O ATOM 969 CB LEU A 63 -0.317 -2.312 12.442 1.00 3.40 C ATOM 970 CG LEU A 63 -1.014 -3.442 13.286 1.00 73.32 C ATOM 971 CD1 LEU A 63 -1.040 -3.095 14.790 1.00 44.33 C ATOM 972 CD2 LEU A 63 -2.423 -3.784 12.753 1.00 4.31 C ATOM 0 H LEU A 63 -2.579 -1.509 11.670 1.00 34.32 H new ATOM 0 HA LEU A 63 -0.800 -0.623 13.715 1.00 22.34 H new ATOM 0 HB2 LEU A 63 -0.426 -2.562 11.387 1.00 3.40 H new ATOM 0 HB3 LEU A 63 0.750 -2.332 12.665 1.00 3.40 H new ATOM 0 HG LEU A 63 -0.409 -4.341 13.170 1.00 73.32 H new ATOM 0 HD11 LEU A 63 -1.529 -3.899 15.340 1.00 44.33 H new ATOM 0 HD12 LEU A 63 -0.019 -2.975 15.153 1.00 44.33 H new ATOM 0 HD13 LEU A 63 -1.590 -2.166 14.940 1.00 44.33 H new ATOM 0 HD21 LEU A 63 -2.864 -4.569 13.368 1.00 4.31 H new ATOM 0 HD22 LEU A 63 -3.053 -2.895 12.793 1.00 4.31 H new ATOM 0 HD23 LEU A 63 -2.348 -4.130 11.722 1.00 4.31 H new ATOM 984 N TYR A 64 -0.108 0.322 10.599 1.00 2.34 N ATOM 985 CA TYR A 64 0.625 1.319 9.774 1.00 4.03 C ATOM 986 C TYR A 64 0.137 2.758 10.100 1.00 62.54 C ATOM 987 O TYR A 64 0.922 3.712 10.140 1.00 42.11 O ATOM 988 CB TYR A 64 0.422 0.989 8.266 1.00 55.31 C ATOM 989 CG TYR A 64 1.105 1.955 7.276 1.00 52.24 C ATOM 990 CD1 TYR A 64 2.494 2.076 7.234 1.00 2.01 C ATOM 991 CD2 TYR A 64 0.363 2.742 6.385 1.00 63.43 C ATOM 992 CE1 TYR A 64 3.117 2.938 6.351 1.00 42.13 C ATOM 993 CE2 TYR A 64 0.986 3.603 5.496 1.00 71.52 C ATOM 994 CZ TYR A 64 2.364 3.699 5.483 1.00 12.34 C ATOM 995 OH TYR A 64 2.988 4.559 4.600 1.00 24.21 O ATOM 0 H TYR A 64 -0.784 -0.229 10.070 1.00 2.34 H new ATOM 0 HA TYR A 64 1.689 1.269 10.006 1.00 4.03 H new ATOM 0 HB2 TYR A 64 0.795 -0.018 8.079 1.00 55.31 H new ATOM 0 HB3 TYR A 64 -0.647 0.977 8.056 1.00 55.31 H new ATOM 0 HD1 TYR A 64 3.096 1.483 7.906 1.00 2.01 H new ATOM 0 HD2 TYR A 64 -0.715 2.676 6.391 1.00 63.43 H new ATOM 0 HE1 TYR A 64 4.194 3.015 6.341 1.00 42.13 H new ATOM 0 HE2 TYR A 64 0.396 4.198 4.815 1.00 71.52 H new ATOM 0 HH TYR A 64 3.840 4.170 4.311 1.00 24.21 H new ATOM 1005 N ARG A 65 -1.174 2.872 10.360 1.00 55.25 N ATOM 1006 CA ARG A 65 -1.861 4.154 10.639 1.00 62.31 C ATOM 1007 C ARG A 65 -1.402 4.760 12.002 1.00 13.25 C ATOM 1008 O ARG A 65 -1.196 5.964 12.119 1.00 40.43 O ATOM 1009 CB ARG A 65 -3.403 3.896 10.589 1.00 64.14 C ATOM 1010 CG ARG A 65 -4.328 5.127 10.383 1.00 72.41 C ATOM 1011 CD ARG A 65 -4.502 6.011 11.634 1.00 21.42 C ATOM 1012 NE ARG A 65 -4.861 5.236 12.840 1.00 62.43 N ATOM 1013 CZ ARG A 65 -6.021 4.657 13.079 1.00 3.54 C ATOM 1014 NH1 ARG A 65 -6.999 4.710 12.230 1.00 12.11 N ATOM 1015 NH2 ARG A 65 -6.194 4.016 14.183 1.00 72.01 N ATOM 0 H ARG A 65 -1.801 2.068 10.384 1.00 55.25 H new ATOM 0 HA ARG A 65 -1.598 4.896 9.885 1.00 62.31 H new ATOM 0 HB2 ARG A 65 -3.600 3.188 9.784 1.00 64.14 H new ATOM 0 HB3 ARG A 65 -3.693 3.409 11.520 1.00 64.14 H new ATOM 0 HG2 ARG A 65 -3.925 5.738 9.575 1.00 72.41 H new ATOM 0 HG3 ARG A 65 -5.309 4.779 10.060 1.00 72.41 H new ATOM 0 HD2 ARG A 65 -3.576 6.555 11.820 1.00 21.42 H new ATOM 0 HD3 ARG A 65 -5.276 6.755 11.443 1.00 21.42 H new ATOM 0 HE ARG A 65 -4.142 5.140 13.557 1.00 62.43 H new ATOM 0 HH11 ARG A 65 -6.883 5.210 11.349 1.00 12.11 H new ATOM 0 HH12 ARG A 65 -7.885 4.252 12.443 1.00 12.11 H new ATOM 0 HH21 ARG A 65 -5.437 3.959 14.864 1.00 72.01 H new ATOM 0 HH22 ARG A 65 -7.088 3.565 14.376 1.00 72.01 H new ATOM 1029 N GLU A 66 -1.249 3.927 13.035 1.00 12.25 N ATOM 1030 CA GLU A 66 -0.786 4.389 14.366 1.00 71.13 C ATOM 1031 C GLU A 66 0.729 4.710 14.375 1.00 54.30 C ATOM 1032 O GLU A 66 1.140 5.800 14.788 1.00 35.13 O ATOM 1033 CB GLU A 66 -1.127 3.333 15.457 1.00 42.41 C ATOM 1034 CG GLU A 66 -2.633 3.220 15.791 1.00 15.20 C ATOM 1035 CD GLU A 66 -3.217 4.528 16.351 1.00 33.52 C ATOM 1036 OE1 GLU A 66 -2.930 4.864 17.519 1.00 10.14 O ATOM 1037 OE2 GLU A 66 -3.935 5.238 15.621 1.00 64.32 O ATOM 0 H GLU A 66 -1.437 2.926 12.985 1.00 12.25 H new ATOM 0 HA GLU A 66 -1.315 5.315 14.591 1.00 71.13 H new ATOM 0 HB2 GLU A 66 -0.767 2.359 15.127 1.00 42.41 H new ATOM 0 HB3 GLU A 66 -0.583 3.582 16.368 1.00 42.41 H new ATOM 0 HG2 GLU A 66 -3.180 2.939 14.891 1.00 15.20 H new ATOM 0 HG3 GLU A 66 -2.781 2.421 16.517 1.00 15.20 H new ATOM 1044 N LYS A 67 1.547 3.779 13.870 1.00 44.21 N ATOM 1045 CA LYS A 67 3.021 3.856 13.998 1.00 60.11 C ATOM 1046 C LYS A 67 3.669 4.873 13.012 1.00 65.04 C ATOM 1047 O LYS A 67 4.686 5.492 13.337 1.00 61.34 O ATOM 1048 CB LYS A 67 3.630 2.437 13.812 1.00 74.33 C ATOM 1049 CG LYS A 67 5.145 2.342 14.110 1.00 60.03 C ATOM 1050 CD LYS A 67 5.680 0.893 14.039 1.00 12.43 C ATOM 1051 CE LYS A 67 7.183 0.803 14.359 1.00 13.51 C ATOM 1052 NZ LYS A 67 7.675 -0.595 14.335 1.00 2.42 N ATOM 0 H LYS A 67 1.218 2.956 13.365 1.00 44.21 H new ATOM 0 HA LYS A 67 3.244 4.227 14.998 1.00 60.11 H new ATOM 0 HB2 LYS A 67 3.101 1.741 14.463 1.00 74.33 H new ATOM 0 HB3 LYS A 67 3.454 2.112 12.787 1.00 74.33 H new ATOM 0 HG2 LYS A 67 5.690 2.961 13.398 1.00 60.03 H new ATOM 0 HG3 LYS A 67 5.342 2.749 15.102 1.00 60.03 H new ATOM 0 HD2 LYS A 67 5.125 0.269 14.740 1.00 12.43 H new ATOM 0 HD3 LYS A 67 5.499 0.491 13.042 1.00 12.43 H new ATOM 0 HE2 LYS A 67 7.743 1.397 13.637 1.00 13.51 H new ATOM 0 HE3 LYS A 67 7.371 1.236 15.341 1.00 13.51 H new ATOM 0 HZ1 LYS A 67 8.691 -0.609 14.556 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 7.159 -1.157 15.042 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 7.520 -1.001 13.390 1.00 2.42 H new ATOM 1066 N PHE A 68 3.085 5.037 11.809 1.00 74.14 N ATOM 1067 CA PHE A 68 3.676 5.895 10.738 1.00 32.20 C ATOM 1068 C PHE A 68 2.864 7.180 10.448 1.00 14.21 C ATOM 1069 O PHE A 68 3.427 8.149 9.940 1.00 44.24 O ATOM 1070 CB PHE A 68 3.856 5.068 9.438 1.00 41.33 C ATOM 1071 CG PHE A 68 4.836 3.900 9.585 1.00 34.53 C ATOM 1072 CD1 PHE A 68 4.416 2.669 10.091 1.00 70.21 C ATOM 1073 CD2 PHE A 68 6.181 4.042 9.235 1.00 54.42 C ATOM 1074 CE1 PHE A 68 5.301 1.623 10.244 1.00 21.21 C ATOM 1075 CE2 PHE A 68 7.064 2.989 9.388 1.00 31.13 C ATOM 1076 CZ PHE A 68 6.624 1.781 9.893 1.00 63.20 C ATOM 0 H PHE A 68 2.206 4.592 11.545 1.00 74.14 H new ATOM 0 HA PHE A 68 4.645 6.229 11.110 1.00 32.20 H new ATOM 0 HB2 PHE A 68 2.886 4.680 9.127 1.00 41.33 H new ATOM 0 HB3 PHE A 68 4.206 5.727 8.644 1.00 41.33 H new ATOM 0 HD1 PHE A 68 3.381 2.534 10.367 1.00 70.21 H new ATOM 0 HD2 PHE A 68 6.535 4.983 8.841 1.00 54.42 H new ATOM 0 HE1 PHE A 68 4.957 0.679 10.639 1.00 21.21 H new ATOM 0 HE2 PHE A 68 8.101 3.111 9.112 1.00 31.13 H new ATOM 0 HZ PHE A 68 7.316 0.961 10.013 1.00 63.20 H new ATOM 1086 N PHE A 69 1.541 7.186 10.702 1.00 60.24 N ATOM 1087 CA PHE A 69 0.725 8.420 10.524 1.00 0.11 C ATOM 1088 C PHE A 69 0.658 9.275 11.825 1.00 63.42 C ATOM 1089 O PHE A 69 0.849 10.496 11.774 1.00 24.45 O ATOM 1090 CB PHE A 69 -0.689 8.072 9.986 1.00 15.10 C ATOM 1091 CG PHE A 69 -1.606 9.279 9.810 1.00 14.41 C ATOM 1092 CD1 PHE A 69 -1.300 10.270 8.883 1.00 34.10 C ATOM 1093 CD2 PHE A 69 -2.756 9.437 10.588 1.00 64.03 C ATOM 1094 CE1 PHE A 69 -2.106 11.376 8.739 1.00 15.22 C ATOM 1095 CE2 PHE A 69 -3.561 10.543 10.437 1.00 35.13 C ATOM 1096 CZ PHE A 69 -3.232 11.513 9.514 1.00 4.42 C ATOM 0 H PHE A 69 1.016 6.373 11.025 1.00 60.24 H new ATOM 0 HA PHE A 69 1.224 9.038 9.778 1.00 0.11 H new ATOM 0 HB2 PHE A 69 -0.586 7.565 9.026 1.00 15.10 H new ATOM 0 HB3 PHE A 69 -1.162 7.367 10.669 1.00 15.10 H new ATOM 0 HD1 PHE A 69 -0.418 10.170 8.268 1.00 34.10 H new ATOM 0 HD2 PHE A 69 -3.016 8.683 11.316 1.00 64.03 H new ATOM 0 HE1 PHE A 69 -1.853 12.137 8.016 1.00 15.22 H new ATOM 0 HE2 PHE A 69 -4.450 10.651 11.041 1.00 35.13 H new ATOM 0 HZ PHE A 69 -3.861 12.383 9.400 1.00 4.42 H new ATOM 1106 N HIS A 70 0.407 8.633 12.989 1.00 60.54 N ATOM 1107 CA HIS A 70 0.257 9.355 14.292 1.00 13.04 C ATOM 1108 C HIS A 70 1.625 9.788 14.888 1.00 12.54 C ATOM 1109 O HIS A 70 1.713 10.820 15.557 1.00 75.32 O ATOM 1110 CB HIS A 70 -0.529 8.494 15.326 1.00 62.04 C ATOM 1111 CG HIS A 70 -2.014 8.404 15.080 1.00 4.25 C ATOM 1112 ND1 HIS A 70 -2.947 8.611 16.071 1.00 33.13 N ATOM 1113 CD2 HIS A 70 -2.724 8.136 13.961 1.00 44.02 C ATOM 1114 CE1 HIS A 70 -4.155 8.474 15.582 1.00 52.45 C ATOM 1115 NE2 HIS A 70 -4.052 8.188 14.306 1.00 45.52 N ATOM 0 H HIS A 70 0.303 7.621 13.062 1.00 60.54 H new ATOM 0 HA HIS A 70 -0.313 10.260 14.080 1.00 13.04 H new ATOM 0 HB2 HIS A 70 -0.114 7.486 15.328 1.00 62.04 H new ATOM 0 HB3 HIS A 70 -0.365 8.908 16.321 1.00 62.04 H new ATOM 0 HD2 HIS A 70 -2.323 7.922 12.982 1.00 44.02 H new ATOM 0 HE1 HIS A 70 -5.077 8.579 16.135 1.00 52.45 H new ATOM 0 HE2 HIS A 70 -4.834 8.029 13.671 1.00 45.52 H new ATOM 1124 N ASN A 71 2.677 8.987 14.644 1.00 10.20 N ATOM 1125 CA ASN A 71 4.033 9.240 15.202 1.00 12.44 C ATOM 1126 C ASN A 71 4.879 10.170 14.283 1.00 64.51 C ATOM 1127 O ASN A 71 5.957 10.634 14.673 1.00 33.23 O ATOM 1128 CB ASN A 71 4.731 7.876 15.444 1.00 24.30 C ATOM 1129 CG ASN A 71 6.040 7.977 16.233 1.00 43.24 C ATOM 1130 OD1 ASN A 71 7.125 8.057 15.664 1.00 61.11 O ATOM 1131 ND2 ASN A 71 5.948 8.008 17.551 1.00 61.14 N ATOM 0 H ASN A 71 2.621 8.152 14.061 1.00 10.20 H new ATOM 0 HA ASN A 71 3.937 9.770 16.150 1.00 12.44 H new ATOM 0 HB2 ASN A 71 4.046 7.219 15.980 1.00 24.30 H new ATOM 0 HB3 ASN A 71 4.934 7.408 14.481 1.00 24.30 H new ATOM 0 HD21 ASN A 71 6.790 8.100 18.119 1.00 61.14 H new ATOM 0 HD22 ASN A 71 5.035 7.940 18.000 1.00 61.14 H new ATOM 1138 N ASN A 72 4.359 10.474 13.077 1.00 23.31 N ATOM 1139 CA ASN A 72 5.061 11.296 12.053 1.00 50.42 C ATOM 1140 C ASN A 72 4.199 12.508 11.647 1.00 32.51 C ATOM 1141 O ASN A 72 2.977 12.506 11.823 1.00 61.21 O ATOM 1142 CB ASN A 72 5.393 10.477 10.765 1.00 51.33 C ATOM 1143 CG ASN A 72 6.274 9.247 10.991 1.00 2.43 C ATOM 1144 OD1 ASN A 72 6.205 8.585 12.019 1.00 14.44 O ATOM 1145 ND2 ASN A 72 7.132 8.935 10.038 1.00 61.41 N ATOM 0 H ASN A 72 3.436 10.158 12.778 1.00 23.31 H new ATOM 0 HA ASN A 72 5.994 11.627 12.509 1.00 50.42 H new ATOM 0 HB2 ASN A 72 4.458 10.156 10.305 1.00 51.33 H new ATOM 0 HB3 ASN A 72 5.890 11.135 10.052 1.00 51.33 H new ATOM 0 HD21 ASN A 72 7.751 8.132 10.152 1.00 61.41 H new ATOM 0 HD22 ASN A 72 7.177 9.497 9.188 1.00 61.41 H new ATOM 1152 N ALA A 73 4.863 13.541 11.099 1.00 41.23 N ATOM 1153 CA ALA A 73 4.191 14.690 10.467 1.00 20.24 C ATOM 1154 C ALA A 73 3.489 14.230 9.171 1.00 64.31 C ATOM 1155 O ALA A 73 4.026 13.380 8.460 1.00 3.40 O ATOM 1156 CB ALA A 73 5.207 15.804 10.159 1.00 30.13 C ATOM 0 H ALA A 73 5.881 13.603 11.082 1.00 41.23 H new ATOM 0 HA ALA A 73 3.445 15.089 11.155 1.00 20.24 H new ATOM 0 HB1 ALA A 73 4.694 16.645 9.692 1.00 30.13 H new ATOM 0 HB2 ALA A 73 5.677 16.134 11.085 1.00 30.13 H new ATOM 0 HB3 ALA A 73 5.970 15.423 9.481 1.00 30.13 H new ATOM 1162 N HIS A 74 2.276 14.755 8.897 1.00 75.42 N ATOM 1163 CA HIS A 74 1.504 14.414 7.673 1.00 63.44 C ATOM 1164 C HIS A 74 2.336 14.666 6.377 1.00 40.20 C ATOM 1165 O HIS A 74 2.198 13.931 5.402 1.00 35.32 O ATOM 1166 CB HIS A 74 0.171 15.202 7.643 1.00 70.13 C ATOM 1167 CG HIS A 74 -0.781 14.796 6.534 1.00 10.13 C ATOM 1168 ND1 HIS A 74 -1.088 13.559 6.051 1.00 1.32 N flip ATOM 1169 CD2 HIS A 74 -1.534 15.724 5.862 1.00 22.40 C flip ATOM 1170 CE1 HIS A 74 -2.036 13.735 5.081 1.00 43.12 C flip ATOM 1171 NE2 HIS A 74 -2.270 15.049 5.009 1.00 24.03 N flip ATOM 0 H HIS A 74 1.804 15.421 9.508 1.00 75.42 H new ATOM 0 HA HIS A 74 1.277 13.348 7.704 1.00 63.44 H new ATOM 0 HB2 HIS A 74 -0.333 15.073 8.601 1.00 70.13 H new ATOM 0 HB3 HIS A 74 0.395 16.264 7.541 1.00 70.13 H new ATOM 0 HD1 HIS A 74 -0.687 12.672 6.355 1.00 1.32 H new ATOM 0 HD2 HIS A 74 -1.524 16.794 6.005 1.00 22.40 H new ATOM 0 HE1 HIS A 74 -2.504 12.963 4.489 1.00 43.12 H new ATOM 1179 N ASN A 75 3.216 15.693 6.411 1.00 5.31 N ATOM 1180 CA ASN A 75 4.249 15.930 5.360 1.00 21.53 C ATOM 1181 C ASN A 75 5.107 14.666 5.107 1.00 70.13 C ATOM 1182 O ASN A 75 5.230 14.193 3.969 1.00 34.11 O ATOM 1183 CB ASN A 75 5.189 17.081 5.799 1.00 11.00 C ATOM 1184 CG ASN A 75 4.483 18.424 5.886 1.00 13.02 C ATOM 1185 OD1 ASN A 75 4.560 19.204 4.830 1.00 3.12 O flip ATOM 1186 ND2 ASN A 75 3.888 18.761 6.902 1.00 74.22 N flip ATOM 0 H ASN A 75 3.235 16.382 7.163 1.00 5.31 H new ATOM 0 HA ASN A 75 3.726 16.189 4.440 1.00 21.53 H new ATOM 0 HB2 ASN A 75 5.620 16.840 6.771 1.00 11.00 H new ATOM 0 HB3 ASN A 75 6.016 17.157 5.093 1.00 11.00 H new ATOM 0 HD21 ASN A 75 3.848 18.130 7.703 1.00 74.22 H new ATOM 0 HD22 ASN A 75 3.432 19.672 6.947 1.00 74.22 H new ATOM 1193 N ARG A 76 5.649 14.117 6.209 1.00 11.02 N ATOM 1194 CA ARG A 76 6.548 12.945 6.185 1.00 2.24 C ATOM 1195 C ARG A 76 5.777 11.651 5.830 1.00 64.13 C ATOM 1196 O ARG A 76 6.334 10.747 5.212 1.00 52.03 O ATOM 1197 CB ARG A 76 7.257 12.783 7.561 1.00 33.54 C ATOM 1198 CG ARG A 76 8.451 11.794 7.562 1.00 32.44 C ATOM 1199 CD ARG A 76 9.626 12.283 6.686 1.00 2.52 C ATOM 1200 NE ARG A 76 10.150 13.589 7.136 1.00 35.32 N ATOM 1201 CZ ARG A 76 11.053 14.313 6.506 1.00 71.13 C ATOM 1202 NH1 ARG A 76 11.542 13.948 5.362 1.00 64.11 N ATOM 1203 NH2 ARG A 76 11.438 15.432 7.014 1.00 22.52 N ATOM 0 H ARG A 76 5.475 14.475 7.148 1.00 11.02 H new ATOM 0 HA ARG A 76 7.298 13.114 5.412 1.00 2.24 H new ATOM 0 HB2 ARG A 76 7.612 13.760 7.889 1.00 33.54 H new ATOM 0 HB3 ARG A 76 6.524 12.447 8.295 1.00 33.54 H new ATOM 0 HG2 ARG A 76 8.800 11.652 8.585 1.00 32.44 H new ATOM 0 HG3 ARG A 76 8.114 10.822 7.202 1.00 32.44 H new ATOM 0 HD2 ARG A 76 10.427 11.544 6.710 1.00 2.52 H new ATOM 0 HD3 ARG A 76 9.296 12.363 5.650 1.00 2.52 H new ATOM 0 HE ARG A 76 9.781 13.963 8.010 1.00 35.32 H new ATOM 0 HH11 ARG A 76 11.229 13.080 4.927 1.00 64.11 H new ATOM 0 HH12 ARG A 76 12.240 14.529 4.897 1.00 64.11 H new ATOM 0 HH21 ARG A 76 11.044 15.753 7.899 1.00 22.52 H new ATOM 0 HH22 ARG A 76 12.137 15.997 6.532 1.00 22.52 H new ATOM 1217 N PHE A 77 4.489 11.583 6.227 1.00 1.31 N ATOM 1218 CA PHE A 77 3.615 10.431 5.927 1.00 53.24 C ATOM 1219 C PHE A 77 3.288 10.350 4.416 1.00 51.21 C ATOM 1220 O PHE A 77 3.220 9.257 3.859 1.00 5.23 O ATOM 1221 CB PHE A 77 2.299 10.484 6.751 1.00 52.42 C ATOM 1222 CG PHE A 77 1.359 9.308 6.457 1.00 73.21 C ATOM 1223 CD1 PHE A 77 1.653 8.032 6.934 1.00 65.42 C ATOM 1224 CD2 PHE A 77 0.213 9.467 5.662 1.00 1.41 C ATOM 1225 CE1 PHE A 77 0.838 6.959 6.640 1.00 61.25 C ATOM 1226 CE2 PHE A 77 -0.595 8.387 5.364 1.00 41.55 C ATOM 1227 CZ PHE A 77 -0.284 7.134 5.855 1.00 32.43 C ATOM 0 H PHE A 77 4.029 12.320 6.761 1.00 1.31 H new ATOM 0 HA PHE A 77 4.164 9.534 6.213 1.00 53.24 H new ATOM 0 HB2 PHE A 77 2.542 10.490 7.813 1.00 52.42 H new ATOM 0 HB3 PHE A 77 1.780 11.419 6.537 1.00 52.42 H new ATOM 0 HD1 PHE A 77 2.532 7.881 7.543 1.00 65.42 H new ATOM 0 HD2 PHE A 77 -0.040 10.445 5.279 1.00 1.41 H new ATOM 0 HE1 PHE A 77 1.078 5.979 7.025 1.00 61.25 H new ATOM 0 HE2 PHE A 77 -1.471 8.522 4.747 1.00 41.55 H new ATOM 0 HZ PHE A 77 -0.919 6.291 5.625 1.00 32.43 H new ATOM 1237 N ILE A 78 3.059 11.515 3.778 1.00 51.24 N ATOM 1238 CA ILE A 78 2.841 11.603 2.311 1.00 0.52 C ATOM 1239 C ILE A 78 4.113 11.155 1.544 1.00 33.21 C ATOM 1240 O ILE A 78 4.022 10.480 0.517 1.00 12.31 O ATOM 1241 CB ILE A 78 2.389 13.060 1.890 1.00 4.41 C ATOM 1242 CG1 ILE A 78 0.992 13.393 2.523 1.00 52.30 C ATOM 1243 CG2 ILE A 78 2.359 13.245 0.347 1.00 15.04 C ATOM 1244 CD1 ILE A 78 0.520 14.830 2.337 1.00 1.44 C ATOM 0 H ILE A 78 3.019 12.416 4.255 1.00 51.24 H new ATOM 0 HA ILE A 78 2.033 10.923 2.042 1.00 0.52 H new ATOM 0 HB ILE A 78 3.130 13.761 2.274 1.00 4.41 H new ATOM 0 HG12 ILE A 78 0.247 12.724 2.092 1.00 52.30 H new ATOM 0 HG13 ILE A 78 1.034 13.177 3.591 1.00 52.30 H new ATOM 0 HG21 ILE A 78 2.043 14.261 0.108 1.00 15.04 H new ATOM 0 HG22 ILE A 78 3.355 13.070 -0.060 1.00 15.04 H new ATOM 0 HG23 ILE A 78 1.658 12.534 -0.091 1.00 15.04 H new ATOM 0 HD11 ILE A 78 -0.454 14.957 2.810 1.00 1.44 H new ATOM 0 HD12 ILE A 78 1.238 15.511 2.795 1.00 1.44 H new ATOM 0 HD13 ILE A 78 0.438 15.051 1.273 1.00 1.44 H new ATOM 1256 N GLU A 79 5.297 11.499 2.091 1.00 54.52 N ATOM 1257 CA GLU A 79 6.597 11.001 1.580 1.00 11.23 C ATOM 1258 C GLU A 79 6.674 9.460 1.642 1.00 53.14 C ATOM 1259 O GLU A 79 7.041 8.802 0.658 1.00 3.11 O ATOM 1260 CB GLU A 79 7.768 11.618 2.376 1.00 53.23 C ATOM 1261 CG GLU A 79 7.872 13.149 2.273 1.00 41.03 C ATOM 1262 CD GLU A 79 9.044 13.725 3.072 1.00 74.45 C ATOM 1263 OE1 GLU A 79 10.206 13.383 2.755 1.00 42.00 O ATOM 1264 OE2 GLU A 79 8.817 14.513 4.018 1.00 1.45 O ATOM 0 H GLU A 79 5.382 12.124 2.892 1.00 54.52 H new ATOM 0 HA GLU A 79 6.677 11.306 0.536 1.00 11.23 H new ATOM 0 HB2 GLU A 79 7.662 11.343 3.426 1.00 53.23 H new ATOM 0 HB3 GLU A 79 8.701 11.179 2.024 1.00 53.23 H new ATOM 0 HG2 GLU A 79 7.981 13.430 1.226 1.00 41.03 H new ATOM 0 HG3 GLU A 79 6.943 13.595 2.628 1.00 41.03 H new ATOM 1271 N LEU A 80 6.298 8.907 2.813 1.00 54.31 N ATOM 1272 CA LEU A 80 6.212 7.451 3.039 1.00 22.34 C ATOM 1273 C LEU A 80 5.195 6.804 2.074 1.00 23.33 C ATOM 1274 O LEU A 80 5.456 5.753 1.514 1.00 44.12 O ATOM 1275 CB LEU A 80 5.820 7.153 4.516 1.00 14.34 C ATOM 1276 CG LEU A 80 6.845 7.605 5.606 1.00 11.34 C ATOM 1277 CD1 LEU A 80 6.312 7.329 7.032 1.00 64.10 C ATOM 1278 CD2 LEU A 80 8.237 6.960 5.378 1.00 13.44 C ATOM 0 H LEU A 80 6.045 9.461 3.631 1.00 54.31 H new ATOM 0 HA LEU A 80 7.193 7.018 2.843 1.00 22.34 H new ATOM 0 HB2 LEU A 80 4.865 7.637 4.722 1.00 14.34 H new ATOM 0 HB3 LEU A 80 5.662 6.079 4.619 1.00 14.34 H new ATOM 0 HG LEU A 80 6.971 8.684 5.512 1.00 11.34 H new ATOM 0 HD11 LEU A 80 7.049 7.655 7.765 1.00 64.10 H new ATOM 0 HD12 LEU A 80 5.382 7.876 7.185 1.00 64.10 H new ATOM 0 HD13 LEU A 80 6.129 6.261 7.152 1.00 64.10 H new ATOM 0 HD21 LEU A 80 8.925 7.296 6.154 1.00 13.44 H new ATOM 0 HD22 LEU A 80 8.146 5.875 5.419 1.00 13.44 H new ATOM 0 HD23 LEU A 80 8.619 7.256 4.401 1.00 13.44 H new ATOM 1290 N ASN A 81 4.069 7.492 1.849 1.00 34.02 N ATOM 1291 CA ASN A 81 2.950 7.003 1.012 1.00 32.42 C ATOM 1292 C ASN A 81 3.415 6.817 -0.469 1.00 41.34 C ATOM 1293 O ASN A 81 3.108 5.805 -1.106 1.00 21.30 O ATOM 1294 CB ASN A 81 1.766 8.016 1.115 1.00 15.13 C ATOM 1295 CG ASN A 81 0.397 7.438 0.761 1.00 53.01 C ATOM 1296 OD1 ASN A 81 0.284 6.461 0.046 1.00 12.31 O ATOM 1297 ND2 ASN A 81 -0.667 8.076 1.222 1.00 51.04 N ATOM 0 H ASN A 81 3.901 8.417 2.245 1.00 34.02 H new ATOM 0 HA ASN A 81 2.616 6.029 1.370 1.00 32.42 H new ATOM 0 HB2 ASN A 81 1.728 8.407 2.132 1.00 15.13 H new ATOM 0 HB3 ASN A 81 1.970 8.860 0.456 1.00 15.13 H new ATOM 0 HD21 ASN A 81 -1.602 7.750 0.979 1.00 51.04 H new ATOM 0 HD22 ASN A 81 -0.552 8.894 1.821 1.00 51.04 H new ATOM 1304 N PHE A 82 4.181 7.810 -0.986 1.00 70.33 N ATOM 1305 CA PHE A 82 4.812 7.750 -2.332 1.00 51.12 C ATOM 1306 C PHE A 82 5.816 6.573 -2.466 1.00 34.45 C ATOM 1307 O PHE A 82 5.705 5.772 -3.388 1.00 74.54 O ATOM 1308 CB PHE A 82 5.536 9.094 -2.667 1.00 22.03 C ATOM 1309 CG PHE A 82 4.663 10.160 -3.330 1.00 21.33 C ATOM 1310 CD1 PHE A 82 3.880 11.029 -2.576 1.00 11.54 C ATOM 1311 CD2 PHE A 82 4.636 10.295 -4.722 1.00 71.54 C ATOM 1312 CE1 PHE A 82 3.101 11.991 -3.185 1.00 14.45 C ATOM 1313 CE2 PHE A 82 3.855 11.259 -5.327 1.00 54.14 C ATOM 1314 CZ PHE A 82 3.087 12.104 -4.558 1.00 4.22 C ATOM 0 H PHE A 82 4.380 8.675 -0.483 1.00 70.33 H new ATOM 0 HA PHE A 82 4.004 7.582 -3.044 1.00 51.12 H new ATOM 0 HB2 PHE A 82 5.946 9.506 -1.745 1.00 22.03 H new ATOM 0 HB3 PHE A 82 6.379 8.879 -3.323 1.00 22.03 H new ATOM 0 HD1 PHE A 82 3.882 10.949 -1.499 1.00 11.54 H new ATOM 0 HD2 PHE A 82 5.235 9.635 -5.332 1.00 71.54 H new ATOM 0 HE1 PHE A 82 2.500 12.657 -2.584 1.00 14.45 H new ATOM 0 HE2 PHE A 82 3.846 11.350 -6.403 1.00 54.14 H new ATOM 0 HZ PHE A 82 2.473 12.856 -5.031 1.00 4.22 H new ATOM 1324 N LYS A 83 6.804 6.490 -1.554 1.00 0.01 N ATOM 1325 CA LYS A 83 7.909 5.493 -1.666 1.00 70.13 C ATOM 1326 C LYS A 83 7.460 4.047 -1.353 1.00 24.35 C ATOM 1327 O LYS A 83 8.073 3.088 -1.827 1.00 3.24 O ATOM 1328 CB LYS A 83 9.121 5.913 -0.794 1.00 62.21 C ATOM 1329 CG LYS A 83 8.858 5.994 0.727 1.00 1.53 C ATOM 1330 CD LYS A 83 10.035 6.643 1.497 1.00 22.32 C ATOM 1331 CE LYS A 83 10.279 8.111 1.073 1.00 65.33 C ATOM 1332 NZ LYS A 83 11.446 8.717 1.759 1.00 11.35 N ATOM 0 H LYS A 83 6.868 7.093 -0.734 1.00 0.01 H new ATOM 0 HA LYS A 83 8.219 5.489 -2.711 1.00 70.13 H new ATOM 0 HB2 LYS A 83 9.932 5.205 -0.966 1.00 62.21 H new ATOM 0 HB3 LYS A 83 9.471 6.887 -1.136 1.00 62.21 H new ATOM 0 HG2 LYS A 83 7.950 6.569 0.906 1.00 1.53 H new ATOM 0 HG3 LYS A 83 8.682 4.991 1.116 1.00 1.53 H new ATOM 0 HD2 LYS A 83 9.830 6.606 2.567 1.00 22.32 H new ATOM 0 HD3 LYS A 83 10.942 6.063 1.326 1.00 22.32 H new ATOM 0 HE2 LYS A 83 10.434 8.153 -0.005 1.00 65.33 H new ATOM 0 HE3 LYS A 83 9.388 8.701 1.290 1.00 65.33 H new ATOM 0 HZ1 LYS A 83 11.565 9.699 1.439 1.00 11.35 H new ATOM 0 HZ2 LYS A 83 11.290 8.704 2.787 1.00 11.35 H new ATOM 0 HZ3 LYS A 83 12.303 8.173 1.532 1.00 11.35 H new ATOM 1346 N HIS A 84 6.400 3.903 -0.544 1.00 12.40 N ATOM 1347 CA HIS A 84 5.833 2.583 -0.198 1.00 1.30 C ATOM 1348 C HIS A 84 4.876 2.052 -1.293 1.00 71.11 C ATOM 1349 O HIS A 84 4.946 0.878 -1.658 1.00 65.13 O ATOM 1350 CB HIS A 84 5.118 2.641 1.179 1.00 4.41 C ATOM 1351 CG HIS A 84 6.048 2.911 2.343 1.00 64.44 C ATOM 1352 ND1 HIS A 84 5.662 3.599 3.473 1.00 21.52 N ATOM 1353 CD2 HIS A 84 7.339 2.547 2.561 1.00 24.13 C ATOM 1354 CE1 HIS A 84 6.664 3.646 4.327 1.00 15.22 C ATOM 1355 NE2 HIS A 84 7.690 3.016 3.802 1.00 11.04 N ATOM 0 H HIS A 84 5.912 4.688 -0.112 1.00 12.40 H new ATOM 0 HA HIS A 84 6.664 1.880 -0.133 1.00 1.30 H new ATOM 0 HB2 HIS A 84 4.355 3.419 1.149 1.00 4.41 H new ATOM 0 HB3 HIS A 84 4.603 1.696 1.350 1.00 4.41 H new ATOM 0 HD2 HIS A 84 7.971 1.992 1.884 1.00 24.13 H new ATOM 0 HE1 HIS A 84 6.645 4.123 5.296 1.00 15.22 H new ATOM 0 HE2 HIS A 84 8.601 2.895 4.245 1.00 11.04 H new ATOM 1364 N LEU A 85 3.979 2.917 -1.820 1.00 62.01 N ATOM 1365 CA LEU A 85 2.907 2.472 -2.760 1.00 12.11 C ATOM 1366 C LEU A 85 3.253 2.708 -4.253 1.00 53.54 C ATOM 1367 O LEU A 85 2.751 1.997 -5.107 1.00 31.15 O ATOM 1368 CB LEU A 85 1.557 3.156 -2.411 1.00 31.45 C ATOM 1369 CG LEU A 85 1.035 2.962 -0.946 1.00 24.22 C ATOM 1370 CD1 LEU A 85 -0.392 3.528 -0.783 1.00 34.11 C ATOM 1371 CD2 LEU A 85 1.104 1.482 -0.510 1.00 45.42 C ATOM 0 H LEU A 85 3.970 3.917 -1.618 1.00 62.01 H new ATOM 0 HA LEU A 85 2.820 1.393 -2.628 1.00 12.11 H new ATOM 0 HB2 LEU A 85 1.657 4.225 -2.599 1.00 31.45 H new ATOM 0 HB3 LEU A 85 0.797 2.781 -3.097 1.00 31.45 H new ATOM 0 HG LEU A 85 1.694 3.526 -0.286 1.00 24.22 H new ATOM 0 HD11 LEU A 85 -0.727 3.379 0.243 1.00 34.11 H new ATOM 0 HD12 LEU A 85 -0.389 4.593 -1.013 1.00 34.11 H new ATOM 0 HD13 LEU A 85 -1.068 3.012 -1.464 1.00 34.11 H new ATOM 0 HD21 LEU A 85 0.734 1.386 0.511 1.00 45.42 H new ATOM 0 HD22 LEU A 85 0.490 0.877 -1.177 1.00 45.42 H new ATOM 0 HD23 LEU A 85 2.137 1.137 -0.556 1.00 45.42 H new ATOM 1383 N LEU A 86 4.080 3.719 -4.569 1.00 40.24 N ATOM 1384 CA LEU A 86 4.546 3.986 -5.971 1.00 61.32 C ATOM 1385 C LEU A 86 6.057 3.686 -6.154 1.00 65.05 C ATOM 1386 O LEU A 86 6.514 3.445 -7.279 1.00 73.54 O ATOM 1387 CB LEU A 86 4.272 5.470 -6.355 1.00 25.11 C ATOM 1388 CG LEU A 86 2.779 5.926 -6.386 1.00 31.33 C ATOM 1389 CD1 LEU A 86 2.669 7.445 -6.668 1.00 4.12 C ATOM 1390 CD2 LEU A 86 1.959 5.108 -7.408 1.00 2.14 C ATOM 0 H LEU A 86 4.449 4.375 -3.881 1.00 40.24 H new ATOM 0 HA LEU A 86 3.986 3.318 -6.625 1.00 61.32 H new ATOM 0 HB2 LEU A 86 4.807 6.107 -5.651 1.00 25.11 H new ATOM 0 HB3 LEU A 86 4.703 5.651 -7.340 1.00 25.11 H new ATOM 0 HG LEU A 86 2.355 5.736 -5.400 1.00 31.33 H new ATOM 0 HD11 LEU A 86 1.619 7.737 -6.684 1.00 4.12 H new ATOM 0 HD12 LEU A 86 3.187 7.999 -5.885 1.00 4.12 H new ATOM 0 HD13 LEU A 86 3.123 7.670 -7.633 1.00 4.12 H new ATOM 0 HD21 LEU A 86 0.925 5.452 -7.403 1.00 2.14 H new ATOM 0 HD22 LEU A 86 2.381 5.242 -8.404 1.00 2.14 H new ATOM 0 HD23 LEU A 86 1.992 4.052 -7.139 1.00 2.14 H new ATOM 1402 N GLY A 87 6.823 3.720 -5.045 1.00 52.14 N ATOM 1403 CA GLY A 87 8.299 3.655 -5.105 1.00 51.45 C ATOM 1404 C GLY A 87 8.932 4.986 -5.535 1.00 2.45 C ATOM 1405 O GLY A 87 10.041 5.014 -6.081 1.00 33.11 O ATOM 0 H GLY A 87 6.447 3.792 -4.100 1.00 52.14 H new ATOM 0 HA2 GLY A 87 8.687 3.372 -4.126 1.00 51.45 H new ATOM 0 HA3 GLY A 87 8.596 2.873 -5.804 1.00 51.45 H new ATOM 1409 N ARG A 88 8.215 6.097 -5.266 1.00 41.23 N ATOM 1410 CA ARG A 88 8.600 7.465 -5.703 1.00 41.23 C ATOM 1411 C ARG A 88 8.883 8.407 -4.508 1.00 11.24 C ATOM 1412 O ARG A 88 8.600 8.085 -3.357 1.00 50.23 O ATOM 1413 CB ARG A 88 7.475 8.066 -6.587 1.00 1.23 C ATOM 1414 CG ARG A 88 7.252 7.325 -7.923 1.00 12.24 C ATOM 1415 CD ARG A 88 6.107 7.929 -8.746 1.00 41.12 C ATOM 1416 NE ARG A 88 6.295 9.363 -9.013 1.00 62.30 N ATOM 1417 CZ ARG A 88 5.436 10.144 -9.623 1.00 34.14 C ATOM 1418 NH1 ARG A 88 4.332 9.682 -10.132 1.00 54.15 N ATOM 1419 NH2 ARG A 88 5.708 11.398 -9.729 1.00 72.34 N ATOM 0 H ARG A 88 7.344 6.075 -4.735 1.00 41.23 H new ATOM 0 HA ARG A 88 9.524 7.378 -6.275 1.00 41.23 H new ATOM 0 HB2 ARG A 88 6.543 8.060 -6.022 1.00 1.23 H new ATOM 0 HB3 ARG A 88 7.713 9.108 -6.799 1.00 1.23 H new ATOM 0 HG2 ARG A 88 8.171 7.354 -8.509 1.00 12.24 H new ATOM 0 HG3 ARG A 88 7.036 6.276 -7.721 1.00 12.24 H new ATOM 0 HD2 ARG A 88 6.025 7.395 -9.693 1.00 41.12 H new ATOM 0 HD3 ARG A 88 5.167 7.783 -8.215 1.00 41.12 H new ATOM 0 HE ARG A 88 7.168 9.786 -8.697 1.00 62.30 H new ATOM 0 HH11 ARG A 88 4.115 8.688 -10.062 1.00 54.15 H new ATOM 0 HH12 ARG A 88 3.683 10.314 -10.601 1.00 54.15 H new ATOM 0 HH21 ARG A 88 6.577 11.766 -9.342 1.00 72.34 H new ATOM 0 HH22 ARG A 88 5.054 12.024 -10.200 1.00 72.34 H new ATOM 1433 N ALA A 89 9.443 9.590 -4.808 1.00 53.35 N ATOM 1434 CA ALA A 89 9.750 10.634 -3.809 1.00 72.01 C ATOM 1435 C ALA A 89 9.039 11.954 -4.193 1.00 40.23 C ATOM 1436 O ALA A 89 9.245 12.442 -5.312 1.00 72.44 O ATOM 1437 CB ALA A 89 11.272 10.819 -3.696 1.00 23.43 C ATOM 0 H ALA A 89 9.699 9.854 -5.759 1.00 53.35 H new ATOM 0 HA ALA A 89 9.379 10.328 -2.831 1.00 72.01 H new ATOM 0 HB1 ALA A 89 11.491 11.590 -2.958 1.00 23.43 H new ATOM 0 HB2 ALA A 89 11.731 9.880 -3.387 1.00 23.43 H new ATOM 0 HB3 ALA A 89 11.675 11.118 -4.664 1.00 23.43 H new ATOM 1443 N PRO A 90 8.167 12.544 -3.305 1.00 32.11 N ATOM 1444 CA PRO A 90 7.493 13.835 -3.588 1.00 71.21 C ATOM 1445 C PRO A 90 8.509 15.009 -3.590 1.00 52.44 C ATOM 1446 O PRO A 90 8.753 15.664 -2.567 1.00 42.21 O ATOM 1447 CB PRO A 90 6.444 13.957 -2.454 1.00 73.22 C ATOM 1448 CG PRO A 90 7.021 13.162 -1.329 1.00 63.13 C ATOM 1449 CD PRO A 90 7.785 12.017 -1.968 1.00 5.52 C ATOM 0 HA PRO A 90 7.031 13.873 -4.574 1.00 71.21 H new ATOM 0 HB2 PRO A 90 6.288 14.997 -2.167 1.00 73.22 H new ATOM 0 HB3 PRO A 90 5.476 13.563 -2.764 1.00 73.22 H new ATOM 0 HG2 PRO A 90 7.681 13.776 -0.716 1.00 63.13 H new ATOM 0 HG3 PRO A 90 6.235 12.788 -0.674 1.00 63.13 H new ATOM 0 HD2 PRO A 90 8.662 11.745 -1.380 1.00 5.52 H new ATOM 0 HD3 PRO A 90 7.168 11.123 -2.053 1.00 5.52 H new ATOM 1457 N TYR A 91 9.113 15.224 -4.769 1.00 51.21 N ATOM 1458 CA TYR A 91 10.231 16.172 -4.970 1.00 52.14 C ATOM 1459 C TYR A 91 9.814 17.650 -4.784 1.00 74.11 C ATOM 1460 O TYR A 91 10.669 18.515 -4.569 1.00 31.55 O ATOM 1461 CB TYR A 91 10.855 15.955 -6.379 1.00 15.41 C ATOM 1462 CG TYR A 91 9.852 16.060 -7.544 1.00 14.24 C ATOM 1463 CD1 TYR A 91 9.476 17.297 -8.076 1.00 63.23 C ATOM 1464 CD2 TYR A 91 9.260 14.917 -8.088 1.00 32.53 C ATOM 1465 CE1 TYR A 91 8.555 17.392 -9.094 1.00 5.13 C ATOM 1466 CE2 TYR A 91 8.343 15.005 -9.112 1.00 31.33 C ATOM 1467 CZ TYR A 91 7.988 16.245 -9.612 1.00 73.55 C ATOM 1468 OH TYR A 91 7.066 16.343 -10.632 1.00 15.21 O ATOM 0 H TYR A 91 8.838 14.740 -5.624 1.00 51.21 H new ATOM 0 HA TYR A 91 10.973 15.964 -4.199 1.00 52.14 H new ATOM 0 HB2 TYR A 91 11.646 16.690 -6.530 1.00 15.41 H new ATOM 0 HB3 TYR A 91 11.324 14.972 -6.407 1.00 15.41 H new ATOM 0 HD1 TYR A 91 9.918 18.199 -7.679 1.00 63.23 H new ATOM 0 HD2 TYR A 91 9.527 13.946 -7.698 1.00 32.53 H new ATOM 0 HE1 TYR A 91 8.277 18.359 -9.486 1.00 5.13 H new ATOM 0 HE2 TYR A 91 7.903 14.109 -9.523 1.00 31.33 H new ATOM 0 HH TYR A 91 6.762 15.446 -10.886 1.00 15.21 H new ATOM 1478 N ASP A 92 8.503 17.931 -4.876 1.00 44.24 N ATOM 1479 CA ASP A 92 7.974 19.301 -4.783 1.00 4.22 C ATOM 1480 C ASP A 92 6.814 19.379 -3.783 1.00 60.31 C ATOM 1481 O ASP A 92 6.182 18.372 -3.432 1.00 13.21 O ATOM 1482 CB ASP A 92 7.534 19.797 -6.185 1.00 62.31 C ATOM 1483 CG ASP A 92 7.157 21.286 -6.230 1.00 5.13 C ATOM 1484 OD1 ASP A 92 7.989 22.126 -5.824 1.00 42.45 O ATOM 1485 OD2 ASP A 92 6.023 21.623 -6.626 1.00 2.25 O ATOM 0 H ASP A 92 7.785 17.220 -5.016 1.00 44.24 H new ATOM 0 HA ASP A 92 8.766 19.953 -4.416 1.00 4.22 H new ATOM 0 HB2 ASP A 92 8.342 19.616 -6.894 1.00 62.31 H new ATOM 0 HB3 ASP A 92 6.680 19.206 -6.517 1.00 62.31 H new ATOM 1490 N GLN A 93 6.556 20.614 -3.347 1.00 61.52 N ATOM 1491 CA GLN A 93 5.480 20.955 -2.415 1.00 34.50 C ATOM 1492 C GLN A 93 4.080 20.675 -3.013 1.00 63.35 C ATOM 1493 O GLN A 93 3.138 20.415 -2.268 1.00 12.32 O ATOM 1494 CB GLN A 93 5.613 22.447 -2.011 1.00 24.32 C ATOM 1495 CG GLN A 93 4.569 22.929 -0.984 1.00 4.11 C ATOM 1496 CD GLN A 93 4.621 22.202 0.375 1.00 51.50 C ATOM 1497 OE1 GLN A 93 3.598 21.993 1.015 1.00 73.41 O ATOM 1498 NE2 GLN A 93 5.808 21.847 0.845 1.00 74.41 N ATOM 0 H GLN A 93 7.103 21.424 -3.640 1.00 61.52 H new ATOM 0 HA GLN A 93 5.577 20.322 -1.533 1.00 34.50 H new ATOM 0 HB2 GLN A 93 6.609 22.611 -1.601 1.00 24.32 H new ATOM 0 HB3 GLN A 93 5.532 23.061 -2.908 1.00 24.32 H new ATOM 0 HG2 GLN A 93 4.711 23.997 -0.816 1.00 4.11 H new ATOM 0 HG3 GLN A 93 3.574 22.803 -1.411 1.00 4.11 H new ATOM 0 HE21 GLN A 93 6.649 22.029 0.297 1.00 74.41 H new ATOM 0 HE22 GLN A 93 5.881 21.391 1.755 1.00 74.41 H new ATOM 1507 N ALA A 94 3.971 20.705 -4.357 1.00 0.54 N ATOM 1508 CA ALA A 94 2.708 20.414 -5.079 1.00 5.20 C ATOM 1509 C ALA A 94 2.111 19.039 -4.689 1.00 11.11 C ATOM 1510 O ALA A 94 0.905 18.923 -4.479 1.00 50.43 O ATOM 1511 CB ALA A 94 2.942 20.483 -6.595 1.00 41.41 C ATOM 0 H ALA A 94 4.751 20.931 -4.974 1.00 0.54 H new ATOM 0 HA ALA A 94 1.982 21.173 -4.787 1.00 5.20 H new ATOM 0 HB1 ALA A 94 2.010 20.268 -7.117 1.00 41.41 H new ATOM 0 HB2 ALA A 94 3.287 21.481 -6.865 1.00 41.41 H new ATOM 0 HB3 ALA A 94 3.695 19.749 -6.881 1.00 41.41 H new ATOM 1517 N GLU A 95 2.986 18.023 -4.564 1.00 62.02 N ATOM 1518 CA GLU A 95 2.595 16.647 -4.165 1.00 33.21 C ATOM 1519 C GLU A 95 1.996 16.612 -2.740 1.00 15.22 C ATOM 1520 O GLU A 95 0.935 16.025 -2.508 1.00 73.45 O ATOM 1521 CB GLU A 95 3.823 15.690 -4.233 1.00 3.10 C ATOM 1522 CG GLU A 95 4.291 15.283 -5.649 1.00 73.31 C ATOM 1523 CD GLU A 95 4.864 16.430 -6.496 1.00 22.13 C ATOM 1524 OE1 GLU A 95 6.086 16.687 -6.421 1.00 51.24 O ATOM 1525 OE2 GLU A 95 4.092 17.063 -7.251 1.00 60.13 O ATOM 0 H GLU A 95 3.986 18.128 -4.736 1.00 62.02 H new ATOM 0 HA GLU A 95 1.831 16.313 -4.867 1.00 33.21 H new ATOM 0 HB2 GLU A 95 4.658 16.167 -3.720 1.00 3.10 H new ATOM 0 HB3 GLU A 95 3.583 14.784 -3.677 1.00 3.10 H new ATOM 0 HG2 GLU A 95 5.050 14.506 -5.556 1.00 73.31 H new ATOM 0 HG3 GLU A 95 3.448 14.843 -6.182 1.00 73.31 H new ATOM 1532 N VAL A 96 2.689 17.271 -1.805 1.00 30.21 N ATOM 1533 CA VAL A 96 2.336 17.253 -0.373 1.00 52.03 C ATOM 1534 C VAL A 96 1.043 18.063 -0.102 1.00 3.20 C ATOM 1535 O VAL A 96 0.162 17.610 0.622 1.00 32.35 O ATOM 1536 CB VAL A 96 3.532 17.794 0.497 1.00 64.40 C ATOM 1537 CG1 VAL A 96 3.208 17.743 2.016 1.00 70.41 C ATOM 1538 CG2 VAL A 96 4.837 17.015 0.173 1.00 1.21 C ATOM 0 H VAL A 96 3.513 17.834 -2.016 1.00 30.21 H new ATOM 0 HA VAL A 96 2.143 16.219 -0.086 1.00 52.03 H new ATOM 0 HB VAL A 96 3.685 18.842 0.238 1.00 64.40 H new ATOM 0 HG11 VAL A 96 4.058 18.124 2.582 1.00 70.41 H new ATOM 0 HG12 VAL A 96 2.330 18.356 2.222 1.00 70.41 H new ATOM 0 HG13 VAL A 96 3.008 16.713 2.311 1.00 70.41 H new ATOM 0 HG21 VAL A 96 5.653 17.402 0.783 1.00 1.21 H new ATOM 0 HG22 VAL A 96 4.692 15.957 0.390 1.00 1.21 H new ATOM 0 HG23 VAL A 96 5.082 17.139 -0.882 1.00 1.21 H new ATOM 1548 N ALA A 97 0.942 19.249 -0.724 1.00 4.21 N ATOM 1549 CA ALA A 97 -0.241 20.138 -0.626 1.00 51.34 C ATOM 1550 C ALA A 97 -1.505 19.491 -1.248 1.00 1.44 C ATOM 1551 O ALA A 97 -2.604 19.579 -0.681 1.00 32.41 O ATOM 1552 CB ALA A 97 0.064 21.488 -1.306 1.00 34.23 C ATOM 0 H ALA A 97 1.682 19.626 -1.316 1.00 4.21 H new ATOM 0 HA ALA A 97 -0.451 20.302 0.431 1.00 51.34 H new ATOM 0 HB1 ALA A 97 -0.808 22.138 -1.232 1.00 34.23 H new ATOM 0 HB2 ALA A 97 0.912 21.961 -0.812 1.00 34.23 H new ATOM 0 HB3 ALA A 97 0.303 21.321 -2.356 1.00 34.23 H new ATOM 1558 N ALA A 98 -1.327 18.834 -2.413 1.00 31.13 N ATOM 1559 CA ALA A 98 -2.429 18.159 -3.144 1.00 40.02 C ATOM 1560 C ALA A 98 -2.990 16.951 -2.365 1.00 22.13 C ATOM 1561 O ALA A 98 -4.201 16.784 -2.253 1.00 34.10 O ATOM 1562 CB ALA A 98 -1.966 17.718 -4.539 1.00 64.43 C ATOM 0 H ALA A 98 -0.421 18.754 -2.875 1.00 31.13 H new ATOM 0 HA ALA A 98 -3.234 18.887 -3.248 1.00 40.02 H new ATOM 0 HB1 ALA A 98 -2.789 17.226 -5.057 1.00 64.43 H new ATOM 0 HB2 ALA A 98 -1.648 18.591 -5.110 1.00 64.43 H new ATOM 0 HB3 ALA A 98 -1.131 17.024 -4.443 1.00 64.43 H new ATOM 1568 N HIS A 99 -2.089 16.110 -1.834 1.00 22.22 N ATOM 1569 CA HIS A 99 -2.469 14.916 -1.041 1.00 12.33 C ATOM 1570 C HIS A 99 -2.964 15.281 0.376 1.00 4.33 C ATOM 1571 O HIS A 99 -3.725 14.524 0.973 1.00 63.01 O ATOM 1572 CB HIS A 99 -1.313 13.888 -1.015 1.00 62.43 C ATOM 1573 CG HIS A 99 -1.177 13.146 -2.323 1.00 55.44 C ATOM 1574 ND1 HIS A 99 -2.013 12.104 -2.669 1.00 20.34 N ATOM 1575 CD2 HIS A 99 -0.359 13.328 -3.387 1.00 21.12 C ATOM 1576 CE1 HIS A 99 -1.722 11.689 -3.881 1.00 21.14 C ATOM 1577 NE2 HIS A 99 -0.724 12.408 -4.336 1.00 30.23 N ATOM 0 H HIS A 99 -1.082 16.231 -1.937 1.00 22.22 H new ATOM 0 HA HIS A 99 -3.318 14.447 -1.538 1.00 12.33 H new ATOM 0 HB2 HIS A 99 -0.378 14.402 -0.792 1.00 62.43 H new ATOM 0 HB3 HIS A 99 -1.484 13.173 -0.210 1.00 62.43 H new ATOM 0 HD1 HIS A 99 -2.745 11.715 -2.074 1.00 20.34 H new ATOM 0 HD2 HIS A 99 0.431 14.059 -3.472 1.00 21.12 H new ATOM 0 HE1 HIS A 99 -2.220 10.891 -4.412 1.00 21.14 H new ATOM 1586 N ALA A 100 -2.510 16.426 0.914 1.00 62.43 N ATOM 1587 CA ALA A 100 -3.109 17.022 2.135 1.00 23.43 C ATOM 1588 C ALA A 100 -4.589 17.402 1.892 1.00 12.20 C ATOM 1589 O ALA A 100 -5.464 17.092 2.704 1.00 21.33 O ATOM 1590 CB ALA A 100 -2.296 18.241 2.603 1.00 71.42 C ATOM 0 H ALA A 100 -1.732 16.961 0.528 1.00 62.43 H new ATOM 0 HA ALA A 100 -3.080 16.274 2.928 1.00 23.43 H new ATOM 0 HB1 ALA A 100 -2.753 18.661 3.499 1.00 71.42 H new ATOM 0 HB2 ALA A 100 -1.275 17.933 2.827 1.00 71.42 H new ATOM 0 HB3 ALA A 100 -2.283 18.994 1.815 1.00 71.42 H new ATOM 1596 N ALA A 101 -4.850 18.041 0.740 1.00 4.33 N ATOM 1597 CA ALA A 101 -6.219 18.412 0.307 1.00 22.51 C ATOM 1598 C ALA A 101 -7.097 17.157 0.047 1.00 64.21 C ATOM 1599 O ALA A 101 -8.285 17.143 0.382 1.00 3.51 O ATOM 1600 CB ALA A 101 -6.148 19.289 -0.951 1.00 3.34 C ATOM 0 H ALA A 101 -4.124 18.317 0.079 1.00 4.33 H new ATOM 0 HA ALA A 101 -6.688 18.977 1.113 1.00 22.51 H new ATOM 0 HB1 ALA A 101 -7.157 19.558 -1.264 1.00 3.34 H new ATOM 0 HB2 ALA A 101 -5.582 20.195 -0.732 1.00 3.34 H new ATOM 0 HB3 ALA A 101 -5.655 18.738 -1.751 1.00 3.34 H new ATOM 1606 N THR A 102 -6.484 16.107 -0.539 1.00 52.12 N ATOM 1607 CA THR A 102 -7.159 14.809 -0.819 1.00 74.30 C ATOM 1608 C THR A 102 -7.526 14.080 0.496 1.00 22.45 C ATOM 1609 O THR A 102 -8.612 13.511 0.620 1.00 10.43 O ATOM 1610 CB THR A 102 -6.263 13.874 -1.713 1.00 72.22 C ATOM 1611 OG1 THR A 102 -5.917 14.561 -2.930 1.00 21.41 O ATOM 1612 CG2 THR A 102 -6.959 12.540 -2.074 1.00 34.34 C ATOM 0 H THR A 102 -5.508 16.129 -0.834 1.00 52.12 H new ATOM 0 HA THR A 102 -8.074 15.035 -1.366 1.00 74.30 H new ATOM 0 HB THR A 102 -5.374 13.635 -1.130 1.00 72.22 H new ATOM 0 HG1 THR A 102 -5.335 15.322 -2.722 1.00 21.41 H new ATOM 0 HG21 THR A 102 -6.293 11.937 -2.691 1.00 34.34 H new ATOM 0 HG22 THR A 102 -7.199 11.996 -1.160 1.00 34.34 H new ATOM 0 HG23 THR A 102 -7.877 12.746 -2.625 1.00 34.34 H new ATOM 1620 N TYR A 103 -6.600 14.115 1.474 1.00 62.24 N ATOM 1621 CA TYR A 103 -6.818 13.568 2.832 1.00 34.35 C ATOM 1622 C TYR A 103 -8.010 14.252 3.564 1.00 11.23 C ATOM 1623 O TYR A 103 -8.845 13.577 4.160 1.00 62.34 O ATOM 1624 CB TYR A 103 -5.509 13.704 3.669 1.00 33.55 C ATOM 1625 CG TYR A 103 -5.669 13.317 5.150 1.00 61.41 C ATOM 1626 CD1 TYR A 103 -5.735 11.985 5.544 1.00 61.44 C ATOM 1627 CD2 TYR A 103 -5.811 14.293 6.147 1.00 34.33 C ATOM 1628 CE1 TYR A 103 -5.940 11.641 6.865 1.00 54.23 C ATOM 1629 CE2 TYR A 103 -6.005 13.953 7.466 1.00 52.12 C ATOM 1630 CZ TYR A 103 -6.076 12.625 7.819 1.00 15.24 C ATOM 1631 OH TYR A 103 -6.300 12.277 9.133 1.00 43.45 O ATOM 0 H TYR A 103 -5.675 14.525 1.346 1.00 62.24 H new ATOM 0 HA TYR A 103 -7.078 12.515 2.727 1.00 34.35 H new ATOM 0 HB2 TYR A 103 -4.737 13.077 3.222 1.00 33.55 H new ATOM 0 HB3 TYR A 103 -5.157 14.734 3.609 1.00 33.55 H new ATOM 0 HD1 TYR A 103 -5.624 11.206 4.804 1.00 61.44 H new ATOM 0 HD2 TYR A 103 -5.767 15.337 5.873 1.00 34.33 H new ATOM 0 HE1 TYR A 103 -5.994 10.601 7.150 1.00 54.23 H new ATOM 0 HE2 TYR A 103 -6.101 14.722 8.218 1.00 52.12 H new ATOM 0 HH TYR A 103 -5.523 11.792 9.480 1.00 43.45 H new ATOM 1641 N HIS A 104 -8.062 15.593 3.541 1.00 43.21 N ATOM 1642 CA HIS A 104 -9.106 16.360 4.270 1.00 63.23 C ATOM 1643 C HIS A 104 -10.492 16.307 3.561 1.00 71.35 C ATOM 1644 O HIS A 104 -11.529 16.235 4.234 1.00 62.03 O ATOM 1645 CB HIS A 104 -8.641 17.826 4.503 1.00 61.13 C ATOM 1646 CG HIS A 104 -7.597 17.976 5.589 1.00 30.14 C ATOM 1647 ND1 HIS A 104 -6.260 17.755 5.593 1.00 14.54 N flip ATOM 1648 CD2 HIS A 104 -7.901 18.397 6.868 1.00 42.51 C flip ATOM 1649 CE1 HIS A 104 -5.800 18.041 6.854 1.00 45.24 C flip ATOM 1650 NE2 HIS A 104 -6.807 18.425 7.599 1.00 11.12 N flip ATOM 0 H HIS A 104 -7.399 16.175 3.029 1.00 43.21 H new ATOM 0 HA HIS A 104 -9.242 15.882 5.240 1.00 63.23 H new ATOM 0 HB2 HIS A 104 -8.239 18.221 3.570 1.00 61.13 H new ATOM 0 HB3 HIS A 104 -9.508 18.435 4.760 1.00 61.13 H new ATOM 0 HD1 HIS A 104 -5.699 17.435 4.804 1.00 14.54 H new ATOM 0 HD2 HIS A 104 -8.888 18.663 7.216 1.00 42.51 H new ATOM 0 HE1 HIS A 104 -4.773 17.962 7.180 1.00 45.24 H new ATOM 1659 N SER A 105 -10.505 16.348 2.216 1.00 4.14 N ATOM 1660 CA SER A 105 -11.772 16.383 1.430 1.00 20.34 C ATOM 1661 C SER A 105 -12.364 14.973 1.160 1.00 21.13 C ATOM 1662 O SER A 105 -13.585 14.786 1.203 1.00 41.40 O ATOM 1663 CB SER A 105 -11.529 17.110 0.084 1.00 41.45 C ATOM 1664 OG SER A 105 -12.685 17.103 -0.744 1.00 63.54 O ATOM 0 H SER A 105 -9.661 16.358 1.644 1.00 4.14 H new ATOM 0 HA SER A 105 -12.502 16.923 2.033 1.00 20.34 H new ATOM 0 HB2 SER A 105 -11.229 18.140 0.278 1.00 41.45 H new ATOM 0 HB3 SER A 105 -10.704 16.631 -0.442 1.00 41.45 H new ATOM 0 HG SER A 105 -12.490 17.572 -1.582 1.00 63.54 H new ATOM 1670 N HIS A 106 -11.497 13.981 0.884 1.00 12.33 N ATOM 1671 CA HIS A 106 -11.936 12.599 0.510 1.00 25.35 C ATOM 1672 C HIS A 106 -11.635 11.540 1.605 1.00 45.43 C ATOM 1673 O HIS A 106 -12.172 10.425 1.551 1.00 3.32 O ATOM 1674 CB HIS A 106 -11.269 12.189 -0.832 1.00 34.44 C ATOM 1675 CG HIS A 106 -11.746 12.965 -2.035 1.00 42.34 C ATOM 1676 ND1 HIS A 106 -12.524 12.406 -3.028 1.00 1.31 N ATOM 1677 CD2 HIS A 106 -11.545 14.253 -2.406 1.00 33.25 C ATOM 1678 CE1 HIS A 106 -12.778 13.310 -3.947 1.00 55.44 C ATOM 1679 NE2 HIS A 106 -12.201 14.437 -3.599 1.00 44.45 N ATOM 0 H HIS A 106 -10.484 14.099 0.910 1.00 12.33 H new ATOM 0 HA HIS A 106 -13.020 12.626 0.402 1.00 25.35 H new ATOM 0 HB2 HIS A 106 -10.190 12.315 -0.740 1.00 34.44 H new ATOM 0 HB3 HIS A 106 -11.452 11.128 -1.004 1.00 34.44 H new ATOM 0 HD2 HIS A 106 -10.976 14.995 -1.865 1.00 33.25 H new ATOM 0 HE1 HIS A 106 -13.364 13.152 -4.840 1.00 55.44 H new ATOM 0 HE2 HIS A 106 -12.234 15.308 -4.129 1.00 44.45 H new ATOM 1688 N GLY A 107 -10.773 11.885 2.578 1.00 14.03 N ATOM 1689 CA GLY A 107 -10.451 10.983 3.702 1.00 32.42 C ATOM 1690 C GLY A 107 -9.094 10.278 3.572 1.00 74.05 C ATOM 1691 O GLY A 107 -8.478 10.284 2.497 1.00 23.20 O ATOM 0 H GLY A 107 -10.286 12.781 2.610 1.00 14.03 H new ATOM 0 HA2 GLY A 107 -10.463 11.557 4.629 1.00 32.42 H new ATOM 0 HA3 GLY A 107 -11.234 10.229 3.784 1.00 32.42 H new ATOM 1695 N TYR A 108 -8.640 9.673 4.695 1.00 22.32 N ATOM 1696 CA TYR A 108 -7.388 8.872 4.764 1.00 33.11 C ATOM 1697 C TYR A 108 -7.375 7.743 3.714 1.00 0.45 C ATOM 1698 O TYR A 108 -6.385 7.554 2.998 1.00 63.14 O ATOM 1699 CB TYR A 108 -7.240 8.273 6.194 1.00 74.11 C ATOM 1700 CG TYR A 108 -6.010 7.358 6.409 1.00 51.23 C ATOM 1701 CD1 TYR A 108 -4.758 7.892 6.734 1.00 33.41 C ATOM 1702 CD2 TYR A 108 -6.103 5.960 6.283 1.00 32.12 C ATOM 1703 CE1 TYR A 108 -3.658 7.075 6.924 1.00 1.11 C ATOM 1704 CE2 TYR A 108 -5.003 5.144 6.470 1.00 53.42 C ATOM 1705 CZ TYR A 108 -3.784 5.704 6.790 1.00 40.15 C ATOM 1706 OH TYR A 108 -2.684 4.891 6.980 1.00 54.35 O ATOM 0 H TYR A 108 -9.133 9.726 5.586 1.00 22.32 H new ATOM 0 HA TYR A 108 -6.547 9.531 4.547 1.00 33.11 H new ATOM 0 HB2 TYR A 108 -7.190 9.094 6.909 1.00 74.11 H new ATOM 0 HB3 TYR A 108 -8.140 7.703 6.425 1.00 74.11 H new ATOM 0 HD1 TYR A 108 -4.649 8.961 6.838 1.00 33.41 H new ATOM 0 HD2 TYR A 108 -7.055 5.514 6.035 1.00 32.12 H new ATOM 0 HE1 TYR A 108 -2.701 7.507 7.177 1.00 1.11 H new ATOM 0 HE2 TYR A 108 -5.098 4.073 6.366 1.00 53.42 H new ATOM 0 HH TYR A 108 -2.698 4.163 6.324 1.00 54.35 H new ATOM 1716 N ASP A 109 -8.496 7.008 3.642 1.00 60.02 N ATOM 1717 CA ASP A 109 -8.629 5.833 2.769 1.00 20.03 C ATOM 1718 C ASP A 109 -8.512 6.194 1.274 1.00 20.41 C ATOM 1719 O ASP A 109 -7.786 5.532 0.535 1.00 1.44 O ATOM 1720 CB ASP A 109 -9.943 5.078 3.077 1.00 31.42 C ATOM 1721 CG ASP A 109 -11.202 5.941 2.893 1.00 55.22 C ATOM 1722 OD1 ASP A 109 -11.554 6.695 3.822 1.00 62.02 O ATOM 1723 OD2 ASP A 109 -11.831 5.878 1.816 1.00 31.23 O ATOM 0 H ASP A 109 -9.334 7.212 4.187 1.00 60.02 H new ATOM 0 HA ASP A 109 -7.794 5.167 2.984 1.00 20.03 H new ATOM 0 HB2 ASP A 109 -10.012 4.205 2.428 1.00 31.42 H new ATOM 0 HB3 ASP A 109 -9.910 4.711 4.103 1.00 31.42 H new ATOM 1728 N ALA A 110 -9.199 7.267 0.852 1.00 41.54 N ATOM 1729 CA ALA A 110 -9.191 7.719 -0.554 1.00 51.25 C ATOM 1730 C ALA A 110 -7.812 8.282 -0.975 1.00 23.14 C ATOM 1731 O ALA A 110 -7.415 8.141 -2.143 1.00 0.41 O ATOM 1732 CB ALA A 110 -10.284 8.757 -0.771 1.00 73.24 C ATOM 0 H ALA A 110 -9.772 7.844 1.468 1.00 41.54 H new ATOM 0 HA ALA A 110 -9.388 6.852 -1.184 1.00 51.25 H new ATOM 0 HB1 ALA A 110 -10.272 9.086 -1.810 1.00 73.24 H new ATOM 0 HB2 ALA A 110 -11.254 8.317 -0.541 1.00 73.24 H new ATOM 0 HB3 ALA A 110 -10.109 9.612 -0.118 1.00 73.24 H new ATOM 1738 N ASP A 111 -7.095 8.920 -0.018 1.00 75.41 N ATOM 1739 CA ASP A 111 -5.712 9.391 -0.248 1.00 34.41 C ATOM 1740 C ASP A 111 -4.783 8.194 -0.557 1.00 12.22 C ATOM 1741 O ASP A 111 -4.084 8.198 -1.558 1.00 11.33 O ATOM 1742 CB ASP A 111 -5.181 10.203 0.965 1.00 65.51 C ATOM 1743 CG ASP A 111 -3.771 10.771 0.709 1.00 72.54 C ATOM 1744 OD1 ASP A 111 -3.645 11.648 -0.176 1.00 73.55 O ATOM 1745 OD2 ASP A 111 -2.787 10.314 1.345 1.00 32.41 O ATOM 0 H ASP A 111 -7.452 9.119 0.917 1.00 75.41 H new ATOM 0 HA ASP A 111 -5.721 10.058 -1.110 1.00 34.41 H new ATOM 0 HB2 ASP A 111 -5.867 11.022 1.181 1.00 65.51 H new ATOM 0 HB3 ASP A 111 -5.159 9.564 1.847 1.00 65.51 H new ATOM 1750 N ILE A 112 -4.840 7.159 0.296 1.00 1.42 N ATOM 1751 CA ILE A 112 -4.107 5.882 0.090 1.00 71.22 C ATOM 1752 C ILE A 112 -4.498 5.204 -1.261 1.00 41.25 C ATOM 1753 O ILE A 112 -3.632 4.740 -2.019 1.00 34.12 O ATOM 1754 CB ILE A 112 -4.398 4.891 1.285 1.00 43.22 C ATOM 1755 CG1 ILE A 112 -3.835 5.446 2.642 1.00 45.34 C ATOM 1756 CG2 ILE A 112 -3.880 3.457 0.999 1.00 14.34 C ATOM 1757 CD1 ILE A 112 -2.320 5.549 2.720 1.00 50.03 C ATOM 0 H ILE A 112 -5.394 7.176 1.152 1.00 1.42 H new ATOM 0 HA ILE A 112 -3.043 6.115 0.056 1.00 71.22 H new ATOM 0 HB ILE A 112 -5.482 4.821 1.380 1.00 43.22 H new ATOM 0 HG12 ILE A 112 -4.260 6.435 2.816 1.00 45.34 H new ATOM 0 HG13 ILE A 112 -4.182 4.803 3.451 1.00 45.34 H new ATOM 0 HG21 ILE A 112 -4.104 2.813 1.850 1.00 14.34 H new ATOM 0 HG22 ILE A 112 -4.370 3.064 0.108 1.00 14.34 H new ATOM 0 HG23 ILE A 112 -2.802 3.485 0.838 1.00 14.34 H new ATOM 0 HD11 ILE A 112 -2.032 5.942 3.695 1.00 50.03 H new ATOM 0 HD12 ILE A 112 -1.881 4.561 2.583 1.00 50.03 H new ATOM 0 HD13 ILE A 112 -1.960 6.218 1.938 1.00 50.03 H new ATOM 1769 N ASN A 113 -5.811 5.191 -1.549 1.00 13.44 N ATOM 1770 CA ASN A 113 -6.380 4.528 -2.744 1.00 5.35 C ATOM 1771 C ASN A 113 -5.933 5.195 -4.058 1.00 54.04 C ATOM 1772 O ASN A 113 -5.841 4.513 -5.062 1.00 42.45 O ATOM 1773 CB ASN A 113 -7.932 4.468 -2.668 1.00 32.45 C ATOM 1774 CG ASN A 113 -8.480 3.364 -1.745 1.00 22.15 C ATOM 1775 OD1 ASN A 113 -7.785 3.032 -0.666 1.00 53.50 O flip ATOM 1776 ND2 ASN A 113 -9.546 2.813 -1.997 1.00 72.04 N flip ATOM 0 H ASN A 113 -6.513 5.640 -0.960 1.00 13.44 H new ATOM 0 HA ASN A 113 -5.989 3.510 -2.747 1.00 5.35 H new ATOM 0 HB2 ASN A 113 -8.305 5.432 -2.322 1.00 32.45 H new ATOM 0 HB3 ASN A 113 -8.327 4.315 -3.672 1.00 32.45 H new ATOM 0 HD21 ASN A 113 -10.072 3.077 -2.830 1.00 72.04 H new ATOM 0 HD22 ASN A 113 -9.907 2.091 -1.373 1.00 72.04 H new ATOM 1783 N SER A 114 -5.662 6.523 -4.050 1.00 15.30 N ATOM 1784 CA SER A 114 -5.222 7.256 -5.279 1.00 22.21 C ATOM 1785 C SER A 114 -3.894 6.693 -5.850 1.00 60.11 C ATOM 1786 O SER A 114 -3.690 6.681 -7.068 1.00 52.30 O ATOM 1787 CB SER A 114 -5.082 8.782 -5.023 1.00 33.14 C ATOM 1788 OG SER A 114 -3.991 9.088 -4.167 1.00 73.34 O ATOM 0 H SER A 114 -5.737 7.110 -3.219 1.00 15.30 H new ATOM 0 HA SER A 114 -6.005 7.100 -6.021 1.00 22.21 H new ATOM 0 HB2 SER A 114 -4.950 9.297 -5.975 1.00 33.14 H new ATOM 0 HB3 SER A 114 -6.004 9.160 -4.582 1.00 33.14 H new ATOM 0 HG SER A 114 -4.166 8.727 -3.273 1.00 73.34 H new ATOM 1794 N TYR A 115 -3.019 6.201 -4.948 1.00 75.22 N ATOM 1795 CA TYR A 115 -1.723 5.583 -5.323 1.00 13.30 C ATOM 1796 C TYR A 115 -1.941 4.160 -5.902 1.00 64.12 C ATOM 1797 O TYR A 115 -1.286 3.765 -6.867 1.00 1.12 O ATOM 1798 CB TYR A 115 -0.784 5.493 -4.087 1.00 65.42 C ATOM 1799 CG TYR A 115 -0.425 6.841 -3.428 1.00 52.41 C ATOM 1800 CD1 TYR A 115 -1.371 7.559 -2.706 1.00 32.44 C ATOM 1801 CD2 TYR A 115 0.860 7.386 -3.516 1.00 31.10 C ATOM 1802 CE1 TYR A 115 -1.061 8.761 -2.103 1.00 54.42 C ATOM 1803 CE2 TYR A 115 1.173 8.591 -2.914 1.00 11.31 C ATOM 1804 CZ TYR A 115 0.212 9.274 -2.211 1.00 62.42 C ATOM 1805 OH TYR A 115 0.522 10.473 -1.603 1.00 54.43 O ATOM 0 H TYR A 115 -3.187 6.219 -3.942 1.00 75.22 H new ATOM 0 HA TYR A 115 -1.261 6.213 -6.083 1.00 13.30 H new ATOM 0 HB2 TYR A 115 -1.257 4.857 -3.339 1.00 65.42 H new ATOM 0 HB3 TYR A 115 0.139 4.998 -4.389 1.00 65.42 H new ATOM 0 HD1 TYR A 115 -2.373 7.167 -2.615 1.00 32.44 H new ATOM 0 HD2 TYR A 115 1.623 6.855 -4.065 1.00 31.10 H new ATOM 0 HE1 TYR A 115 -1.816 9.298 -1.547 1.00 54.42 H new ATOM 0 HE2 TYR A 115 2.172 8.994 -2.997 1.00 11.31 H new ATOM 0 HH TYR A 115 1.315 10.860 -2.029 1.00 54.43 H new ATOM 1815 N ILE A 116 -2.894 3.419 -5.303 1.00 43.11 N ATOM 1816 CA ILE A 116 -3.200 2.015 -5.681 1.00 41.33 C ATOM 1817 C ILE A 116 -4.000 1.938 -7.013 1.00 71.25 C ATOM 1818 O ILE A 116 -3.778 1.051 -7.848 1.00 44.05 O ATOM 1819 CB ILE A 116 -3.992 1.282 -4.534 1.00 11.21 C ATOM 1820 CG1 ILE A 116 -3.238 1.413 -3.163 1.00 33.34 C ATOM 1821 CG2 ILE A 116 -4.249 -0.211 -4.889 1.00 53.55 C ATOM 1822 CD1 ILE A 116 -1.879 0.721 -3.093 1.00 25.35 C ATOM 0 H ILE A 116 -3.476 3.772 -4.543 1.00 43.11 H new ATOM 0 HA ILE A 116 -2.246 1.509 -5.830 1.00 41.33 H new ATOM 0 HB ILE A 116 -4.962 1.769 -4.435 1.00 11.21 H new ATOM 0 HG12 ILE A 116 -3.099 2.472 -2.944 1.00 33.34 H new ATOM 0 HG13 ILE A 116 -3.875 1.006 -2.377 1.00 33.34 H new ATOM 0 HG21 ILE A 116 -4.798 -0.689 -4.077 1.00 53.55 H new ATOM 0 HG22 ILE A 116 -4.834 -0.271 -5.807 1.00 53.55 H new ATOM 0 HG23 ILE A 116 -3.296 -0.720 -5.032 1.00 53.55 H new ATOM 0 HD11 ILE A 116 -1.444 0.873 -2.105 1.00 25.35 H new ATOM 0 HD12 ILE A 116 -2.004 -0.346 -3.274 1.00 25.35 H new ATOM 0 HD13 ILE A 116 -1.217 1.142 -3.850 1.00 25.35 H new ATOM 1834 N ASP A 117 -4.903 2.904 -7.191 1.00 63.12 N ATOM 1835 CA ASP A 117 -5.819 2.988 -8.344 1.00 52.34 C ATOM 1836 C ASP A 117 -5.127 3.656 -9.568 1.00 71.44 C ATOM 1837 O ASP A 117 -5.640 3.597 -10.694 1.00 21.13 O ATOM 1838 CB ASP A 117 -7.089 3.768 -7.899 1.00 65.14 C ATOM 1839 CG ASP A 117 -8.164 3.883 -8.988 1.00 63.43 C ATOM 1840 OD1 ASP A 117 -8.886 2.896 -9.229 1.00 44.44 O ATOM 1841 OD2 ASP A 117 -8.277 4.957 -9.621 1.00 32.14 O ATOM 0 H ASP A 117 -5.025 3.669 -6.527 1.00 63.12 H new ATOM 0 HA ASP A 117 -6.104 1.987 -8.667 1.00 52.34 H new ATOM 0 HB2 ASP A 117 -7.520 3.274 -7.028 1.00 65.14 H new ATOM 0 HB3 ASP A 117 -6.796 4.770 -7.585 1.00 65.14 H new ATOM 1846 N SER A 118 -3.938 4.258 -9.344 1.00 64.51 N ATOM 1847 CA SER A 118 -3.157 4.926 -10.410 1.00 73.34 C ATOM 1848 C SER A 118 -2.720 3.915 -11.494 1.00 73.11 C ATOM 1849 O SER A 118 -2.271 2.812 -11.172 1.00 4.23 O ATOM 1850 CB SER A 118 -1.906 5.628 -9.818 1.00 41.40 C ATOM 1851 OG SER A 118 -1.121 6.236 -10.837 1.00 24.02 O ATOM 0 H SER A 118 -3.495 4.295 -8.426 1.00 64.51 H new ATOM 0 HA SER A 118 -3.802 5.676 -10.869 1.00 73.34 H new ATOM 0 HB2 SER A 118 -2.218 6.384 -9.097 1.00 41.40 H new ATOM 0 HB3 SER A 118 -1.301 4.901 -9.276 1.00 41.40 H new ATOM 0 HG SER A 118 -0.341 6.671 -10.433 1.00 24.02 H new ATOM 1857 N ALA A 119 -2.866 4.304 -12.780 1.00 22.01 N ATOM 1858 CA ALA A 119 -2.453 3.468 -13.936 1.00 65.30 C ATOM 1859 C ALA A 119 -0.920 3.290 -13.983 1.00 40.23 C ATOM 1860 O ALA A 119 -0.427 2.305 -14.525 1.00 71.12 O ATOM 1861 CB ALA A 119 -2.973 4.056 -15.261 1.00 55.22 C ATOM 0 H ALA A 119 -3.271 5.201 -13.048 1.00 22.01 H new ATOM 0 HA ALA A 119 -2.901 2.483 -13.802 1.00 65.30 H new ATOM 0 HB1 ALA A 119 -2.655 3.423 -16.090 1.00 55.22 H new ATOM 0 HB2 ALA A 119 -4.062 4.102 -15.236 1.00 55.22 H new ATOM 0 HB3 ALA A 119 -2.571 5.060 -15.396 1.00 55.22 H new ATOM 1867 N GLU A 120 -0.174 4.259 -13.413 1.00 32.14 N ATOM 1868 CA GLU A 120 1.293 4.144 -13.228 1.00 2.13 C ATOM 1869 C GLU A 120 1.650 2.889 -12.390 1.00 40.13 C ATOM 1870 O GLU A 120 2.507 2.094 -12.769 1.00 74.22 O ATOM 1871 CB GLU A 120 1.840 5.412 -12.515 1.00 54.34 C ATOM 1872 CG GLU A 120 3.333 5.341 -12.116 1.00 33.13 C ATOM 1873 CD GLU A 120 3.812 6.582 -11.351 1.00 51.52 C ATOM 1874 OE1 GLU A 120 3.418 6.756 -10.176 1.00 31.13 O ATOM 1875 OE2 GLU A 120 4.573 7.396 -11.917 1.00 22.54 O ATOM 0 H GLU A 120 -0.564 5.137 -13.070 1.00 32.14 H new ATOM 0 HA GLU A 120 1.751 4.049 -14.212 1.00 2.13 H new ATOM 0 HB2 GLU A 120 1.694 6.271 -13.170 1.00 54.34 H new ATOM 0 HB3 GLU A 120 1.247 5.591 -11.618 1.00 54.34 H new ATOM 0 HG2 GLU A 120 3.497 4.457 -11.500 1.00 33.13 H new ATOM 0 HG3 GLU A 120 3.938 5.220 -13.015 1.00 33.13 H new ATOM 1882 N TYR A 121 0.948 2.726 -11.264 1.00 74.21 N ATOM 1883 CA TYR A 121 1.185 1.627 -10.308 1.00 73.03 C ATOM 1884 C TYR A 121 0.599 0.282 -10.814 1.00 25.32 C ATOM 1885 O TYR A 121 1.300 -0.726 -10.874 1.00 61.03 O ATOM 1886 CB TYR A 121 0.571 2.019 -8.951 1.00 25.15 C ATOM 1887 CG TYR A 121 0.644 0.936 -7.870 1.00 21.30 C ATOM 1888 CD1 TYR A 121 1.857 0.369 -7.490 1.00 61.11 C ATOM 1889 CD2 TYR A 121 -0.500 0.496 -7.224 1.00 41.03 C ATOM 1890 CE1 TYR A 121 1.910 -0.592 -6.505 1.00 21.32 C ATOM 1891 CE2 TYR A 121 -0.448 -0.460 -6.242 1.00 12.42 C ATOM 1892 CZ TYR A 121 0.752 -1.003 -5.884 1.00 60.33 C ATOM 1893 OH TYR A 121 0.790 -1.958 -4.893 1.00 63.25 O ATOM 0 H TYR A 121 0.194 3.353 -10.984 1.00 74.21 H new ATOM 0 HA TYR A 121 2.259 1.475 -10.202 1.00 73.03 H new ATOM 0 HB2 TYR A 121 1.078 2.912 -8.584 1.00 25.15 H new ATOM 0 HB3 TYR A 121 -0.474 2.287 -9.106 1.00 25.15 H new ATOM 0 HD1 TYR A 121 2.769 0.687 -7.974 1.00 61.11 H new ATOM 0 HD2 TYR A 121 -1.456 0.916 -7.500 1.00 41.03 H new ATOM 0 HE1 TYR A 121 2.859 -1.023 -6.220 1.00 21.32 H new ATOM 0 HE2 TYR A 121 -1.355 -0.783 -5.753 1.00 12.42 H new ATOM 0 HH TYR A 121 0.854 -2.848 -5.299 1.00 63.25 H new ATOM 1903 N THR A 122 -0.697 0.305 -11.168 1.00 1.33 N ATOM 1904 CA THR A 122 -1.463 -0.892 -11.610 1.00 22.03 C ATOM 1905 C THR A 122 -0.844 -1.556 -12.863 1.00 72.13 C ATOM 1906 O THR A 122 -0.584 -2.755 -12.872 1.00 24.03 O ATOM 1907 CB THR A 122 -2.967 -0.514 -11.894 1.00 75.43 C ATOM 1908 OG1 THR A 122 -3.615 -0.122 -10.668 1.00 62.41 O ATOM 1909 CG2 THR A 122 -3.767 -1.659 -12.562 1.00 40.14 C ATOM 0 H THR A 122 -1.255 1.159 -11.158 1.00 1.33 H new ATOM 0 HA THR A 122 -1.417 -1.615 -10.795 1.00 22.03 H new ATOM 0 HB THR A 122 -2.952 0.317 -12.599 1.00 75.43 H new ATOM 0 HG1 THR A 122 -4.548 0.113 -10.852 1.00 62.41 H new ATOM 0 HG21 THR A 122 -4.794 -1.335 -12.731 1.00 40.14 H new ATOM 0 HG22 THR A 122 -3.306 -1.916 -13.516 1.00 40.14 H new ATOM 0 HG23 THR A 122 -3.765 -2.533 -11.910 1.00 40.14 H new ATOM 1917 N GLU A 123 -0.633 -0.764 -13.918 1.00 54.12 N ATOM 1918 CA GLU A 123 -0.109 -1.267 -15.206 1.00 42.31 C ATOM 1919 C GLU A 123 1.380 -1.743 -15.106 1.00 43.01 C ATOM 1920 O GLU A 123 1.753 -2.749 -15.718 1.00 11.44 O ATOM 1921 CB GLU A 123 -0.271 -0.154 -16.269 1.00 74.23 C ATOM 1922 CG GLU A 123 0.040 -0.553 -17.716 1.00 63.43 C ATOM 1923 CD GLU A 123 0.086 0.665 -18.659 1.00 45.35 C ATOM 1924 OE1 GLU A 123 1.152 1.309 -18.760 1.00 72.24 O ATOM 1925 OE2 GLU A 123 -0.950 1.004 -19.278 1.00 10.53 O ATOM 0 H GLU A 123 -0.817 0.239 -13.911 1.00 54.12 H new ATOM 0 HA GLU A 123 -0.682 -2.148 -15.495 1.00 42.31 H new ATOM 0 HB2 GLU A 123 -1.296 0.214 -16.227 1.00 74.23 H new ATOM 0 HB3 GLU A 123 0.377 0.678 -15.996 1.00 74.23 H new ATOM 0 HG2 GLU A 123 0.997 -1.073 -17.750 1.00 63.43 H new ATOM 0 HG3 GLU A 123 -0.716 -1.255 -18.068 1.00 63.43 H new ATOM 1932 N SER A 124 2.217 -1.021 -14.316 1.00 62.04 N ATOM 1933 CA SER A 124 3.686 -1.312 -14.208 1.00 64.04 C ATOM 1934 C SER A 124 4.027 -2.431 -13.181 1.00 71.31 C ATOM 1935 O SER A 124 4.959 -3.210 -13.403 1.00 42.35 O ATOM 1936 CB SER A 124 4.467 -0.025 -13.835 1.00 13.14 C ATOM 1937 OG SER A 124 5.866 -0.251 -13.692 1.00 34.34 O ATOM 0 H SER A 124 1.909 -0.235 -13.744 1.00 62.04 H new ATOM 0 HA SER A 124 3.989 -1.674 -15.191 1.00 64.04 H new ATOM 0 HB2 SER A 124 4.302 0.730 -14.603 1.00 13.14 H new ATOM 0 HB3 SER A 124 4.071 0.377 -12.902 1.00 13.14 H new ATOM 0 HG SER A 124 6.311 0.590 -13.459 1.00 34.34 H new ATOM 1943 N PHE A 125 3.270 -2.514 -12.068 1.00 63.22 N ATOM 1944 CA PHE A 125 3.537 -3.499 -10.972 1.00 65.23 C ATOM 1945 C PHE A 125 2.497 -4.644 -10.942 1.00 71.22 C ATOM 1946 O PHE A 125 2.672 -5.617 -10.208 1.00 61.42 O ATOM 1947 CB PHE A 125 3.582 -2.777 -9.594 1.00 1.20 C ATOM 1948 CG PHE A 125 4.761 -1.810 -9.436 1.00 50.42 C ATOM 1949 CD1 PHE A 125 6.027 -2.280 -9.078 1.00 74.35 C ATOM 1950 CD2 PHE A 125 4.606 -0.434 -9.636 1.00 3.32 C ATOM 1951 CE1 PHE A 125 7.094 -1.414 -8.925 1.00 41.12 C ATOM 1952 CE2 PHE A 125 5.675 0.433 -9.487 1.00 40.33 C ATOM 1953 CZ PHE A 125 6.919 -0.057 -9.128 1.00 63.44 C ATOM 0 H PHE A 125 2.464 -1.914 -11.894 1.00 63.22 H new ATOM 0 HA PHE A 125 4.508 -3.950 -11.176 1.00 65.23 H new ATOM 0 HB2 PHE A 125 2.652 -2.226 -9.453 1.00 1.20 H new ATOM 0 HB3 PHE A 125 3.631 -3.526 -8.804 1.00 1.20 H new ATOM 0 HD1 PHE A 125 6.175 -3.338 -8.918 1.00 74.35 H new ATOM 0 HD2 PHE A 125 3.638 -0.042 -9.911 1.00 3.32 H new ATOM 0 HE1 PHE A 125 8.065 -1.797 -8.647 1.00 41.12 H new ATOM 0 HE2 PHE A 125 5.538 1.492 -9.651 1.00 40.33 H new ATOM 0 HZ PHE A 125 7.752 0.620 -9.007 1.00 63.44 H new ATOM 1963 N GLY A 126 1.430 -4.513 -11.747 1.00 13.04 N ATOM 1964 CA GLY A 126 0.371 -5.536 -11.852 1.00 72.40 C ATOM 1965 C GLY A 126 -0.470 -5.742 -10.578 1.00 52.23 C ATOM 1966 O GLY A 126 -0.215 -5.132 -9.535 1.00 71.13 O ATOM 0 H GLY A 126 1.275 -3.699 -12.342 1.00 13.04 H new ATOM 0 HA2 GLY A 126 -0.297 -5.262 -12.669 1.00 72.40 H new ATOM 0 HA3 GLY A 126 0.831 -6.486 -12.122 1.00 72.40 H new ATOM 1970 N ASP A 127 -1.506 -6.594 -10.687 1.00 41.14 N ATOM 1971 CA ASP A 127 -2.386 -6.959 -9.549 1.00 31.11 C ATOM 1972 C ASP A 127 -1.853 -8.179 -8.741 1.00 62.24 C ATOM 1973 O ASP A 127 -2.018 -8.231 -7.527 1.00 12.23 O ATOM 1974 CB ASP A 127 -3.856 -7.185 -10.031 1.00 51.04 C ATOM 1975 CG ASP A 127 -3.993 -7.966 -11.351 1.00 60.25 C ATOM 1976 OD1 ASP A 127 -3.230 -8.927 -11.585 1.00 32.32 O ATOM 1977 OD2 ASP A 127 -4.849 -7.596 -12.184 1.00 35.43 O ATOM 0 H ASP A 127 -1.761 -7.051 -11.563 1.00 41.14 H new ATOM 0 HA ASP A 127 -2.380 -6.114 -8.860 1.00 31.11 H new ATOM 0 HB2 ASP A 127 -4.400 -7.719 -9.252 1.00 51.04 H new ATOM 0 HB3 ASP A 127 -4.338 -6.214 -10.148 1.00 51.04 H new ATOM 1982 N ASN A 128 -1.218 -9.158 -9.409 1.00 74.20 N ATOM 1983 CA ASN A 128 -0.736 -10.407 -8.742 1.00 11.45 C ATOM 1984 C ASN A 128 0.771 -10.366 -8.396 1.00 11.45 C ATOM 1985 O ASN A 128 1.287 -11.310 -7.802 1.00 22.12 O ATOM 1986 CB ASN A 128 -1.058 -11.660 -9.602 1.00 40.22 C ATOM 1987 CG ASN A 128 -2.544 -12.027 -9.584 1.00 11.42 C ATOM 1988 OD1 ASN A 128 -3.012 -12.696 -8.672 1.00 12.31 O ATOM 1989 ND2 ASN A 128 -3.295 -11.607 -10.581 1.00 21.32 N ATOM 0 H ASN A 128 -1.021 -9.120 -10.409 1.00 74.20 H new ATOM 0 HA ASN A 128 -1.277 -10.474 -7.798 1.00 11.45 H new ATOM 0 HB2 ASN A 128 -0.746 -11.479 -10.631 1.00 40.22 H new ATOM 0 HB3 ASN A 128 -0.475 -12.505 -9.236 1.00 40.22 H new ATOM 0 HD21 ASN A 128 -4.288 -11.838 -10.604 1.00 21.32 H new ATOM 0 HD22 ASN A 128 -2.883 -11.051 -11.330 1.00 21.32 H new ATOM 1996 N VAL A 129 1.464 -9.273 -8.735 1.00 52.22 N ATOM 1997 CA VAL A 129 2.916 -9.124 -8.469 1.00 11.14 C ATOM 1998 C VAL A 129 3.149 -8.182 -7.266 1.00 64.42 C ATOM 1999 O VAL A 129 2.429 -7.187 -7.106 1.00 40.02 O ATOM 2000 CB VAL A 129 3.677 -8.585 -9.737 1.00 31.12 C ATOM 2001 CG1 VAL A 129 5.214 -8.575 -9.529 1.00 32.14 C ATOM 2002 CG2 VAL A 129 3.283 -9.383 -11.006 1.00 74.34 C ATOM 0 H VAL A 129 1.046 -8.467 -9.199 1.00 52.22 H new ATOM 0 HA VAL A 129 3.315 -10.110 -8.230 1.00 11.14 H new ATOM 0 HB VAL A 129 3.369 -7.550 -9.884 1.00 31.12 H new ATOM 0 HG11 VAL A 129 5.700 -8.196 -10.428 1.00 32.14 H new ATOM 0 HG12 VAL A 129 5.463 -7.933 -8.684 1.00 32.14 H new ATOM 0 HG13 VAL A 129 5.561 -9.589 -9.329 1.00 32.14 H new ATOM 0 HG21 VAL A 129 3.824 -8.989 -11.866 1.00 74.34 H new ATOM 0 HG22 VAL A 129 3.537 -10.434 -10.868 1.00 74.34 H new ATOM 0 HG23 VAL A 129 2.211 -9.288 -11.177 1.00 74.34 H new ATOM 2012 N VAL A 130 4.139 -8.515 -6.407 1.00 74.32 N ATOM 2013 CA VAL A 130 4.517 -7.683 -5.251 1.00 25.24 C ATOM 2014 C VAL A 130 5.419 -6.525 -5.748 1.00 52.14 C ATOM 2015 O VAL A 130 6.465 -6.782 -6.374 1.00 14.42 O ATOM 2016 CB VAL A 130 5.317 -8.511 -4.154 1.00 72.04 C ATOM 2017 CG1 VAL A 130 5.638 -7.650 -2.898 1.00 11.01 C ATOM 2018 CG2 VAL A 130 4.574 -9.810 -3.758 1.00 21.12 C ATOM 0 H VAL A 130 4.694 -9.366 -6.498 1.00 74.32 H new ATOM 0 HA VAL A 130 3.602 -7.310 -4.792 1.00 25.24 H new ATOM 0 HB VAL A 130 6.265 -8.798 -4.609 1.00 72.04 H new ATOM 0 HG11 VAL A 130 6.185 -8.253 -2.173 1.00 11.01 H new ATOM 0 HG12 VAL A 130 6.246 -6.794 -3.190 1.00 11.01 H new ATOM 0 HG13 VAL A 130 4.708 -7.299 -2.450 1.00 11.01 H new ATOM 0 HG21 VAL A 130 5.154 -10.346 -3.007 1.00 21.12 H new ATOM 0 HG22 VAL A 130 3.595 -9.559 -3.350 1.00 21.12 H new ATOM 0 HG23 VAL A 130 4.449 -10.441 -4.638 1.00 21.12 H new ATOM 2028 N PRO A 131 5.039 -5.240 -5.473 1.00 35.50 N ATOM 2029 CA PRO A 131 5.881 -4.059 -5.784 1.00 51.01 C ATOM 2030 C PRO A 131 7.188 -4.003 -4.955 1.00 70.42 C ATOM 2031 O PRO A 131 7.275 -4.554 -3.847 1.00 72.41 O ATOM 2032 CB PRO A 131 4.956 -2.851 -5.469 1.00 22.41 C ATOM 2033 CG PRO A 131 3.577 -3.434 -5.458 1.00 34.32 C ATOM 2034 CD PRO A 131 3.729 -4.827 -4.917 1.00 22.32 C ATOM 0 HA PRO A 131 6.229 -4.078 -6.817 1.00 51.01 H new ATOM 0 HB2 PRO A 131 5.205 -2.399 -4.509 1.00 22.41 H new ATOM 0 HB3 PRO A 131 5.052 -2.070 -6.223 1.00 22.41 H new ATOM 0 HG2 PRO A 131 2.907 -2.843 -4.834 1.00 34.32 H new ATOM 0 HG3 PRO A 131 3.150 -3.448 -6.461 1.00 34.32 H new ATOM 0 HD2 PRO A 131 3.727 -4.843 -3.827 1.00 22.32 H new ATOM 0 HD3 PRO A 131 2.922 -5.482 -5.247 1.00 22.32 H new ATOM 2042 N TYR A 132 8.199 -3.336 -5.520 1.00 1.24 N ATOM 2043 CA TYR A 132 9.551 -3.254 -4.937 1.00 13.41 C ATOM 2044 C TYR A 132 10.161 -1.851 -5.107 1.00 22.14 C ATOM 2045 O TYR A 132 9.744 -1.073 -5.977 1.00 72.02 O ATOM 2046 CB TYR A 132 10.461 -4.328 -5.600 1.00 23.44 C ATOM 2047 CG TYR A 132 10.429 -4.355 -7.151 1.00 42.02 C ATOM 2048 CD1 TYR A 132 11.158 -3.432 -7.919 1.00 51.03 C ATOM 2049 CD2 TYR A 132 9.682 -5.319 -7.844 1.00 21.21 C ATOM 2050 CE1 TYR A 132 11.143 -3.476 -9.300 1.00 51.44 C ATOM 2051 CE2 TYR A 132 9.665 -5.359 -9.226 1.00 61.31 C ATOM 2052 CZ TYR A 132 10.397 -4.439 -9.949 1.00 73.11 C ATOM 2053 OH TYR A 132 10.391 -4.486 -11.327 1.00 14.43 O ATOM 0 H TYR A 132 8.106 -2.832 -6.402 1.00 1.24 H new ATOM 0 HA TYR A 132 9.477 -3.444 -3.866 1.00 13.41 H new ATOM 0 HB2 TYR A 132 11.488 -4.160 -5.277 1.00 23.44 H new ATOM 0 HB3 TYR A 132 10.166 -5.310 -5.229 1.00 23.44 H new ATOM 0 HD1 TYR A 132 11.742 -2.673 -7.420 1.00 51.03 H new ATOM 0 HD2 TYR A 132 9.108 -6.045 -7.287 1.00 21.21 H new ATOM 0 HE1 TYR A 132 11.714 -2.758 -9.870 1.00 51.44 H new ATOM 0 HE2 TYR A 132 9.080 -6.108 -9.739 1.00 61.31 H new ATOM 0 HH TYR A 132 9.818 -5.222 -11.627 1.00 14.43 H new ATOM 2063 N PHE A 133 11.163 -1.543 -4.264 1.00 75.32 N ATOM 2064 CA PHE A 133 12.060 -0.399 -4.485 1.00 21.54 C ATOM 2065 C PHE A 133 13.140 -0.830 -5.506 1.00 51.54 C ATOM 2066 O PHE A 133 13.744 -1.908 -5.365 1.00 44.11 O ATOM 2067 CB PHE A 133 12.713 0.052 -3.145 1.00 45.24 C ATOM 2068 CG PHE A 133 13.475 1.388 -3.219 1.00 75.45 C ATOM 2069 CD1 PHE A 133 14.808 1.446 -3.643 1.00 3.53 C ATOM 2070 CD2 PHE A 133 12.852 2.589 -2.862 1.00 63.20 C ATOM 2071 CE1 PHE A 133 15.488 2.648 -3.711 1.00 71.32 C ATOM 2072 CE2 PHE A 133 13.536 3.791 -2.928 1.00 43.31 C ATOM 2073 CZ PHE A 133 14.853 3.823 -3.352 1.00 2.41 C ATOM 0 H PHE A 133 11.371 -2.075 -3.419 1.00 75.32 H new ATOM 0 HA PHE A 133 11.498 0.450 -4.874 1.00 21.54 H new ATOM 0 HB2 PHE A 133 11.934 0.135 -2.387 1.00 45.24 H new ATOM 0 HB3 PHE A 133 13.401 -0.725 -2.812 1.00 45.24 H new ATOM 0 HD1 PHE A 133 15.315 0.534 -3.922 1.00 3.53 H new ATOM 0 HD2 PHE A 133 11.824 2.578 -2.531 1.00 63.20 H new ATOM 0 HE1 PHE A 133 16.515 2.669 -4.044 1.00 71.32 H new ATOM 0 HE2 PHE A 133 13.039 4.708 -2.647 1.00 43.31 H new ATOM 0 HZ PHE A 133 15.383 4.763 -3.402 1.00 2.41 H new ATOM 2083 N ARG A 134 13.387 0.019 -6.510 1.00 30.44 N ATOM 2084 CA ARG A 134 14.329 -0.292 -7.601 1.00 53.33 C ATOM 2085 C ARG A 134 15.774 -0.037 -7.125 1.00 51.32 C ATOM 2086 O ARG A 134 16.236 1.108 -7.081 1.00 65.13 O ATOM 2087 CB ARG A 134 13.977 0.538 -8.868 1.00 63.40 C ATOM 2088 CG ARG A 134 12.497 0.415 -9.304 1.00 2.32 C ATOM 2089 CD ARG A 134 12.205 1.105 -10.650 1.00 53.13 C ATOM 2090 NE ARG A 134 12.877 0.419 -11.770 1.00 64.51 N ATOM 2091 CZ ARG A 134 12.949 0.855 -13.007 1.00 11.40 C ATOM 2092 NH1 ARG A 134 12.447 1.997 -13.356 1.00 75.00 N ATOM 2093 NH2 ARG A 134 13.545 0.131 -13.892 1.00 50.51 N ATOM 0 H ARG A 134 12.946 0.935 -6.593 1.00 30.44 H new ATOM 0 HA ARG A 134 14.246 -1.345 -7.871 1.00 53.33 H new ATOM 0 HB2 ARG A 134 14.204 1.587 -8.678 1.00 63.40 H new ATOM 0 HB3 ARG A 134 14.616 0.217 -9.690 1.00 63.40 H new ATOM 0 HG2 ARG A 134 12.233 -0.640 -9.378 1.00 2.32 H new ATOM 0 HG3 ARG A 134 11.860 0.850 -8.534 1.00 2.32 H new ATOM 0 HD2 ARG A 134 11.129 1.121 -10.825 1.00 53.13 H new ATOM 0 HD3 ARG A 134 12.536 2.143 -10.607 1.00 53.13 H new ATOM 0 HE ARG A 134 13.326 -0.474 -11.565 1.00 64.51 H new ATOM 0 HH11 ARG A 134 11.981 2.583 -12.663 1.00 75.00 H new ATOM 0 HH12 ARG A 134 12.517 2.311 -14.324 1.00 75.00 H new ATOM 0 HH21 ARG A 134 13.952 -0.766 -13.627 1.00 50.51 H new ATOM 0 HH22 ARG A 134 13.609 0.455 -14.857 1.00 50.51 H new ATOM 2107 N GLY A 135 16.451 -1.121 -6.710 1.00 5.32 N ATOM 2108 CA GLY A 135 17.795 -1.047 -6.121 1.00 2.43 C ATOM 2109 C GLY A 135 18.123 -2.268 -5.248 1.00 51.03 C ATOM 2110 O GLY A 135 19.276 -2.714 -5.189 1.00 72.22 O ATOM 0 H GLY A 135 16.082 -2.070 -6.774 1.00 5.32 H new ATOM 0 HA2 GLY A 135 18.534 -0.966 -6.918 1.00 2.43 H new ATOM 0 HA3 GLY A 135 17.875 -0.142 -5.519 1.00 2.43 H new ATOM 2114 N LEU A 136 17.092 -2.791 -4.553 1.00 34.22 N ATOM 2115 CA LEU A 136 17.187 -3.995 -3.687 1.00 42.40 C ATOM 2116 C LEU A 136 15.910 -4.860 -3.848 1.00 53.13 C ATOM 2117 O LEU A 136 15.308 -5.347 -2.880 1.00 43.12 O ATOM 2118 CB LEU A 136 17.451 -3.603 -2.191 1.00 12.32 C ATOM 2119 CG LEU A 136 16.364 -2.738 -1.443 1.00 55.55 C ATOM 2120 CD1 LEU A 136 16.586 -2.773 0.089 1.00 72.11 C ATOM 2121 CD2 LEU A 136 16.324 -1.276 -1.951 1.00 14.03 C ATOM 0 H LEU A 136 16.156 -2.387 -4.575 1.00 34.22 H new ATOM 0 HA LEU A 136 18.042 -4.592 -4.004 1.00 42.40 H new ATOM 0 HB2 LEU A 136 17.590 -4.524 -1.625 1.00 12.32 H new ATOM 0 HB3 LEU A 136 18.395 -3.059 -2.151 1.00 12.32 H new ATOM 0 HG LEU A 136 15.396 -3.186 -1.668 1.00 55.55 H new ATOM 0 HD11 LEU A 136 15.824 -2.169 0.581 1.00 72.11 H new ATOM 0 HD12 LEU A 136 16.518 -3.802 0.443 1.00 72.11 H new ATOM 0 HD13 LEU A 136 17.573 -2.373 0.323 1.00 72.11 H new ATOM 0 HD21 LEU A 136 15.560 -0.722 -1.405 1.00 14.03 H new ATOM 0 HD22 LEU A 136 17.295 -0.808 -1.791 1.00 14.03 H new ATOM 0 HD23 LEU A 136 16.088 -1.267 -3.015 1.00 14.03 H new ATOM 2133 N GLU A 137 15.557 -5.107 -5.123 1.00 53.02 N ATOM 2134 CA GLU A 137 14.309 -5.813 -5.535 1.00 60.33 C ATOM 2135 C GLU A 137 14.399 -7.368 -5.417 1.00 22.53 C ATOM 2136 O GLU A 137 13.756 -8.104 -6.181 1.00 13.45 O ATOM 2137 CB GLU A 137 13.897 -5.366 -6.983 1.00 2.30 C ATOM 2138 CG GLU A 137 14.849 -5.741 -8.152 1.00 41.34 C ATOM 2139 CD GLU A 137 16.224 -5.049 -8.094 1.00 44.42 C ATOM 2140 OE1 GLU A 137 16.272 -3.803 -8.057 1.00 21.03 O ATOM 2141 OE2 GLU A 137 17.261 -5.751 -8.044 1.00 74.10 O ATOM 0 H GLU A 137 16.133 -4.821 -5.915 1.00 53.02 H new ATOM 0 HA GLU A 137 13.530 -5.520 -4.832 1.00 60.33 H new ATOM 0 HB2 GLU A 137 12.917 -5.791 -7.199 1.00 2.30 H new ATOM 0 HB3 GLU A 137 13.781 -4.282 -6.979 1.00 2.30 H new ATOM 0 HG2 GLU A 137 14.998 -6.821 -8.152 1.00 41.34 H new ATOM 0 HG3 GLU A 137 14.366 -5.486 -9.095 1.00 41.34 H new ATOM 2148 N HIS A 138 15.146 -7.855 -4.411 1.00 41.23 N ATOM 2149 CA HIS A 138 15.275 -9.295 -4.109 1.00 4.04 C ATOM 2150 C HIS A 138 14.137 -9.742 -3.148 1.00 5.24 C ATOM 2151 O HIS A 138 13.882 -9.091 -2.134 1.00 32.33 O ATOM 2152 CB HIS A 138 16.658 -9.576 -3.463 1.00 63.53 C ATOM 2153 CG HIS A 138 17.826 -9.137 -4.307 1.00 74.13 C ATOM 2154 ND1 HIS A 138 18.593 -8.028 -4.020 1.00 1.44 N ATOM 2155 CD2 HIS A 138 18.344 -9.657 -5.441 1.00 70.13 C ATOM 2156 CE1 HIS A 138 19.526 -7.890 -4.937 1.00 14.21 C ATOM 2157 NE2 HIS A 138 19.400 -8.862 -5.810 1.00 32.44 N ATOM 0 H HIS A 138 15.681 -7.259 -3.780 1.00 41.23 H new ATOM 0 HA HIS A 138 15.195 -9.861 -5.037 1.00 4.04 H new ATOM 0 HB2 HIS A 138 16.708 -9.069 -2.499 1.00 63.53 H new ATOM 0 HB3 HIS A 138 16.746 -10.644 -3.266 1.00 63.53 H new ATOM 0 HD2 HIS A 138 17.992 -10.536 -5.961 1.00 70.13 H new ATOM 0 HE1 HIS A 138 20.271 -7.108 -4.967 1.00 14.21 H new ATOM 0 HE2 HIS A 138 19.991 -9.003 -6.629 1.00 32.44 H new ATOM 2166 N HIS A 139 13.443 -10.840 -3.498 1.00 41.41 N ATOM 2167 CA HIS A 139 12.362 -11.434 -2.664 1.00 2.42 C ATOM 2168 C HIS A 139 12.587 -12.959 -2.487 1.00 41.51 C ATOM 2169 O HIS A 139 11.673 -13.675 -2.062 1.00 55.21 O ATOM 2170 CB HIS A 139 10.983 -11.197 -3.336 1.00 64.33 C ATOM 2171 CG HIS A 139 10.582 -9.752 -3.501 1.00 53.44 C ATOM 2172 ND1 HIS A 139 10.753 -9.058 -4.680 1.00 13.01 N ATOM 2173 CD2 HIS A 139 9.980 -8.886 -2.646 1.00 65.34 C ATOM 2174 CE1 HIS A 139 10.275 -7.841 -4.548 1.00 61.35 C ATOM 2175 NE2 HIS A 139 9.798 -7.705 -3.329 1.00 54.44 N ATOM 0 H HIS A 139 13.610 -11.347 -4.367 1.00 41.41 H new ATOM 0 HA HIS A 139 12.381 -10.954 -1.686 1.00 2.42 H new ATOM 0 HB2 HIS A 139 10.991 -11.668 -4.319 1.00 64.33 H new ATOM 0 HB3 HIS A 139 10.219 -11.703 -2.746 1.00 64.33 H new ATOM 0 HD1 HIS A 139 11.184 -9.432 -5.525 1.00 13.01 H new ATOM 0 HD2 HIS A 139 9.697 -9.086 -1.623 1.00 65.34 H new ATOM 0 HE1 HIS A 139 10.274 -7.079 -5.313 1.00 61.35 H new ATOM 2184 N HIS A 140 13.829 -13.415 -2.787 1.00 42.43 N ATOM 2185 CA HIS A 140 14.182 -14.845 -2.993 1.00 14.01 C ATOM 2186 C HIS A 140 13.429 -15.435 -4.216 1.00 23.55 C ATOM 2187 O HIS A 140 14.028 -15.571 -5.295 1.00 60.21 O ATOM 2188 CB HIS A 140 13.981 -15.713 -1.713 1.00 15.41 C ATOM 2189 CG HIS A 140 14.954 -15.396 -0.608 1.00 44.00 C ATOM 2190 ND1 HIS A 140 14.677 -14.522 0.416 1.00 15.03 N ATOM 2191 CD2 HIS A 140 16.217 -15.836 -0.384 1.00 21.12 C ATOM 2192 CE1 HIS A 140 15.719 -14.437 1.216 1.00 5.21 C ATOM 2193 NE2 HIS A 140 16.668 -15.223 0.757 1.00 34.35 N ATOM 0 H HIS A 140 14.628 -12.790 -2.895 1.00 42.43 H new ATOM 0 HA HIS A 140 15.250 -14.876 -3.208 1.00 14.01 H new ATOM 0 HB2 HIS A 140 12.966 -15.570 -1.343 1.00 15.41 H new ATOM 0 HB3 HIS A 140 14.078 -16.765 -1.979 1.00 15.41 H new ATOM 0 HD2 HIS A 140 16.766 -16.539 -0.992 1.00 21.12 H new ATOM 0 HE1 HIS A 140 15.784 -13.823 2.102 1.00 5.21 H new ATOM 0 HE2 HIS A 140 17.587 -15.355 1.179 1.00 34.35 H new ATOM 2202 N HIS A 141 12.109 -15.740 -4.046 1.00 3.41 N ATOM 2203 CA HIS A 141 11.262 -16.366 -5.101 1.00 53.30 C ATOM 2204 C HIS A 141 11.920 -17.687 -5.600 1.00 2.23 C ATOM 2205 O HIS A 141 12.002 -17.973 -6.800 1.00 64.45 O ATOM 2206 CB HIS A 141 10.985 -15.340 -6.249 1.00 22.03 C ATOM 2207 CG HIS A 141 9.921 -15.760 -7.244 1.00 71.23 C ATOM 2208 ND1 HIS A 141 10.167 -16.607 -8.297 1.00 60.05 N ATOM 2209 CD2 HIS A 141 8.612 -15.430 -7.347 1.00 1.13 C ATOM 2210 CE1 HIS A 141 9.070 -16.776 -8.998 1.00 54.10 C ATOM 2211 NE2 HIS A 141 8.109 -16.075 -8.447 1.00 35.41 N ATOM 0 H HIS A 141 11.606 -15.559 -3.177 1.00 3.41 H new ATOM 0 HA HIS A 141 10.291 -16.638 -4.687 1.00 53.30 H new ATOM 0 HB2 HIS A 141 10.689 -14.391 -5.803 1.00 22.03 H new ATOM 0 HB3 HIS A 141 11.915 -15.162 -6.789 1.00 22.03 H new ATOM 0 HD1 HIS A 141 11.067 -17.040 -8.503 1.00 60.05 H new ATOM 0 HD2 HIS A 141 8.064 -14.777 -6.683 1.00 1.13 H new ATOM 0 HE1 HIS A 141 8.975 -17.390 -9.881 1.00 54.10 H new ATOM 2220 N HIS A 142 12.388 -18.486 -4.622 1.00 11.14 N ATOM 2221 CA HIS A 142 13.129 -19.744 -4.858 1.00 72.41 C ATOM 2222 C HIS A 142 12.258 -20.784 -5.615 1.00 33.13 C ATOM 2223 O HIS A 142 12.774 -21.593 -6.391 1.00 13.00 O ATOM 2224 CB HIS A 142 13.598 -20.310 -3.490 1.00 41.44 C ATOM 2225 CG HIS A 142 14.630 -21.408 -3.566 1.00 72.50 C ATOM 2226 ND1 HIS A 142 14.592 -22.544 -2.784 1.00 43.31 N ATOM 2227 CD2 HIS A 142 15.766 -21.508 -4.302 1.00 2.42 C ATOM 2228 CE1 HIS A 142 15.653 -23.284 -3.029 1.00 52.34 C ATOM 2229 NE2 HIS A 142 16.377 -22.682 -3.944 1.00 3.41 N ATOM 0 H HIS A 142 12.261 -18.275 -3.632 1.00 11.14 H new ATOM 0 HA HIS A 142 13.994 -19.535 -5.488 1.00 72.41 H new ATOM 0 HB2 HIS A 142 14.006 -19.491 -2.897 1.00 41.44 H new ATOM 0 HB3 HIS A 142 12.727 -20.689 -2.954 1.00 41.44 H new ATOM 0 HD2 HIS A 142 16.122 -20.796 -5.032 1.00 2.42 H new ATOM 0 HE1 HIS A 142 15.888 -24.227 -2.557 1.00 52.34 H new ATOM 0 HE2 HIS A 142 17.255 -23.032 -4.328 1.00 3.41 H new ATOM 2238 N HIS A 143 10.932 -20.730 -5.370 1.00 15.01 N ATOM 2239 CA HIS A 143 9.941 -21.607 -6.027 1.00 4.32 C ATOM 2240 C HIS A 143 8.520 -21.013 -5.921 1.00 44.53 C ATOM 2241 O HIS A 143 8.331 -19.797 -5.981 1.00 41.31 O ATOM 2242 CB HIS A 143 10.000 -23.048 -5.441 1.00 22.43 C ATOM 2243 CG HIS A 143 9.672 -23.172 -3.970 1.00 32.32 C ATOM 2244 ND1 HIS A 143 8.687 -24.007 -3.497 1.00 53.13 N ATOM 2245 CD2 HIS A 143 10.224 -22.598 -2.870 1.00 21.11 C ATOM 2246 CE1 HIS A 143 8.644 -23.943 -2.189 1.00 2.54 C ATOM 2247 NE2 HIS A 143 9.563 -23.098 -1.776 1.00 34.54 N ATOM 0 H HIS A 143 10.517 -20.074 -4.708 1.00 15.01 H new ATOM 0 HA HIS A 143 10.193 -21.670 -7.086 1.00 4.32 H new ATOM 0 HB2 HIS A 143 9.310 -23.677 -6.003 1.00 22.43 H new ATOM 0 HB3 HIS A 143 11.001 -23.447 -5.606 1.00 22.43 H new ATOM 0 HD2 HIS A 143 11.032 -21.882 -2.858 1.00 21.11 H new ATOM 0 HE1 HIS A 143 7.965 -24.494 -1.554 1.00 2.54 H new ATOM 0 HE2 HIS A 143 9.753 -22.855 -0.804 1.00 34.54 H new TER 2256 HIS A 143