USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1004 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 67 CYS SG : rot -79:sc= -6.92! USER MOD Set 1.2: A 91 CYS SG : rot -86:sc= -0.712 USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 1.31 USER MOD Set 2.2: A 14 THR OG1 : rot 74:sc= 1.21 USER MOD Set 3.1: A 7 TYR OH : rot 30:sc= -1.41 USER MOD Set 3.2: A 38 LYS NZ :NH3+ -151:sc= 0.628 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -57:sc= 1.15 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.963 F(o=-6.5!,f=-0.96) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-6.4!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -4.14 K(o=-4.1,f=-5.9!) USER MOD Single : A 75 ASN : amide:sc=-0.00273 K(o=-0.0027,f=-1.3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.21) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.59 USER MOD Single : A 93 ASN :FLIP amide:sc= -4.9! C(o=-6.7!,f=-4.9!) USER MOD Single : A 94 CYS SG : rot 153:sc= 0.215 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.26) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -168:sc= -0.0141 (180deg=-0.158) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.041) USER MOD Single : A 125 ASN : amide:sc= -0.017 K(o=-0.017,f=-1.4!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= -2.72! USER MOD Single : A 135 SER OG : rot 62:sc= 0.0111 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 TYR OH : rot 9:sc= -3.85! USER MOD Single : A 143 ASN : amide:sc= -5.33! C(o=-5.3!,f=-8.6!) USER MOD Single : A 144 HIS :FLIP no HD1:sc= -3.12! C(o=-5.4!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 38 N GLU A 4 14.989 -0.396 -14.259 1.00 0.00 N ATOM 39 CA GLU A 4 14.969 0.989 -13.804 1.00 0.00 C ATOM 40 C GLU A 4 13.538 1.501 -13.641 1.00 0.00 C ATOM 41 O GLU A 4 13.311 2.561 -13.058 1.00 0.00 O ATOM 42 CB GLU A 4 15.733 1.880 -14.786 1.00 0.00 C ATOM 43 CG GLU A 4 17.235 1.645 -14.777 1.00 0.00 C ATOM 44 CD GLU A 4 17.971 2.536 -15.760 1.00 0.00 C ATOM 45 OE1 GLU A 4 18.535 3.560 -15.323 1.00 0.00 O ATOM 46 OE2 GLU A 4 17.982 2.208 -16.965 1.00 0.00 O ATOM 0 HA GLU A 4 15.456 1.027 -12.829 1.00 0.00 H new ATOM 0 HB2 GLU A 4 15.352 1.707 -15.793 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.535 2.925 -14.546 1.00 0.00 H new ATOM 0 HG2 GLU A 4 17.621 1.822 -13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 4 17.437 0.601 -15.017 1.00 0.00 H new ATOM 54 N ASN A 5 12.573 0.738 -14.158 1.00 0.00 N ATOM 55 CA ASN A 5 11.171 1.124 -14.068 1.00 0.00 C ATOM 56 C ASN A 5 10.716 1.228 -12.617 1.00 0.00 C ATOM 57 O ASN A 5 9.965 2.135 -12.256 1.00 0.00 O ATOM 58 CB ASN A 5 10.297 0.098 -14.802 1.00 0.00 C ATOM 59 CG ASN A 5 10.477 0.162 -16.306 1.00 0.00 C ATOM 60 OD1 ASN A 5 10.724 -0.852 -16.958 1.00 0.00 O ATOM 61 ND2 ASN A 5 10.354 1.361 -16.864 1.00 0.00 N ATOM 0 H ASN A 5 12.739 -0.145 -14.640 1.00 0.00 H new ATOM 0 HA ASN A 5 11.064 2.103 -14.534 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.544 -0.904 -14.451 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.250 0.273 -14.556 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.465 1.468 -17.872 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.149 2.175 -16.284 1.00 0.00 H new ATOM 68 N TYR A 6 11.199 0.316 -11.781 1.00 0.00 N ATOM 69 CA TYR A 6 10.835 0.307 -10.370 1.00 0.00 C ATOM 70 C TYR A 6 12.075 0.497 -9.496 1.00 0.00 C ATOM 71 O TYR A 6 13.136 -0.060 -9.777 1.00 0.00 O ATOM 72 CB TYR A 6 10.134 -0.998 -10.000 1.00 0.00 C ATOM 73 CG TYR A 6 10.990 -2.228 -10.213 1.00 0.00 C ATOM 74 CD1 TYR A 6 10.986 -2.899 -11.430 1.00 0.00 C ATOM 75 CD2 TYR A 6 11.802 -2.716 -9.198 1.00 0.00 C ATOM 76 CE1 TYR A 6 11.764 -4.022 -11.627 1.00 0.00 C ATOM 77 CE2 TYR A 6 12.585 -3.839 -9.388 1.00 0.00 C ATOM 78 CZ TYR A 6 12.564 -4.487 -10.605 1.00 0.00 C ATOM 79 OH TYR A 6 13.344 -5.606 -10.798 1.00 0.00 O ATOM 0 H TYR A 6 11.843 -0.426 -12.056 1.00 0.00 H new ATOM 0 HA TYR A 6 10.148 1.134 -10.194 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.831 -0.954 -8.954 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.224 -1.092 -10.592 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.364 -2.536 -12.235 1.00 0.00 H new ATOM 0 HD2 TYR A 6 11.822 -2.210 -8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.746 -4.534 -12.578 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.210 -4.207 -8.588 1.00 0.00 H new ATOM 0 HH TYR A 6 13.848 -5.799 -9.980 1.00 0.00 H new ATOM 89 N TYR A 7 11.927 1.284 -8.436 1.00 0.00 N ATOM 90 CA TYR A 7 13.030 1.549 -7.519 1.00 0.00 C ATOM 91 C TYR A 7 12.596 1.345 -6.072 1.00 0.00 C ATOM 92 O TYR A 7 11.409 1.423 -5.753 1.00 0.00 O ATOM 93 CB TYR A 7 13.557 2.974 -7.717 1.00 0.00 C ATOM 94 CG TYR A 7 12.567 4.047 -7.320 1.00 0.00 C ATOM 95 CD1 TYR A 7 12.539 4.543 -6.024 1.00 0.00 C ATOM 96 CD2 TYR A 7 11.662 4.561 -8.239 1.00 0.00 C ATOM 97 CE1 TYR A 7 11.636 5.520 -5.653 1.00 0.00 C ATOM 98 CE2 TYR A 7 10.756 5.540 -7.877 1.00 0.00 C ATOM 99 CZ TYR A 7 10.748 6.015 -6.582 1.00 0.00 C ATOM 100 OH TYR A 7 9.848 6.990 -6.217 1.00 0.00 O ATOM 0 H TYR A 7 11.054 1.750 -8.190 1.00 0.00 H new ATOM 0 HA TYR A 7 13.831 0.843 -7.739 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.469 3.099 -7.134 1.00 0.00 H new ATOM 0 HB3 TYR A 7 13.827 3.110 -8.764 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.235 4.158 -5.293 1.00 0.00 H new ATOM 0 HD2 TYR A 7 11.666 4.190 -9.253 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.626 5.894 -4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.059 5.931 -8.603 1.00 0.00 H new ATOM 0 HH TYR A 7 10.234 7.541 -5.504 1.00 0.00 H new ATOM 110 N ILE A 8 13.563 1.088 -5.200 1.00 0.00 N ATOM 111 CA ILE A 8 13.281 0.877 -3.786 1.00 0.00 C ATOM 112 C ILE A 8 14.137 1.798 -2.920 1.00 0.00 C ATOM 113 O ILE A 8 15.298 2.055 -3.234 1.00 0.00 O ATOM 114 CB ILE A 8 13.533 -0.585 -3.361 1.00 0.00 C ATOM 115 CG1 ILE A 8 12.940 -1.558 -4.383 1.00 0.00 C ATOM 116 CG2 ILE A 8 12.937 -0.839 -1.986 1.00 0.00 C ATOM 117 CD1 ILE A 8 13.976 -2.184 -5.291 1.00 0.00 C ATOM 0 H ILE A 8 14.550 1.021 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 8 12.226 1.106 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 8 14.610 -0.750 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.407 -2.348 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.206 -1.030 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.120 -1.873 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.400 -0.171 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 8 11.863 -0.655 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.486 -2.862 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.493 -1.402 -5.847 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.697 -2.740 -4.692 1.00 0.00 H new ATOM 129 N SER A 9 13.558 2.290 -1.829 1.00 0.00 N ATOM 130 CA SER A 9 14.275 3.179 -0.921 1.00 0.00 C ATOM 131 C SER A 9 14.360 2.554 0.472 1.00 0.00 C ATOM 132 O SER A 9 13.560 2.873 1.352 1.00 0.00 O ATOM 133 CB SER A 9 13.577 4.539 -0.843 1.00 0.00 C ATOM 134 OG SER A 9 13.523 5.159 -2.115 1.00 0.00 O ATOM 0 H SER A 9 12.597 2.089 -1.553 1.00 0.00 H new ATOM 0 HA SER A 9 15.284 3.326 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.567 4.411 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.108 5.184 -0.143 1.00 0.00 H new ATOM 0 HG SER A 9 13.071 6.025 -2.038 1.00 0.00 H new ATOM 140 N PRO A 10 15.270 1.569 0.662 1.00 0.00 N ATOM 141 CA PRO A 10 16.244 1.133 -0.327 1.00 0.00 C ATOM 142 C PRO A 10 16.023 -0.304 -0.787 1.00 0.00 C ATOM 143 O PRO A 10 15.103 -0.979 -0.328 1.00 0.00 O ATOM 144 CB PRO A 10 17.501 1.189 0.533 1.00 0.00 C ATOM 145 CG PRO A 10 17.035 0.727 1.894 1.00 0.00 C ATOM 146 CD PRO A 10 15.519 0.863 1.916 1.00 0.00 C ATOM 0 HA PRO A 10 16.234 1.722 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.284 0.541 0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.912 2.198 0.573 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.332 -0.306 2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.488 1.330 2.682 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.021 -0.106 1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 10 15.171 1.428 2.781 1.00 0.00 H new ATOM 154 N SER A 11 16.874 -0.763 -1.699 1.00 0.00 N ATOM 155 CA SER A 11 16.766 -2.115 -2.241 1.00 0.00 C ATOM 156 C SER A 11 16.859 -3.152 -1.130 1.00 0.00 C ATOM 157 O SER A 11 17.298 -2.852 -0.019 1.00 0.00 O ATOM 158 CB SER A 11 17.851 -2.359 -3.286 1.00 0.00 C ATOM 159 OG SER A 11 19.131 -2.437 -2.684 1.00 0.00 O ATOM 0 H SER A 11 17.648 -0.218 -2.080 1.00 0.00 H new ATOM 0 HA SER A 11 15.792 -2.213 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 11 17.641 -3.284 -3.823 1.00 0.00 H new ATOM 0 HB3 SER A 11 17.840 -1.554 -4.021 1.00 0.00 H new ATOM 0 HG SER A 11 19.808 -2.595 -3.375 1.00 0.00 H new ATOM 165 N LEU A 12 16.464 -4.383 -1.447 1.00 0.00 N ATOM 166 CA LEU A 12 16.481 -5.457 -0.463 1.00 0.00 C ATOM 167 C LEU A 12 17.908 -5.710 0.028 1.00 0.00 C ATOM 168 O LEU A 12 18.127 -5.908 1.224 1.00 0.00 O ATOM 169 CB LEU A 12 15.918 -6.742 -1.083 1.00 0.00 C ATOM 170 CG LEU A 12 14.409 -6.718 -1.340 1.00 0.00 C ATOM 171 CD1 LEU A 12 14.076 -5.768 -2.484 1.00 0.00 C ATOM 172 CD2 LEU A 12 13.899 -8.118 -1.645 1.00 0.00 C ATOM 0 H LEU A 12 16.131 -4.658 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 12 15.863 -5.160 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 12 16.431 -6.930 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 12 16.148 -7.579 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 12 13.912 -6.358 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.999 -5.764 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.407 -4.761 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 12 14.583 -6.098 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.825 -8.083 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.403 -8.504 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.103 -8.772 -0.798 1.00 0.00 H new ATOM 184 N ASP A 13 18.871 -5.655 -0.881 1.00 0.00 N ATOM 185 CA ASP A 13 20.265 -5.862 -0.512 1.00 0.00 C ATOM 186 C ASP A 13 20.741 -4.711 0.376 1.00 0.00 C ATOM 187 O ASP A 13 21.412 -4.927 1.383 1.00 0.00 O ATOM 188 CB ASP A 13 21.141 -5.959 -1.762 1.00 0.00 C ATOM 189 CG ASP A 13 20.910 -7.248 -2.529 1.00 0.00 C ATOM 190 OD1 ASP A 13 20.384 -8.210 -1.932 1.00 0.00 O ATOM 191 OD2 ASP A 13 21.253 -7.294 -3.730 1.00 0.00 O ATOM 0 H ASP A 13 18.715 -5.470 -1.872 1.00 0.00 H new ATOM 0 HA ASP A 13 20.347 -6.798 0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 13 20.936 -5.110 -2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 13 22.190 -5.893 -1.474 1.00 0.00 H new ATOM 197 N THR A 14 20.375 -3.490 -0.008 1.00 0.00 N ATOM 198 CA THR A 14 20.743 -2.302 0.760 1.00 0.00 C ATOM 199 C THR A 14 20.180 -2.379 2.174 1.00 0.00 C ATOM 200 O THR A 14 20.838 -2.003 3.144 1.00 0.00 O ATOM 201 CB THR A 14 20.236 -1.035 0.058 1.00 0.00 C ATOM 202 OG1 THR A 14 20.789 -0.927 -1.239 1.00 0.00 O ATOM 203 CG2 THR A 14 20.579 0.238 0.801 1.00 0.00 C ATOM 0 H THR A 14 19.825 -3.297 -0.845 1.00 0.00 H new ATOM 0 HA THR A 14 21.830 -2.259 0.823 1.00 0.00 H new ATOM 0 HB THR A 14 19.152 -1.140 0.022 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.355 -1.573 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.192 1.096 0.251 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.131 0.211 1.794 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.662 0.325 0.893 1.00 0.00 H new ATOM 211 N LEU A 15 18.945 -2.865 2.273 1.00 0.00 N ATOM 212 CA LEU A 15 18.264 -2.987 3.556 1.00 0.00 C ATOM 213 C LEU A 15 19.010 -3.933 4.492 1.00 0.00 C ATOM 214 O LEU A 15 19.133 -3.663 5.684 1.00 0.00 O ATOM 215 CB LEU A 15 16.833 -3.488 3.349 1.00 0.00 C ATOM 216 CG LEU A 15 16.010 -3.655 4.625 1.00 0.00 C ATOM 217 CD1 LEU A 15 14.534 -3.426 4.344 1.00 0.00 C ATOM 218 CD2 LEU A 15 16.232 -5.036 5.224 1.00 0.00 C ATOM 0 H LEU A 15 18.395 -3.182 1.475 1.00 0.00 H new ATOM 0 HA LEU A 15 18.240 -1.999 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.314 -2.793 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.872 -4.447 2.833 1.00 0.00 H new ATOM 0 HG LEU A 15 16.340 -2.908 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.965 -3.550 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.389 -2.416 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.188 -4.148 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.638 -5.138 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.929 -5.797 4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.288 -5.163 5.464 1.00 0.00 H new ATOM 230 N SER A 16 19.515 -5.030 3.940 1.00 0.00 N ATOM 231 CA SER A 16 20.241 -6.017 4.734 1.00 0.00 C ATOM 232 C SER A 16 21.481 -5.396 5.372 1.00 0.00 C ATOM 233 O SER A 16 22.009 -5.916 6.353 1.00 0.00 O ATOM 234 CB SER A 16 20.642 -7.212 3.865 1.00 0.00 C ATOM 235 OG SER A 16 21.648 -6.855 2.934 1.00 0.00 O ATOM 0 H SER A 16 19.436 -5.259 2.949 1.00 0.00 H new ATOM 0 HA SER A 16 19.580 -6.363 5.528 1.00 0.00 H new ATOM 0 HB2 SER A 16 21.001 -8.022 4.500 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.768 -7.588 3.333 1.00 0.00 H new ATOM 0 HG SER A 16 21.331 -6.112 2.379 1.00 0.00 H new ATOM 241 N SER A 17 21.933 -4.277 4.818 1.00 0.00 N ATOM 242 CA SER A 17 23.103 -3.581 5.349 1.00 0.00 C ATOM 243 C SER A 17 22.744 -2.821 6.627 1.00 0.00 C ATOM 244 O SER A 17 23.593 -2.169 7.237 1.00 0.00 O ATOM 245 CB SER A 17 23.669 -2.616 4.305 1.00 0.00 C ATOM 246 OG SER A 17 24.058 -3.305 3.130 1.00 0.00 O ATOM 0 H SER A 17 21.510 -3.832 4.004 1.00 0.00 H new ATOM 0 HA SER A 17 23.863 -4.325 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 17 22.920 -1.863 4.058 1.00 0.00 H new ATOM 0 HB3 SER A 17 24.527 -2.088 4.721 1.00 0.00 H new ATOM 0 HG SER A 17 24.414 -2.665 2.479 1.00 0.00 H new ATOM 252 N TYR A 18 21.476 -2.913 7.023 1.00 0.00 N ATOM 253 CA TYR A 18 20.981 -2.249 8.221 1.00 0.00 C ATOM 254 C TYR A 18 21.495 -2.914 9.486 1.00 0.00 C ATOM 255 O TYR A 18 21.896 -4.078 9.476 1.00 0.00 O ATOM 256 CB TYR A 18 19.450 -2.279 8.255 1.00 0.00 C ATOM 257 CG TYR A 18 18.756 -1.154 7.514 1.00 0.00 C ATOM 258 CD1 TYR A 18 19.465 -0.185 6.810 1.00 0.00 C ATOM 259 CD2 TYR A 18 17.372 -1.068 7.530 1.00 0.00 C ATOM 260 CE1 TYR A 18 18.811 0.832 6.147 1.00 0.00 C ATOM 261 CE2 TYR A 18 16.712 -0.056 6.869 1.00 0.00 C ATOM 262 CZ TYR A 18 17.434 0.893 6.179 1.00 0.00 C ATOM 263 OH TYR A 18 16.777 1.906 5.518 1.00 0.00 O ATOM 0 H TYR A 18 20.767 -3.449 6.522 1.00 0.00 H new ATOM 0 HA TYR A 18 21.342 -1.221 8.184 1.00 0.00 H new ATOM 0 HB2 TYR A 18 19.114 -3.227 7.836 1.00 0.00 H new ATOM 0 HB3 TYR A 18 19.127 -2.258 9.296 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.544 -0.230 6.783 1.00 0.00 H new ATOM 0 HD2 TYR A 18 16.801 -1.808 8.071 1.00 0.00 H new ATOM 0 HE1 TYR A 18 19.375 1.577 5.605 1.00 0.00 H new ATOM 0 HE2 TYR A 18 15.633 -0.007 6.891 1.00 0.00 H new ATOM 0 HH TYR A 18 15.810 1.803 5.639 1.00 0.00 H new ATOM 273 N SER A 19 21.447 -2.169 10.578 1.00 0.00 N ATOM 274 CA SER A 19 21.869 -2.679 11.875 1.00 0.00 C ATOM 275 C SER A 19 20.792 -3.611 12.414 1.00 0.00 C ATOM 276 O SER A 19 19.723 -3.735 11.818 1.00 0.00 O ATOM 277 CB SER A 19 22.130 -1.535 12.850 1.00 0.00 C ATOM 278 OG SER A 19 23.284 -0.802 12.485 1.00 0.00 O ATOM 0 H SER A 19 21.118 -1.204 10.593 1.00 0.00 H new ATOM 0 HA SER A 19 22.802 -3.230 11.759 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.267 -0.870 12.874 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.253 -1.933 13.857 1.00 0.00 H new ATOM 0 HG SER A 19 23.426 -0.075 13.126 1.00 0.00 H new ATOM 284 N LEU A 20 21.049 -4.240 13.560 1.00 0.00 N ATOM 285 CA LEU A 20 20.078 -5.171 14.126 1.00 0.00 C ATOM 286 C LEU A 20 18.757 -4.448 14.421 1.00 0.00 C ATOM 287 O LEU A 20 17.690 -4.919 14.020 1.00 0.00 O ATOM 288 CB LEU A 20 20.623 -5.777 15.429 1.00 0.00 C ATOM 289 CG LEU A 20 19.676 -6.748 16.133 1.00 0.00 C ATOM 290 CD1 LEU A 20 19.350 -7.923 15.225 1.00 0.00 C ATOM 291 CD2 LEU A 20 20.287 -7.235 17.439 1.00 0.00 C ATOM 0 H LEU A 20 21.904 -4.125 14.105 1.00 0.00 H new ATOM 0 HA LEU A 20 19.901 -5.966 13.401 1.00 0.00 H new ATOM 0 HB2 LEU A 20 21.555 -6.297 15.209 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.865 -4.966 16.116 1.00 0.00 H new ATOM 0 HG LEU A 20 18.749 -6.222 16.363 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.675 -8.605 15.741 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.872 -7.558 14.316 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.269 -8.449 14.966 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.599 -7.926 17.927 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.228 -7.745 17.233 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.472 -6.384 18.094 1.00 0.00 H new ATOM 303 N LEU A 21 18.837 -3.296 15.069 1.00 0.00 N ATOM 304 CA LEU A 21 17.648 -2.513 15.387 1.00 0.00 C ATOM 305 C LEU A 21 17.051 -1.900 14.114 1.00 0.00 C ATOM 306 O LEU A 21 15.833 -1.863 13.942 1.00 0.00 O ATOM 307 CB LEU A 21 17.989 -1.405 16.384 1.00 0.00 C ATOM 308 CG LEU A 21 16.818 -0.509 16.790 1.00 0.00 C ATOM 309 CD1 LEU A 21 17.049 0.071 18.178 1.00 0.00 C ATOM 310 CD2 LEU A 21 16.616 0.602 15.773 1.00 0.00 C ATOM 0 H LEU A 21 19.713 -2.880 15.386 1.00 0.00 H new ATOM 0 HA LEU A 21 16.912 -3.180 15.836 1.00 0.00 H new ATOM 0 HB2 LEU A 21 18.404 -1.862 17.282 1.00 0.00 H new ATOM 0 HB3 LEU A 21 18.771 -0.780 15.954 1.00 0.00 H new ATOM 0 HG LEU A 21 15.913 -1.116 16.816 1.00 0.00 H new ATOM 0 HD11 LEU A 21 16.207 0.706 18.452 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.142 -0.740 18.900 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.964 0.663 18.177 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.778 1.228 16.080 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.520 1.209 15.712 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.405 0.167 14.796 1.00 0.00 H new ATOM 322 N GLN A 22 17.923 -1.402 13.240 1.00 0.00 N ATOM 323 CA GLN A 22 17.497 -0.775 11.991 1.00 0.00 C ATOM 324 C GLN A 22 16.740 -1.746 11.088 1.00 0.00 C ATOM 325 O GLN A 22 15.749 -1.376 10.459 1.00 0.00 O ATOM 326 CB GLN A 22 18.713 -0.222 11.246 1.00 0.00 C ATOM 327 CG GLN A 22 18.360 0.558 9.992 1.00 0.00 C ATOM 328 CD GLN A 22 17.487 1.761 10.282 1.00 0.00 C ATOM 329 OE1 GLN A 22 16.392 1.890 9.541 1.00 0.00 O flip ATOM 330 NE2 GLN A 22 17.791 2.567 11.161 1.00 0.00 N flip ATOM 0 H GLN A 22 18.934 -1.421 13.375 1.00 0.00 H new ATOM 0 HA GLN A 22 16.816 0.036 12.249 1.00 0.00 H new ATOM 0 HB2 GLN A 22 19.276 0.425 11.919 1.00 0.00 H new ATOM 0 HB3 GLN A 22 19.369 -1.049 10.976 1.00 0.00 H new ATOM 0 HG2 GLN A 22 19.277 0.888 9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 22 17.845 -0.100 9.292 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.642 2.430 11.707 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.192 3.372 11.344 1.00 0.00 H new ATOM 339 N LEU A 23 17.215 -2.984 11.015 1.00 0.00 N ATOM 340 CA LEU A 23 16.580 -4.000 10.186 1.00 0.00 C ATOM 341 C LEU A 23 15.199 -4.349 10.717 1.00 0.00 C ATOM 342 O LEU A 23 14.255 -4.569 9.958 1.00 0.00 O ATOM 343 CB LEU A 23 17.434 -5.263 10.157 1.00 0.00 C ATOM 344 CG LEU A 23 18.759 -5.153 9.407 1.00 0.00 C ATOM 345 CD1 LEU A 23 19.662 -6.326 9.753 1.00 0.00 C ATOM 346 CD2 LEU A 23 18.506 -5.104 7.911 1.00 0.00 C ATOM 0 H LEU A 23 18.039 -3.308 11.521 1.00 0.00 H new ATOM 0 HA LEU A 23 16.482 -3.596 9.178 1.00 0.00 H new ATOM 0 HB2 LEU A 23 17.644 -5.561 11.184 1.00 0.00 H new ATOM 0 HB3 LEU A 23 16.849 -6.064 9.706 1.00 0.00 H new ATOM 0 HG LEU A 23 19.259 -4.233 9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 20.603 -6.233 9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 23 19.860 -6.329 10.825 1.00 0.00 H new ATOM 0 HD13 LEU A 23 19.171 -7.258 9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 23 19.457 -5.026 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.992 -6.013 7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.887 -4.238 7.675 1.00 0.00 H new ATOM 358 N ARG A 24 15.112 -4.432 12.037 1.00 0.00 N ATOM 359 CA ARG A 24 13.876 -4.793 12.711 1.00 0.00 C ATOM 360 C ARG A 24 12.761 -3.772 12.482 1.00 0.00 C ATOM 361 O ARG A 24 11.602 -4.145 12.296 1.00 0.00 O ATOM 362 CB ARG A 24 14.142 -4.942 14.207 1.00 0.00 C ATOM 363 CG ARG A 24 14.983 -6.160 14.551 1.00 0.00 C ATOM 364 CD ARG A 24 15.219 -6.262 16.048 1.00 0.00 C ATOM 365 NE ARG A 24 16.031 -7.425 16.399 1.00 0.00 N ATOM 366 CZ ARG A 24 15.529 -8.618 16.713 1.00 0.00 C ATOM 367 NH1 ARG A 24 14.215 -8.815 16.722 1.00 0.00 N ATOM 368 NH2 ARG A 24 16.343 -9.619 17.018 1.00 0.00 N ATOM 0 H ARG A 24 15.893 -4.252 12.667 1.00 0.00 H new ATOM 0 HA ARG A 24 13.535 -5.738 12.288 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.647 -4.047 14.570 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.190 -5.007 14.733 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.483 -7.062 14.197 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.940 -6.102 14.033 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.713 -5.356 16.399 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.260 -6.322 16.562 1.00 0.00 H new ATOM 0 HE ARG A 24 17.045 -7.316 16.404 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.583 -8.050 16.487 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.838 -9.732 16.964 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.353 -9.475 17.012 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.959 -10.533 17.259 1.00 0.00 H new ATOM 382 N LYS A 25 13.108 -2.491 12.513 1.00 0.00 N ATOM 383 CA LYS A 25 12.124 -1.432 12.321 1.00 0.00 C ATOM 384 C LYS A 25 12.430 -0.591 11.091 1.00 0.00 C ATOM 385 O LYS A 25 13.302 0.262 11.131 1.00 0.00 O ATOM 386 CB LYS A 25 12.068 -0.535 13.558 1.00 0.00 C ATOM 387 CG LYS A 25 11.463 -1.213 14.776 1.00 0.00 C ATOM 388 CD LYS A 25 11.431 -0.277 15.974 1.00 0.00 C ATOM 389 CE LYS A 25 10.829 -0.958 17.192 1.00 0.00 C ATOM 390 NZ LYS A 25 10.874 -0.084 18.397 1.00 0.00 N ATOM 0 H LYS A 25 14.060 -2.161 12.669 1.00 0.00 H new ATOM 0 HA LYS A 25 11.156 -1.909 12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.077 -0.203 13.802 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.487 0.357 13.323 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.451 -1.545 14.544 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.041 -2.103 15.023 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.443 0.057 16.204 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.850 0.612 15.728 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.795 -1.232 16.981 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.369 -1.883 17.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.454 -0.585 19.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.862 0.157 18.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.337 0.788 18.214 1.00 0.00 H new ATOM 404 N VAL A 26 11.676 -0.843 10.018 1.00 0.00 N ATOM 405 CA VAL A 26 11.814 -0.117 8.746 1.00 0.00 C ATOM 406 C VAL A 26 11.270 1.320 8.853 1.00 0.00 C ATOM 407 O VAL A 26 10.078 1.546 8.659 1.00 0.00 O ATOM 408 CB VAL A 26 11.070 -0.853 7.610 1.00 0.00 C ATOM 409 CG1 VAL A 26 11.744 -2.182 7.304 1.00 0.00 C ATOM 410 CG2 VAL A 26 9.611 -1.057 7.971 1.00 0.00 C ATOM 0 H VAL A 26 10.949 -1.558 10.004 1.00 0.00 H new ATOM 0 HA VAL A 26 12.879 -0.075 8.518 1.00 0.00 H new ATOM 0 HB VAL A 26 11.113 -0.235 6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.206 -2.686 6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.774 -2.005 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.735 -2.808 8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.104 -1.577 7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.541 -1.652 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.137 -0.089 8.133 1.00 0.00 H new ATOM 420 N PRO A 27 12.120 2.327 9.161 1.00 0.00 N ATOM 421 CA PRO A 27 11.658 3.712 9.297 1.00 0.00 C ATOM 422 C PRO A 27 11.149 4.281 7.966 1.00 0.00 C ATOM 423 O PRO A 27 9.947 4.257 7.706 1.00 0.00 O ATOM 424 CB PRO A 27 12.888 4.475 9.822 1.00 0.00 C ATOM 425 CG PRO A 27 13.875 3.426 10.220 1.00 0.00 C ATOM 426 CD PRO A 27 13.562 2.209 9.400 1.00 0.00 C ATOM 0 HA PRO A 27 10.806 3.797 9.971 1.00 0.00 H new ATOM 0 HB2 PRO A 27 13.300 5.129 9.054 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.624 5.107 10.670 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.895 3.764 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.798 3.206 11.285 1.00 0.00 H new ATOM 0 HD2 PRO A 27 14.125 2.197 8.467 1.00 0.00 H new ATOM 0 HD3 PRO A 27 13.808 1.290 9.933 1.00 0.00 H new ATOM 434 N HIS A 28 12.047 4.804 7.128 1.00 0.00 N ATOM 435 CA HIS A 28 11.640 5.355 5.841 1.00 0.00 C ATOM 436 C HIS A 28 11.848 4.349 4.718 1.00 0.00 C ATOM 437 O HIS A 28 12.962 4.187 4.219 1.00 0.00 O ATOM 438 CB HIS A 28 12.417 6.640 5.547 1.00 0.00 C ATOM 439 CG HIS A 28 12.089 7.766 6.476 1.00 0.00 C ATOM 440 ND1 HIS A 28 10.899 8.462 6.424 1.00 0.00 N ATOM 441 CD2 HIS A 28 12.800 8.318 7.488 1.00 0.00 C ATOM 442 CE1 HIS A 28 10.893 9.393 7.361 1.00 0.00 C ATOM 443 NE2 HIS A 28 12.034 9.326 8.021 1.00 0.00 N ATOM 0 H HIS A 28 13.048 4.856 7.317 1.00 0.00 H new ATOM 0 HA HIS A 28 10.576 5.584 5.895 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.485 6.430 5.607 1.00 0.00 H new ATOM 0 HB3 HIS A 28 12.211 6.953 4.524 1.00 0.00 H new ATOM 0 HD2 HIS A 28 13.786 8.021 7.815 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.091 10.090 7.554 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.303 9.926 8.801 1.00 0.00 H new ATOM 452 N LEU A 29 10.773 3.683 4.312 1.00 0.00 N ATOM 453 CA LEU A 29 10.852 2.705 3.237 1.00 0.00 C ATOM 454 C LEU A 29 9.909 3.065 2.097 1.00 0.00 C ATOM 455 O LEU A 29 8.705 3.221 2.301 1.00 0.00 O ATOM 456 CB LEU A 29 10.534 1.307 3.764 1.00 0.00 C ATOM 457 CG LEU A 29 11.717 0.589 4.415 1.00 0.00 C ATOM 458 CD1 LEU A 29 12.078 1.250 5.737 1.00 0.00 C ATOM 459 CD2 LEU A 29 11.396 -0.884 4.620 1.00 0.00 C ATOM 0 H LEU A 29 9.841 3.802 4.710 1.00 0.00 H new ATOM 0 HA LEU A 29 11.871 2.713 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.726 1.382 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.165 0.697 2.939 1.00 0.00 H new ATOM 0 HG LEU A 29 12.577 0.663 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.922 0.727 6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.349 2.291 5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.223 1.206 6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.248 -1.381 5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.524 -0.980 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.186 -1.348 3.656 1.00 0.00 H new ATOM 471 N VAL A 30 10.459 3.185 0.895 1.00 0.00 N ATOM 472 CA VAL A 30 9.656 3.515 -0.272 1.00 0.00 C ATOM 473 C VAL A 30 9.757 2.407 -1.315 1.00 0.00 C ATOM 474 O VAL A 30 10.841 2.097 -1.807 1.00 0.00 O ATOM 475 CB VAL A 30 10.101 4.854 -0.900 1.00 0.00 C ATOM 476 CG1 VAL A 30 9.212 5.226 -2.080 1.00 0.00 C ATOM 477 CG2 VAL A 30 10.099 5.959 0.146 1.00 0.00 C ATOM 0 H VAL A 30 11.453 3.059 0.705 1.00 0.00 H new ATOM 0 HA VAL A 30 8.622 3.614 0.057 1.00 0.00 H new ATOM 0 HB VAL A 30 11.118 4.733 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.547 6.173 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.271 4.447 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.181 5.325 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.415 6.896 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.094 6.075 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.787 5.699 0.951 1.00 0.00 H new ATOM 487 N VAL A 31 8.617 1.815 -1.645 1.00 0.00 N ATOM 488 CA VAL A 31 8.571 0.744 -2.629 1.00 0.00 C ATOM 489 C VAL A 31 7.464 0.989 -3.647 1.00 0.00 C ATOM 490 O VAL A 31 6.320 1.258 -3.279 1.00 0.00 O ATOM 491 CB VAL A 31 8.354 -0.627 -1.951 1.00 0.00 C ATOM 492 CG1 VAL A 31 7.032 -0.658 -1.198 1.00 0.00 C ATOM 493 CG2 VAL A 31 8.423 -1.755 -2.974 1.00 0.00 C ATOM 0 H VAL A 31 7.711 2.059 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 31 9.532 0.733 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 31 9.156 -0.776 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.903 -1.634 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.032 0.116 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.213 -0.478 -1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.267 -2.710 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.649 -1.610 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.402 -1.752 -3.453 1.00 0.00 H new ATOM 503 N GLY A 32 7.806 0.890 -4.925 1.00 0.00 N ATOM 504 CA GLY A 32 6.821 1.100 -5.966 1.00 0.00 C ATOM 505 C GLY A 32 7.375 0.860 -7.353 1.00 0.00 C ATOM 506 O GLY A 32 8.583 0.713 -7.537 1.00 0.00 O ATOM 0 H GLY A 32 8.744 0.669 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.974 0.435 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.443 2.120 -5.902 1.00 0.00 H new ATOM 510 N HIS A 33 6.481 0.829 -8.333 1.00 0.00 N ATOM 511 CA HIS A 33 6.867 0.617 -9.722 1.00 0.00 C ATOM 512 C HIS A 33 6.494 1.830 -10.564 1.00 0.00 C ATOM 513 O HIS A 33 6.230 1.712 -11.761 1.00 0.00 O ATOM 514 CB HIS A 33 6.187 -0.636 -10.278 1.00 0.00 C ATOM 515 CG HIS A 33 6.539 -1.888 -9.537 1.00 0.00 C ATOM 516 ND1 HIS A 33 7.717 -2.575 -9.736 1.00 0.00 N ATOM 517 CD2 HIS A 33 5.858 -2.578 -8.591 1.00 0.00 C ATOM 518 CE1 HIS A 33 7.746 -3.634 -8.945 1.00 0.00 C ATOM 519 NE2 HIS A 33 6.630 -3.657 -8.240 1.00 0.00 N ATOM 0 H HIS A 33 5.478 0.949 -8.190 1.00 0.00 H new ATOM 0 HA HIS A 33 7.947 0.478 -9.764 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.106 -0.497 -10.247 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.463 -0.754 -11.326 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.888 -2.326 -8.188 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.546 -4.357 -8.886 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.382 -4.363 -7.547 1.00 0.00 H new ATOM 528 N LYS A 34 6.453 2.995 -9.923 1.00 0.00 N ATOM 529 CA LYS A 34 6.090 4.231 -10.605 1.00 0.00 C ATOM 530 C LYS A 34 4.661 4.129 -11.135 1.00 0.00 C ATOM 531 O LYS A 34 3.717 4.558 -10.469 1.00 0.00 O ATOM 532 CB LYS A 34 7.077 4.523 -11.742 1.00 0.00 C ATOM 533 CG LYS A 34 8.462 4.917 -11.254 1.00 0.00 C ATOM 534 CD LYS A 34 9.402 5.207 -12.412 1.00 0.00 C ATOM 535 CE LYS A 34 10.787 5.595 -11.919 1.00 0.00 C ATOM 536 NZ LYS A 34 11.745 5.784 -13.044 1.00 0.00 N ATOM 0 H LYS A 34 6.667 3.108 -8.932 1.00 0.00 H new ATOM 0 HA LYS A 34 6.139 5.058 -9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.161 3.640 -12.376 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.677 5.325 -12.363 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.387 5.798 -10.616 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.874 4.115 -10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.475 4.328 -13.052 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.993 6.012 -13.022 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.721 6.516 -11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.163 4.823 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.677 6.048 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.828 4.898 -13.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.400 6.539 -13.671 1.00 0.00 H new ATOM 550 N SER A 35 4.501 3.568 -12.330 1.00 0.00 N ATOM 551 CA SER A 35 3.176 3.414 -12.921 1.00 0.00 C ATOM 552 C SER A 35 2.277 2.552 -12.037 1.00 0.00 C ATOM 553 O SER A 35 1.099 2.851 -11.859 1.00 0.00 O ATOM 554 CB SER A 35 3.285 2.788 -14.313 1.00 0.00 C ATOM 555 OG SER A 35 3.881 3.688 -15.232 1.00 0.00 O ATOM 0 H SER A 35 5.266 3.215 -12.904 1.00 0.00 H new ATOM 0 HA SER A 35 2.730 4.405 -13.006 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.876 1.874 -14.259 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.293 2.506 -14.667 1.00 0.00 H new ATOM 0 HG SER A 35 3.941 3.264 -16.113 1.00 0.00 H new ATOM 561 N TYR A 36 2.848 1.489 -11.472 1.00 0.00 N ATOM 562 CA TYR A 36 2.104 0.583 -10.605 1.00 0.00 C ATOM 563 C TYR A 36 1.579 1.315 -9.373 1.00 0.00 C ATOM 564 O TYR A 36 0.455 1.077 -8.927 1.00 0.00 O ATOM 565 CB TYR A 36 3.003 -0.577 -10.175 1.00 0.00 C ATOM 566 CG TYR A 36 3.171 -1.641 -11.235 1.00 0.00 C ATOM 567 CD1 TYR A 36 4.091 -1.481 -12.265 1.00 0.00 C ATOM 568 CD2 TYR A 36 2.420 -2.810 -11.202 1.00 0.00 C ATOM 569 CE1 TYR A 36 4.254 -2.451 -13.233 1.00 0.00 C ATOM 570 CE2 TYR A 36 2.580 -3.786 -12.167 1.00 0.00 C ATOM 571 CZ TYR A 36 3.497 -3.602 -13.181 1.00 0.00 C ATOM 572 OH TYR A 36 3.658 -4.572 -14.143 1.00 0.00 O ATOM 0 H TYR A 36 3.827 1.235 -11.601 1.00 0.00 H new ATOM 0 HA TYR A 36 1.252 0.196 -11.163 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.984 -0.185 -9.908 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.587 -1.034 -9.277 1.00 0.00 H new ATOM 0 HD1 TYR A 36 4.688 -0.582 -12.308 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.701 -2.958 -10.410 1.00 0.00 H new ATOM 0 HE1 TYR A 36 4.971 -2.309 -14.028 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.989 -4.689 -12.128 1.00 0.00 H new ATOM 0 HH TYR A 36 3.050 -5.318 -13.960 1.00 0.00 H new ATOM 582 N GLY A 37 2.407 2.190 -8.817 1.00 0.00 N ATOM 583 CA GLY A 37 2.026 2.938 -7.634 1.00 0.00 C ATOM 584 C GLY A 37 3.107 2.893 -6.570 1.00 0.00 C ATOM 585 O GLY A 37 3.761 1.868 -6.386 1.00 0.00 O ATOM 0 H GLY A 37 3.343 2.396 -9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.827 3.974 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.099 2.531 -7.229 1.00 0.00 H new ATOM 589 N LYS A 38 3.302 4.011 -5.880 1.00 0.00 N ATOM 590 CA LYS A 38 4.326 4.095 -4.840 1.00 0.00 C ATOM 591 C LYS A 38 3.723 3.919 -3.446 1.00 0.00 C ATOM 592 O LYS A 38 2.727 4.553 -3.104 1.00 0.00 O ATOM 593 CB LYS A 38 5.054 5.437 -4.929 1.00 0.00 C ATOM 594 CG LYS A 38 5.884 5.592 -6.194 1.00 0.00 C ATOM 595 CD LYS A 38 6.592 6.936 -6.233 1.00 0.00 C ATOM 596 CE LYS A 38 7.418 7.091 -7.500 1.00 0.00 C ATOM 597 NZ LYS A 38 8.040 8.441 -7.596 1.00 0.00 N ATOM 0 H LYS A 38 2.768 4.869 -6.019 1.00 0.00 H new ATOM 0 HA LYS A 38 5.037 3.285 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.321 6.243 -4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.704 5.547 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.620 4.790 -6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.240 5.493 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.856 7.738 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.239 7.034 -5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.198 6.330 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.784 6.921 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.159 8.698 -8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.427 9.140 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.969 8.429 -7.128 1.00 0.00 H new ATOM 611 N ILE A 39 4.346 3.052 -2.646 1.00 0.00 N ATOM 612 CA ILE A 39 3.880 2.793 -1.288 1.00 0.00 C ATOM 613 C ILE A 39 5.040 2.922 -0.295 1.00 0.00 C ATOM 614 O ILE A 39 6.156 2.488 -0.575 1.00 0.00 O ATOM 615 CB ILE A 39 3.253 1.380 -1.175 1.00 0.00 C ATOM 616 CG1 ILE A 39 2.060 1.260 -2.125 1.00 0.00 C ATOM 617 CG2 ILE A 39 2.809 1.087 0.255 1.00 0.00 C ATOM 618 CD1 ILE A 39 1.536 -0.154 -2.259 1.00 0.00 C ATOM 0 H ILE A 39 5.173 2.520 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 39 3.116 3.532 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 39 4.013 0.649 -1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.256 1.905 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.351 1.626 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.373 0.089 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.670 1.140 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.066 1.823 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.691 -0.165 -2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.326 -0.800 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.214 -0.517 -1.283 1.00 0.00 H new ATOM 630 N GLU A 40 4.769 3.516 0.864 1.00 0.00 N ATOM 631 CA GLU A 40 5.795 3.692 1.889 1.00 0.00 C ATOM 632 C GLU A 40 5.326 3.130 3.228 1.00 0.00 C ATOM 633 O GLU A 40 4.178 3.322 3.625 1.00 0.00 O ATOM 634 CB GLU A 40 6.147 5.171 2.038 1.00 0.00 C ATOM 635 CG GLU A 40 6.899 5.741 0.847 1.00 0.00 C ATOM 636 CD GLU A 40 7.234 7.211 1.019 1.00 0.00 C ATOM 637 OE1 GLU A 40 8.322 7.513 1.555 1.00 0.00 O ATOM 638 OE2 GLU A 40 6.410 8.058 0.618 1.00 0.00 O ATOM 0 H GLU A 40 3.851 3.883 1.117 1.00 0.00 H new ATOM 0 HA GLU A 40 6.684 3.145 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.230 5.741 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.751 5.303 2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.820 5.177 0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.298 5.612 -0.053 1.00 0.00 H new ATOM 646 N PHE A 41 6.224 2.430 3.917 1.00 0.00 N ATOM 647 CA PHE A 41 5.900 1.832 5.208 1.00 0.00 C ATOM 648 C PHE A 41 6.770 2.402 6.327 1.00 0.00 C ATOM 649 O PHE A 41 7.998 2.421 6.220 1.00 0.00 O ATOM 650 CB PHE A 41 6.077 0.316 5.140 1.00 0.00 C ATOM 651 CG PHE A 41 5.201 -0.343 4.116 1.00 0.00 C ATOM 652 CD1 PHE A 41 5.648 -0.513 2.815 1.00 0.00 C ATOM 653 CD2 PHE A 41 3.934 -0.791 4.451 1.00 0.00 C ATOM 654 CE1 PHE A 41 4.846 -1.121 1.868 1.00 0.00 C ATOM 655 CE2 PHE A 41 3.128 -1.398 3.508 1.00 0.00 C ATOM 656 CZ PHE A 41 3.584 -1.564 2.214 1.00 0.00 C ATOM 0 H PHE A 41 7.180 2.264 3.603 1.00 0.00 H new ATOM 0 HA PHE A 41 4.861 2.072 5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.119 0.090 4.915 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.862 -0.111 6.119 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.633 -0.167 2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.572 -0.664 5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.206 -1.250 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.142 -1.743 3.782 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.955 -2.039 1.475 1.00 0.00 H new ATOM 666 N LEU A 42 6.130 2.840 7.406 1.00 0.00 N ATOM 667 CA LEU A 42 6.852 3.379 8.556 1.00 0.00 C ATOM 668 C LEU A 42 6.728 2.453 9.769 1.00 0.00 C ATOM 669 O LEU A 42 7.055 2.826 10.892 1.00 0.00 O ATOM 670 CB LEU A 42 6.336 4.777 8.911 1.00 0.00 C ATOM 671 CG LEU A 42 6.884 5.909 8.040 1.00 0.00 C ATOM 672 CD1 LEU A 42 6.317 5.821 6.632 1.00 0.00 C ATOM 673 CD2 LEU A 42 6.567 7.261 8.659 1.00 0.00 C ATOM 0 H LEU A 42 5.115 2.833 7.510 1.00 0.00 H new ATOM 0 HA LEU A 42 7.905 3.450 8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.248 4.776 8.837 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.585 4.986 9.951 1.00 0.00 H new ATOM 0 HG LEU A 42 7.967 5.804 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.718 6.634 6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.595 4.866 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.231 5.900 6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.965 8.054 8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.487 7.376 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.022 7.324 9.648 1.00 0.00 H new ATOM 685 N GLU A 43 6.273 1.235 9.498 1.00 0.00 N ATOM 686 CA GLU A 43 6.091 0.239 10.550 1.00 0.00 C ATOM 687 C GLU A 43 7.413 -0.462 10.880 1.00 0.00 C ATOM 688 O GLU A 43 8.481 -0.058 10.391 1.00 0.00 O ATOM 689 CB GLU A 43 5.099 -0.846 10.056 1.00 0.00 C ATOM 690 CG GLU A 43 5.545 -1.575 8.805 1.00 0.00 C ATOM 691 CD GLU A 43 4.506 -2.558 8.300 1.00 0.00 C ATOM 692 OE1 GLU A 43 3.299 -2.273 8.454 1.00 0.00 O ATOM 693 OE2 GLU A 43 4.896 -3.610 7.753 1.00 0.00 O ATOM 0 H GLU A 43 6.024 0.913 8.563 1.00 0.00 H new ATOM 0 HA GLU A 43 5.717 0.750 11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.949 -1.574 10.853 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.133 -0.379 9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.762 -0.847 8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.474 -2.107 9.011 1.00 0.00 H new ATOM 701 N PRO A 44 7.421 -1.374 11.882 1.00 0.00 N ATOM 702 CA PRO A 44 8.593 -2.110 12.289 1.00 0.00 C ATOM 703 C PRO A 44 8.658 -3.528 11.821 1.00 0.00 C ATOM 704 O PRO A 44 8.335 -4.480 12.539 1.00 0.00 O ATOM 705 CB PRO A 44 8.362 -2.063 13.814 1.00 0.00 C ATOM 706 CG PRO A 44 6.864 -2.228 13.954 1.00 0.00 C ATOM 707 CD PRO A 44 6.242 -1.909 12.590 1.00 0.00 C ATOM 0 HA PRO A 44 9.521 -1.698 11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.902 -2.859 14.326 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.703 -1.120 14.242 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.616 -3.244 14.261 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.473 -1.559 14.721 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.831 -2.794 12.103 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.434 -1.181 12.662 1.00 0.00 H new ATOM 715 N VAL A 45 9.004 -3.684 10.543 1.00 0.00 N ATOM 716 CA VAL A 45 9.115 -4.988 9.901 1.00 0.00 C ATOM 717 C VAL A 45 10.285 -5.783 10.454 1.00 0.00 C ATOM 718 O VAL A 45 11.308 -5.943 9.784 1.00 0.00 O ATOM 719 CB VAL A 45 9.227 -4.860 8.368 1.00 0.00 C ATOM 720 CG1 VAL A 45 9.242 -6.236 7.709 1.00 0.00 C ATOM 721 CG2 VAL A 45 8.086 -4.021 7.814 1.00 0.00 C ATOM 0 H VAL A 45 9.216 -2.902 9.923 1.00 0.00 H new ATOM 0 HA VAL A 45 8.198 -5.531 10.128 1.00 0.00 H new ATOM 0 HB VAL A 45 10.168 -4.359 8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.322 -6.121 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.095 -6.806 8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.320 -6.765 7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.184 -3.943 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.135 -4.493 8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.120 -3.024 8.254 1.00 0.00 H new ATOM 731 N ASP A 46 10.133 -6.299 11.682 1.00 0.00 N ATOM 732 CA ASP A 46 11.195 -7.078 12.342 1.00 0.00 C ATOM 733 C ASP A 46 11.784 -8.120 11.383 1.00 0.00 C ATOM 734 O ASP A 46 11.278 -9.237 11.269 1.00 0.00 O ATOM 735 CB ASP A 46 10.635 -7.775 13.580 1.00 0.00 C ATOM 736 CG ASP A 46 10.343 -6.803 14.709 1.00 0.00 C ATOM 737 OD1 ASP A 46 9.555 -7.155 15.609 1.00 0.00 O ATOM 738 OD2 ASP A 46 10.907 -5.686 14.691 1.00 0.00 O ATOM 0 H ASP A 46 9.286 -6.192 12.240 1.00 0.00 H new ATOM 0 HA ASP A 46 11.989 -6.393 12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.720 -8.303 13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.347 -8.525 13.925 1.00 0.00 H new ATOM 744 N LEU A 47 12.867 -7.742 10.708 1.00 0.00 N ATOM 745 CA LEU A 47 13.513 -8.624 9.742 1.00 0.00 C ATOM 746 C LEU A 47 14.857 -9.135 10.270 1.00 0.00 C ATOM 747 O LEU A 47 15.565 -9.856 9.563 1.00 0.00 O ATOM 748 CB LEU A 47 13.713 -7.912 8.410 1.00 0.00 C ATOM 749 CG LEU A 47 12.423 -7.472 7.715 1.00 0.00 C ATOM 750 CD1 LEU A 47 12.741 -6.701 6.442 1.00 0.00 C ATOM 751 CD2 LEU A 47 11.549 -8.676 7.406 1.00 0.00 C ATOM 0 H LEU A 47 13.315 -6.831 10.813 1.00 0.00 H new ATOM 0 HA LEU A 47 12.857 -9.480 9.588 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.338 -7.034 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.262 -8.573 7.740 1.00 0.00 H new ATOM 0 HG LEU A 47 11.875 -6.813 8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.812 -6.395 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.329 -5.817 6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.309 -7.337 5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.636 -8.345 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.089 -9.359 6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.294 -9.189 8.334 1.00 0.00 H new ATOM 763 N ALA A 48 15.211 -8.762 11.495 1.00 0.00 N ATOM 764 CA ALA A 48 16.472 -9.198 12.083 1.00 0.00 C ATOM 765 C ALA A 48 16.544 -10.719 12.148 1.00 0.00 C ATOM 766 O ALA A 48 17.585 -11.316 11.874 1.00 0.00 O ATOM 767 CB ALA A 48 16.641 -8.598 13.471 1.00 0.00 C ATOM 0 H ALA A 48 14.646 -8.162 12.097 1.00 0.00 H new ATOM 0 HA ALA A 48 17.285 -8.847 11.448 1.00 0.00 H new ATOM 0 HB1 ALA A 48 17.586 -8.931 13.899 1.00 0.00 H new ATOM 0 HB2 ALA A 48 16.638 -7.510 13.400 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.819 -8.922 14.110 1.00 0.00 H new ATOM 773 N GLY A 49 15.421 -11.346 12.488 1.00 0.00 N ATOM 774 CA GLY A 49 15.370 -12.794 12.568 1.00 0.00 C ATOM 775 C GLY A 49 15.068 -13.434 11.219 1.00 0.00 C ATOM 776 O GLY A 49 15.962 -13.958 10.574 1.00 0.00 O ATOM 0 H GLY A 49 14.544 -10.875 12.710 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.323 -13.169 12.941 1.00 0.00 H new ATOM 0 HA3 GLY A 49 14.607 -13.090 13.288 1.00 0.00 H new ATOM 780 N ILE A 50 13.791 -13.373 10.830 1.00 0.00 N ATOM 781 CA ILE A 50 13.288 -13.929 9.558 1.00 0.00 C ATOM 782 C ILE A 50 13.755 -13.127 8.329 1.00 0.00 C ATOM 783 O ILE A 50 13.097 -12.167 7.930 1.00 0.00 O ATOM 784 CB ILE A 50 11.743 -14.020 9.547 1.00 0.00 C ATOM 785 CG1 ILE A 50 11.107 -12.630 9.728 1.00 0.00 C ATOM 786 CG2 ILE A 50 11.260 -15.002 10.609 1.00 0.00 C ATOM 787 CD1 ILE A 50 11.079 -12.118 11.158 1.00 0.00 C ATOM 0 H ILE A 50 13.064 -12.932 11.393 1.00 0.00 H new ATOM 0 HA ILE A 50 13.711 -14.931 9.491 1.00 0.00 H new ATOM 0 HB ILE A 50 11.425 -14.396 8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.652 -11.915 9.112 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.085 -12.662 9.350 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.171 -15.054 10.588 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.675 -15.990 10.407 1.00 0.00 H new ATOM 0 HG23 ILE A 50 11.588 -14.665 11.592 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.613 -11.133 11.183 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.506 -12.806 11.780 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.098 -12.047 11.539 1.00 0.00 H new ATOM 799 N PRO A 51 14.900 -13.489 7.706 1.00 0.00 N ATOM 800 CA PRO A 51 15.406 -12.774 6.533 1.00 0.00 C ATOM 801 C PRO A 51 14.723 -13.198 5.241 1.00 0.00 C ATOM 802 O PRO A 51 15.324 -13.157 4.164 1.00 0.00 O ATOM 803 CB PRO A 51 16.881 -13.168 6.515 1.00 0.00 C ATOM 804 CG PRO A 51 16.899 -14.551 7.066 1.00 0.00 C ATOM 805 CD PRO A 51 15.762 -14.634 8.057 1.00 0.00 C ATOM 0 HA PRO A 51 15.226 -11.701 6.595 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.289 -13.137 5.505 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.481 -12.490 7.122 1.00 0.00 H new ATOM 0 HG2 PRO A 51 16.775 -15.287 6.271 1.00 0.00 H new ATOM 0 HG3 PRO A 51 17.852 -14.763 7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 51 15.225 -15.579 7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.121 -14.564 9.084 1.00 0.00 H new ATOM 813 N LEU A 52 13.466 -13.610 5.345 1.00 0.00 N ATOM 814 CA LEU A 52 12.698 -14.039 4.183 1.00 0.00 C ATOM 815 C LEU A 52 12.578 -12.914 3.157 1.00 0.00 C ATOM 816 O LEU A 52 12.659 -13.149 1.951 1.00 0.00 O ATOM 817 CB LEU A 52 11.310 -14.524 4.605 1.00 0.00 C ATOM 818 CG LEU A 52 10.446 -13.480 5.313 1.00 0.00 C ATOM 819 CD1 LEU A 52 9.292 -13.047 4.422 1.00 0.00 C ATOM 820 CD2 LEU A 52 9.923 -14.030 6.633 1.00 0.00 C ATOM 0 H LEU A 52 12.955 -13.656 6.226 1.00 0.00 H new ATOM 0 HA LEU A 52 13.231 -14.868 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.779 -14.872 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.428 -15.384 5.265 1.00 0.00 H new ATOM 0 HG LEU A 52 11.064 -12.607 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.689 -12.304 4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.685 -12.615 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.674 -13.912 4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.310 -13.275 7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.321 -14.919 6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.763 -14.291 7.277 1.00 0.00 H new ATOM 906 N ILE A 59 7.387 -11.817 0.241 1.00 0.00 N ATOM 907 CA ILE A 59 6.565 -11.220 1.285 1.00 0.00 C ATOM 908 C ILE A 59 5.848 -9.966 0.784 1.00 0.00 C ATOM 909 O ILE A 59 4.685 -9.734 1.116 1.00 0.00 O ATOM 910 CB ILE A 59 7.404 -10.873 2.534 1.00 0.00 C ATOM 911 CG1 ILE A 59 6.502 -10.392 3.674 1.00 0.00 C ATOM 912 CG2 ILE A 59 8.460 -9.824 2.206 1.00 0.00 C ATOM 913 CD1 ILE A 59 7.217 -10.263 5.002 1.00 0.00 C ATOM 0 HA ILE A 59 5.817 -11.964 1.561 1.00 0.00 H new ATOM 0 HB ILE A 59 7.916 -11.779 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.076 -9.425 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.670 -11.087 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.038 -9.597 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.126 -10.207 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.973 -8.917 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.515 -9.918 5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.620 -11.233 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.032 -9.545 4.908 1.00 0.00 H new ATOM 925 N ILE A 60 6.547 -9.157 -0.003 1.00 0.00 N ATOM 926 CA ILE A 60 5.966 -7.929 -0.532 1.00 0.00 C ATOM 927 C ILE A 60 5.570 -8.099 -2.002 1.00 0.00 C ATOM 928 O ILE A 60 6.413 -8.363 -2.858 1.00 0.00 O ATOM 929 CB ILE A 60 6.953 -6.744 -0.391 1.00 0.00 C ATOM 930 CG1 ILE A 60 7.306 -6.526 1.082 1.00 0.00 C ATOM 931 CG2 ILE A 60 6.370 -5.464 -0.980 1.00 0.00 C ATOM 932 CD1 ILE A 60 8.443 -5.552 1.295 1.00 0.00 C ATOM 0 H ILE A 60 7.511 -9.328 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 60 5.071 -7.712 0.051 1.00 0.00 H new ATOM 0 HB ILE A 60 7.857 -6.992 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.424 -6.162 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.571 -7.484 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.087 -4.651 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.158 -5.614 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.447 -5.210 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.637 -5.447 2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.339 -5.924 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.174 -4.581 0.878 1.00 0.00 H new ATOM 944 N THR A 61 4.280 -7.933 -2.279 1.00 0.00 N ATOM 945 CA THR A 61 3.762 -8.052 -3.639 1.00 0.00 C ATOM 946 C THR A 61 2.895 -6.844 -3.982 1.00 0.00 C ATOM 947 O THR A 61 2.128 -6.368 -3.145 1.00 0.00 O ATOM 948 CB THR A 61 2.949 -9.340 -3.787 1.00 0.00 C ATOM 949 OG1 THR A 61 3.736 -10.470 -3.451 1.00 0.00 O ATOM 950 CG2 THR A 61 2.415 -9.553 -5.187 1.00 0.00 C ATOM 0 H THR A 61 3.572 -7.715 -1.578 1.00 0.00 H new ATOM 0 HA THR A 61 4.605 -8.088 -4.329 1.00 0.00 H new ATOM 0 HB THR A 61 2.105 -9.229 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.199 -11.284 -3.550 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.848 -10.483 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.765 -8.722 -5.459 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.247 -9.608 -5.889 1.00 0.00 H new ATOM 958 N PHE A 62 3.013 -6.348 -5.211 1.00 0.00 N ATOM 959 CA PHE A 62 2.225 -5.193 -5.627 1.00 0.00 C ATOM 960 C PHE A 62 1.506 -5.455 -6.949 1.00 0.00 C ATOM 961 O PHE A 62 2.113 -5.427 -8.019 1.00 0.00 O ATOM 962 CB PHE A 62 3.123 -3.961 -5.758 1.00 0.00 C ATOM 963 CG PHE A 62 2.375 -2.696 -6.070 1.00 0.00 C ATOM 964 CD1 PHE A 62 1.893 -1.893 -5.048 1.00 0.00 C ATOM 965 CD2 PHE A 62 2.152 -2.307 -7.383 1.00 0.00 C ATOM 966 CE1 PHE A 62 1.205 -0.729 -5.328 1.00 0.00 C ATOM 967 CE2 PHE A 62 1.463 -1.144 -7.666 1.00 0.00 C ATOM 968 CZ PHE A 62 0.989 -0.353 -6.639 1.00 0.00 C ATOM 0 H PHE A 62 3.637 -6.721 -5.926 1.00 0.00 H new ATOM 0 HA PHE A 62 1.471 -5.011 -4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.676 -3.825 -4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.858 -4.140 -6.543 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.058 -2.181 -4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.521 -2.920 -8.192 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.836 -0.113 -4.522 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.295 -0.853 -8.692 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.451 0.557 -6.860 1.00 0.00 H new ATOM 978 N GLU A 63 0.199 -5.685 -6.859 1.00 0.00 N ATOM 979 CA GLU A 63 -0.630 -5.927 -8.034 1.00 0.00 C ATOM 980 C GLU A 63 -0.979 -4.604 -8.713 1.00 0.00 C ATOM 981 O GLU A 63 -1.248 -3.614 -8.032 1.00 0.00 O ATOM 982 CB GLU A 63 -1.907 -6.675 -7.647 1.00 0.00 C ATOM 983 CG GLU A 63 -1.652 -8.065 -7.088 1.00 0.00 C ATOM 984 CD GLU A 63 -2.666 -9.082 -7.573 1.00 0.00 C ATOM 985 OE1 GLU A 63 -2.768 -9.282 -8.802 1.00 0.00 O ATOM 986 OE2 GLU A 63 -3.359 -9.680 -6.723 1.00 0.00 O ATOM 0 H GLU A 63 -0.311 -5.709 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.067 -6.545 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.451 -6.089 -6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.550 -6.757 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.652 -8.390 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.675 -8.025 -5.999 1.00 0.00 H new ATOM 994 N PRO A 64 -0.974 -4.552 -10.061 1.00 0.00 N ATOM 995 CA PRO A 64 -1.291 -3.325 -10.793 1.00 0.00 C ATOM 996 C PRO A 64 -2.768 -2.969 -10.702 1.00 0.00 C ATOM 997 O PRO A 64 -3.444 -2.775 -11.713 1.00 0.00 O ATOM 998 CB PRO A 64 -0.894 -3.635 -12.245 1.00 0.00 C ATOM 999 CG PRO A 64 -0.179 -4.949 -12.203 1.00 0.00 C ATOM 1000 CD PRO A 64 -0.662 -5.660 -10.972 1.00 0.00 C ATOM 0 HA PRO A 64 -0.762 -2.465 -10.382 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.773 -3.689 -12.887 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.251 -2.853 -12.650 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.392 -5.535 -13.097 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.900 -4.802 -12.167 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.538 -6.275 -11.177 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.101 -6.320 -10.560 1.00 0.00 H new ATOM 1008 N LYS A 65 -3.254 -2.889 -9.471 1.00 0.00 N ATOM 1009 CA LYS A 65 -4.647 -2.564 -9.179 1.00 0.00 C ATOM 1010 C LYS A 65 -4.949 -2.854 -7.714 1.00 0.00 C ATOM 1011 O LYS A 65 -5.851 -2.261 -7.121 1.00 0.00 O ATOM 1012 CB LYS A 65 -5.606 -3.364 -10.071 1.00 0.00 C ATOM 1013 CG LYS A 65 -7.068 -3.061 -9.808 1.00 0.00 C ATOM 1014 CD LYS A 65 -7.982 -3.875 -10.709 1.00 0.00 C ATOM 1015 CE LYS A 65 -9.446 -3.561 -10.444 1.00 0.00 C ATOM 1016 NZ LYS A 65 -10.348 -4.280 -11.386 1.00 0.00 N ATOM 0 H LYS A 65 -2.688 -3.049 -8.637 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.796 -1.504 -9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.381 -3.151 -11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.430 -4.429 -9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.302 -3.274 -8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.254 -1.999 -9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.747 -3.666 -11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.801 -4.938 -10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.697 -3.837 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.609 -2.487 -10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.337 -4.039 -11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.126 -3.998 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.212 -5.306 -11.283 1.00 0.00 H new ATOM 1030 N THR A 66 -4.191 -3.785 -7.139 1.00 0.00 N ATOM 1031 CA THR A 66 -4.374 -4.177 -5.745 1.00 0.00 C ATOM 1032 C THR A 66 -3.036 -4.394 -5.046 1.00 0.00 C ATOM 1033 O THR A 66 -2.052 -4.785 -5.672 1.00 0.00 O ATOM 1034 CB THR A 66 -5.219 -5.448 -5.661 1.00 0.00 C ATOM 1035 OG1 THR A 66 -6.410 -5.311 -6.415 1.00 0.00 O ATOM 1036 CG2 THR A 66 -5.612 -5.811 -4.246 1.00 0.00 C ATOM 0 H THR A 66 -3.442 -4.283 -7.620 1.00 0.00 H new ATOM 0 HA THR A 66 -4.892 -3.364 -5.236 1.00 0.00 H new ATOM 0 HB THR A 66 -4.588 -6.241 -6.062 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.935 -6.136 -6.349 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.210 -6.722 -4.257 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.714 -5.973 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.195 -4.999 -3.811 1.00 0.00 H new ATOM 1044 N CYS A 67 -3.010 -4.145 -3.741 1.00 0.00 N ATOM 1045 CA CYS A 67 -1.796 -4.321 -2.951 1.00 0.00 C ATOM 1046 C CYS A 67 -1.989 -5.433 -1.925 1.00 0.00 C ATOM 1047 O CYS A 67 -2.979 -5.445 -1.192 1.00 0.00 O ATOM 1048 CB CYS A 67 -1.431 -3.018 -2.242 1.00 0.00 C ATOM 1049 SG CYS A 67 -1.123 -1.629 -3.357 1.00 0.00 S ATOM 0 H CYS A 67 -3.816 -3.820 -3.207 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.984 -4.597 -3.623 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.238 -2.750 -1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.542 -3.185 -1.634 1.00 0.00 H new ATOM 0 HG CYS A 67 0.073 -1.730 -3.855 1.00 0.00 H new ATOM 1055 N ILE A 68 -1.044 -6.366 -1.876 1.00 0.00 N ATOM 1056 CA ILE A 68 -1.130 -7.478 -0.936 1.00 0.00 C ATOM 1057 C ILE A 68 0.001 -7.418 0.090 1.00 0.00 C ATOM 1058 O ILE A 68 1.179 -7.470 -0.263 1.00 0.00 O ATOM 1059 CB ILE A 68 -1.080 -8.835 -1.677 1.00 0.00 C ATOM 1060 CG1 ILE A 68 -2.181 -8.899 -2.736 1.00 0.00 C ATOM 1061 CG2 ILE A 68 -1.223 -9.995 -0.698 1.00 0.00 C ATOM 1062 CD1 ILE A 68 -3.576 -8.756 -2.167 1.00 0.00 C ATOM 0 H ILE A 68 -0.216 -6.375 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.085 -7.391 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.111 -8.920 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.014 -8.111 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.109 -9.849 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.185 -10.938 -1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.410 -9.962 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.177 -9.916 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.306 -8.811 -2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.762 -9.559 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.666 -7.795 -1.661 1.00 0.00 H new ATOM 1074 N ILE A 69 -0.375 -7.319 1.361 1.00 0.00 N ATOM 1075 CA ILE A 69 0.597 -7.266 2.447 1.00 0.00 C ATOM 1076 C ILE A 69 0.403 -8.432 3.417 1.00 0.00 C ATOM 1077 O ILE A 69 1.310 -8.788 4.168 1.00 0.00 O ATOM 1078 CB ILE A 69 0.500 -5.937 3.224 1.00 0.00 C ATOM 1079 CG1 ILE A 69 -0.895 -5.769 3.829 1.00 0.00 C ATOM 1080 CG2 ILE A 69 0.829 -4.766 2.309 1.00 0.00 C ATOM 1081 CD1 ILE A 69 -0.997 -4.612 4.800 1.00 0.00 C ATOM 0 H ILE A 69 -1.348 -7.274 1.664 1.00 0.00 H new ATOM 0 HA ILE A 69 1.585 -7.338 1.993 1.00 0.00 H new ATOM 0 HB ILE A 69 1.225 -5.957 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.616 -5.623 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.173 -6.689 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.757 -3.834 2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.842 -4.879 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.124 -4.745 1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.013 -4.553 5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.301 -4.766 5.624 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.751 -3.683 4.286 1.00 0.00 H new ATOM 1093 N TYR A 70 -0.790 -9.020 3.392 1.00 0.00 N ATOM 1094 CA TYR A 70 -1.115 -10.143 4.265 1.00 0.00 C ATOM 1095 C TYR A 70 -0.348 -11.396 3.854 1.00 0.00 C ATOM 1096 O TYR A 70 0.114 -12.159 4.702 1.00 0.00 O ATOM 1097 CB TYR A 70 -2.620 -10.421 4.237 1.00 0.00 C ATOM 1098 CG TYR A 70 -3.444 -9.351 4.918 1.00 0.00 C ATOM 1099 CD1 TYR A 70 -3.740 -9.432 6.272 1.00 0.00 C ATOM 1100 CD2 TYR A 70 -3.925 -8.260 4.205 1.00 0.00 C ATOM 1101 CE1 TYR A 70 -4.494 -8.458 6.898 1.00 0.00 C ATOM 1102 CE2 TYR A 70 -4.680 -7.281 4.824 1.00 0.00 C ATOM 1103 CZ TYR A 70 -4.960 -7.383 6.169 1.00 0.00 C ATOM 1104 OH TYR A 70 -5.712 -6.410 6.788 1.00 0.00 O ATOM 0 H TYR A 70 -1.550 -8.736 2.774 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.820 -9.876 5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.945 -10.514 3.201 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.813 -11.379 4.719 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.375 -10.271 6.846 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.706 -8.175 3.151 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.717 -8.538 7.952 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -5.049 -6.440 4.256 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.960 -5.723 6.135 1.00 0.00 H new ATOM 1114 N ALA A 71 -0.217 -11.601 2.544 1.00 0.00 N ATOM 1115 CA ALA A 71 0.492 -12.763 2.010 1.00 0.00 C ATOM 1116 C ALA A 71 -0.269 -14.051 2.302 1.00 0.00 C ATOM 1117 O ALA A 71 0.093 -14.804 3.202 1.00 0.00 O ATOM 1118 CB ALA A 71 1.907 -12.841 2.571 1.00 0.00 C ATOM 0 H ALA A 71 -0.594 -10.976 1.831 1.00 0.00 H new ATOM 0 HA ALA A 71 0.557 -12.644 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.414 -13.713 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.456 -11.940 2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.864 -12.926 3.657 1.00 0.00 H new ATOM 1124 N ASN A 72 -1.336 -14.280 1.535 1.00 0.00 N ATOM 1125 CA ASN A 72 -2.177 -15.467 1.684 1.00 0.00 C ATOM 1126 C ASN A 72 -2.603 -15.689 3.134 1.00 0.00 C ATOM 1127 O ASN A 72 -2.739 -16.820 3.575 1.00 0.00 O ATOM 1128 CB ASN A 72 -1.480 -16.716 1.120 1.00 0.00 C ATOM 1129 CG ASN A 72 -0.282 -17.166 1.936 1.00 0.00 C ATOM 1130 OD1 ASN A 72 -0.340 -17.248 3.161 1.00 0.00 O ATOM 1131 ND2 ASN A 72 0.820 -17.461 1.254 1.00 0.00 N ATOM 0 H ASN A 72 -1.641 -13.648 0.794 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.083 -15.291 1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.201 -17.532 1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.157 -16.512 0.099 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.658 -17.768 1.747 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.828 -17.380 0.237 1.00 0.00 H new ATOM 1138 N LEU A 73 -2.805 -14.580 3.845 1.00 0.00 N ATOM 1139 CA LEU A 73 -3.233 -14.568 5.252 1.00 0.00 C ATOM 1140 C LEU A 73 -4.681 -15.043 5.445 1.00 0.00 C ATOM 1141 O LEU A 73 -5.610 -14.241 5.355 1.00 0.00 O ATOM 1142 CB LEU A 73 -3.078 -13.160 5.838 1.00 0.00 C ATOM 1143 CG LEU A 73 -3.358 -13.047 7.341 1.00 0.00 C ATOM 1144 CD1 LEU A 73 -2.164 -12.436 8.059 1.00 0.00 C ATOM 1145 CD2 LEU A 73 -4.611 -12.219 7.584 1.00 0.00 C ATOM 0 H LEU A 73 -2.675 -13.646 3.457 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.588 -15.272 5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.063 -12.813 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.751 -12.486 5.307 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.523 -14.047 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.379 -12.363 9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.287 -13.066 7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.969 -11.441 7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.798 -12.147 8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.472 -11.219 7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.462 -12.696 7.099 1.00 0.00 H new ATOM 1157 N PRO A 74 -4.917 -16.357 5.674 1.00 0.00 N ATOM 1158 CA PRO A 74 -6.274 -16.880 5.863 1.00 0.00 C ATOM 1159 C PRO A 74 -6.888 -16.468 7.197 1.00 0.00 C ATOM 1160 O PRO A 74 -7.407 -17.303 7.938 1.00 0.00 O ATOM 1161 CB PRO A 74 -6.075 -18.394 5.809 1.00 0.00 C ATOM 1162 CG PRO A 74 -4.685 -18.602 6.300 1.00 0.00 C ATOM 1163 CD PRO A 74 -3.897 -17.412 5.828 1.00 0.00 C ATOM 0 HA PRO A 74 -6.964 -16.495 5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.800 -18.913 6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.200 -18.775 4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.662 -18.679 7.387 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.267 -19.528 5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.131 -17.127 6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.387 -17.617 4.887 1.00 0.00 H new ATOM 1171 N ASN A 75 -6.820 -15.173 7.502 1.00 0.00 N ATOM 1172 CA ASN A 75 -7.371 -14.653 8.749 1.00 0.00 C ATOM 1173 C ASN A 75 -6.703 -15.303 9.957 1.00 0.00 C ATOM 1174 O ASN A 75 -7.338 -15.523 10.989 1.00 0.00 O ATOM 1175 CB ASN A 75 -8.880 -14.882 8.799 1.00 0.00 C ATOM 1176 CG ASN A 75 -9.632 -14.013 7.809 1.00 0.00 C ATOM 1177 OD1 ASN A 75 -9.122 -12.992 7.349 1.00 0.00 O ATOM 1178 ND2 ASN A 75 -10.853 -14.416 7.472 1.00 0.00 N ATOM 0 H ASN A 75 -6.390 -14.468 6.904 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.173 -13.582 8.784 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.092 -15.931 8.591 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.242 -14.677 9.806 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.405 -13.872 6.808 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.238 -15.269 7.877 1.00 0.00 H new ATOM 1185 N ARG A 76 -5.419 -15.623 9.817 1.00 0.00 N ATOM 1186 CA ARG A 76 -4.664 -16.247 10.889 1.00 0.00 C ATOM 1187 C ARG A 76 -3.353 -15.506 11.148 1.00 0.00 C ATOM 1188 O ARG A 76 -2.301 -15.908 10.647 1.00 0.00 O ATOM 1189 CB ARG A 76 -4.377 -17.715 10.548 1.00 0.00 C ATOM 1190 CG ARG A 76 -5.631 -18.549 10.350 1.00 0.00 C ATOM 1191 CD ARG A 76 -5.293 -20.018 10.151 1.00 0.00 C ATOM 1192 NE ARG A 76 -5.773 -20.523 8.865 1.00 0.00 N ATOM 1193 CZ ARG A 76 -6.943 -21.138 8.696 1.00 0.00 C ATOM 1194 NH1 ARG A 76 -7.757 -21.331 9.726 1.00 0.00 N ATOM 1195 NH2 ARG A 76 -7.299 -21.563 7.490 1.00 0.00 N ATOM 0 H ARG A 76 -4.882 -15.458 8.966 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.266 -16.199 11.796 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.775 -17.758 9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.780 -18.155 11.347 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.284 -18.438 11.216 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.183 -18.180 9.485 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.213 -20.153 10.213 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.734 -20.604 10.958 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.176 -20.397 8.048 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.489 -21.008 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.651 -21.803 9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.677 -21.419 6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.194 -22.034 7.359 1.00 0.00 H new ATOM 1209 N PRO A 77 -3.398 -14.381 11.889 1.00 0.00 N ATOM 1210 CA PRO A 77 -2.210 -13.589 12.187 1.00 0.00 C ATOM 1211 C PRO A 77 -1.512 -14.034 13.461 1.00 0.00 C ATOM 1212 O PRO A 77 -0.939 -13.222 14.190 1.00 0.00 O ATOM 1213 CB PRO A 77 -2.793 -12.191 12.351 1.00 0.00 C ATOM 1214 CG PRO A 77 -4.138 -12.421 12.965 1.00 0.00 C ATOM 1215 CD PRO A 77 -4.604 -13.784 12.502 1.00 0.00 C ATOM 0 HA PRO A 77 -1.444 -13.674 11.416 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.165 -11.571 12.990 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.876 -11.679 11.392 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.078 -12.382 14.053 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.841 -11.647 12.657 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.969 -14.386 13.334 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.420 -13.705 11.784 1.00 0.00 H new ATOM 1223 N LYS A 78 -1.566 -15.337 13.726 1.00 0.00 N ATOM 1224 CA LYS A 78 -0.928 -15.911 14.903 1.00 0.00 C ATOM 1225 C LYS A 78 0.576 -15.684 14.865 1.00 0.00 C ATOM 1226 O LYS A 78 1.201 -15.402 15.886 1.00 0.00 O ATOM 1227 CB LYS A 78 -1.230 -17.407 15.006 1.00 0.00 C ATOM 1228 CG LYS A 78 -2.684 -17.713 15.330 1.00 0.00 C ATOM 1229 CD LYS A 78 -2.929 -19.210 15.415 1.00 0.00 C ATOM 1230 CE LYS A 78 -4.379 -19.518 15.745 1.00 0.00 C ATOM 1231 NZ LYS A 78 -4.648 -20.984 15.728 1.00 0.00 N ATOM 0 H LYS A 78 -2.048 -16.016 13.137 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.334 -15.411 15.783 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.967 -17.888 14.064 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.595 -17.845 15.776 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.954 -17.244 16.276 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.328 -17.280 14.564 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.663 -19.678 14.467 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.281 -19.643 16.177 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.622 -19.115 16.728 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.030 -19.020 15.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.648 -21.156 15.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.439 -21.364 14.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.045 -21.456 16.432 1.00 0.00 H new ATOM 1245 N ARG A 79 1.151 -15.807 13.672 1.00 0.00 N ATOM 1246 CA ARG A 79 2.585 -15.616 13.483 1.00 0.00 C ATOM 1247 C ARG A 79 3.004 -14.202 13.873 1.00 0.00 C ATOM 1248 O ARG A 79 2.299 -13.232 13.591 1.00 0.00 O ATOM 1249 CB ARG A 79 2.968 -15.886 12.028 1.00 0.00 C ATOM 1250 CG ARG A 79 2.856 -17.350 11.636 1.00 0.00 C ATOM 1251 CD ARG A 79 3.247 -17.567 10.181 1.00 0.00 C ATOM 1252 NE ARG A 79 3.142 -18.973 9.788 1.00 0.00 N ATOM 1253 CZ ARG A 79 3.387 -19.421 8.558 1.00 0.00 C ATOM 1254 NH1 ARG A 79 3.751 -18.582 7.595 1.00 0.00 N ATOM 1255 NH2 ARG A 79 3.270 -20.715 8.290 1.00 0.00 N ATOM 0 H ARG A 79 0.643 -16.039 12.819 1.00 0.00 H new ATOM 0 HA ARG A 79 3.107 -16.322 14.129 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.327 -15.293 11.375 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.991 -15.550 11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.498 -17.951 12.280 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.834 -17.694 11.795 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.606 -16.963 9.539 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.269 -17.223 10.025 1.00 0.00 H new ATOM 0 HE ARG A 79 2.865 -19.650 10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.845 -17.586 7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.937 -18.933 6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.993 -21.365 9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.457 -21.060 7.348 1.00 0.00 H new ATOM 1269 N GLY A 80 4.155 -14.092 14.532 1.00 0.00 N ATOM 1270 CA GLY A 80 4.649 -12.794 14.953 1.00 0.00 C ATOM 1271 C GLY A 80 5.073 -11.920 13.787 1.00 0.00 C ATOM 1272 O GLY A 80 5.644 -10.847 13.986 1.00 0.00 O ATOM 0 H GLY A 80 4.754 -14.879 14.781 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.873 -12.282 15.522 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.497 -12.933 15.624 1.00 0.00 H new ATOM 1276 N GLU A 81 4.796 -12.374 12.571 1.00 0.00 N ATOM 1277 CA GLU A 81 5.151 -11.625 11.371 1.00 0.00 C ATOM 1278 C GLU A 81 3.935 -10.891 10.813 1.00 0.00 C ATOM 1279 O GLU A 81 2.867 -11.481 10.636 1.00 0.00 O ATOM 1280 CB GLU A 81 5.733 -12.562 10.310 1.00 0.00 C ATOM 1281 CG GLU A 81 6.134 -11.856 9.024 1.00 0.00 C ATOM 1282 CD GLU A 81 6.711 -12.804 7.987 1.00 0.00 C ATOM 1283 OE1 GLU A 81 6.975 -13.976 8.329 1.00 0.00 O ATOM 1284 OE2 GLU A 81 6.896 -12.373 6.829 1.00 0.00 O ATOM 0 H GLU A 81 4.325 -13.260 12.389 1.00 0.00 H new ATOM 0 HA GLU A 81 5.906 -10.887 11.641 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.606 -13.067 10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.999 -13.333 10.077 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.263 -11.353 8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.869 -11.084 9.253 1.00 0.00 H new ATOM 1292 N GLY A 82 4.100 -9.600 10.544 1.00 0.00 N ATOM 1293 CA GLY A 82 3.005 -8.805 10.016 1.00 0.00 C ATOM 1294 C GLY A 82 2.488 -7.800 11.025 1.00 0.00 C ATOM 1295 O GLY A 82 1.412 -7.980 11.596 1.00 0.00 O ATOM 0 H GLY A 82 4.972 -9.089 10.682 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.338 -8.280 9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.192 -9.465 9.714 1.00 0.00 H new ATOM 1299 N ILE A 83 3.262 -6.744 11.251 1.00 0.00 N ATOM 1300 CA ILE A 83 2.883 -5.707 12.203 1.00 0.00 C ATOM 1301 C ILE A 83 2.313 -4.478 11.494 1.00 0.00 C ATOM 1302 O ILE A 83 2.992 -3.854 10.676 1.00 0.00 O ATOM 1303 CB ILE A 83 4.092 -5.286 13.072 1.00 0.00 C ATOM 1304 CG1 ILE A 83 3.662 -4.277 14.142 1.00 0.00 C ATOM 1305 CG2 ILE A 83 5.203 -4.712 12.204 1.00 0.00 C ATOM 1306 CD1 ILE A 83 4.730 -4.003 15.177 1.00 0.00 C ATOM 0 H ILE A 83 4.156 -6.584 10.787 1.00 0.00 H new ATOM 0 HA ILE A 83 2.110 -6.129 12.845 1.00 0.00 H new ATOM 0 HB ILE A 83 4.478 -6.173 13.575 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.388 -3.340 13.657 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.769 -4.650 14.643 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.044 -4.422 12.834 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.530 -5.465 11.486 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.832 -3.838 11.669 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.357 -3.280 15.902 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.988 -4.930 15.688 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.617 -3.601 14.687 1.00 0.00 H new ATOM 1318 N ASN A 84 1.072 -4.144 11.812 1.00 0.00 N ATOM 1319 CA ASN A 84 0.416 -2.992 11.205 1.00 0.00 C ATOM 1320 C ASN A 84 0.732 -1.710 11.967 1.00 0.00 C ATOM 1321 O ASN A 84 0.674 -1.676 13.198 1.00 0.00 O ATOM 1322 CB ASN A 84 -1.103 -3.199 11.174 1.00 0.00 C ATOM 1323 CG ASN A 84 -1.501 -4.422 10.369 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -1.058 -4.598 9.233 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -2.341 -5.269 10.949 1.00 0.00 N ATOM 0 H ASN A 84 0.498 -4.652 12.485 1.00 0.00 H new ATOM 0 HA ASN A 84 0.795 -2.896 10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.474 -3.301 12.194 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.579 -2.316 10.748 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.645 -6.106 10.452 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.683 -5.083 11.892 1.00 0.00 H new ATOM 1332 N VAL A 85 1.103 -0.668 11.240 1.00 0.00 N ATOM 1333 CA VAL A 85 1.454 0.615 11.843 1.00 0.00 C ATOM 1334 C VAL A 85 1.103 1.776 10.909 1.00 0.00 C ATOM 1335 O VAL A 85 0.349 1.598 9.951 1.00 0.00 O ATOM 1336 CB VAL A 85 2.945 0.691 12.241 1.00 0.00 C ATOM 1337 CG1 VAL A 85 3.158 1.664 13.390 1.00 0.00 C ATOM 1338 CG2 VAL A 85 3.498 -0.683 12.615 1.00 0.00 C ATOM 0 H VAL A 85 1.170 -0.683 10.222 1.00 0.00 H new ATOM 0 HA VAL A 85 0.864 0.700 12.755 1.00 0.00 H new ATOM 0 HB VAL A 85 3.489 1.054 11.369 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.217 1.696 13.648 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.827 2.658 13.091 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.583 1.336 14.256 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.549 -0.590 12.889 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.937 -1.084 13.459 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.403 -1.357 11.764 1.00 0.00 H new ATOM 1348 N ARG A 86 1.681 2.946 11.153 1.00 0.00 N ATOM 1349 CA ARG A 86 1.408 4.125 10.329 1.00 0.00 C ATOM 1350 C ARG A 86 2.047 3.956 8.944 1.00 0.00 C ATOM 1351 O ARG A 86 3.140 4.459 8.696 1.00 0.00 O ATOM 1352 CB ARG A 86 1.952 5.373 10.991 1.00 0.00 C ATOM 1353 CG ARG A 86 1.175 5.784 12.241 1.00 0.00 C ATOM 1354 CD ARG A 86 1.756 7.043 12.870 1.00 0.00 C ATOM 1355 NE ARG A 86 3.151 6.868 13.267 1.00 0.00 N ATOM 1356 CZ ARG A 86 3.864 7.796 13.900 1.00 0.00 C ATOM 1357 NH1 ARG A 86 3.319 8.966 14.216 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.126 7.550 14.221 1.00 0.00 N ATOM 0 H ARG A 86 2.342 3.107 11.913 1.00 0.00 H new ATOM 0 HA ARG A 86 0.328 4.227 10.219 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.996 5.208 11.259 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.933 6.194 10.274 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.130 5.954 11.982 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.195 4.971 12.967 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.682 7.868 12.162 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.163 7.318 13.743 1.00 0.00 H new ATOM 0 HE ARG A 86 3.605 5.982 13.046 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.347 9.158 13.973 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.873 9.672 14.701 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.547 6.652 13.983 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.676 8.259 14.706 1.00 0.00 H new ATOM 1372 N ALA A 87 1.329 3.287 8.052 1.00 0.00 N ATOM 1373 CA ALA A 87 1.813 3.059 6.697 1.00 0.00 C ATOM 1374 C ALA A 87 0.879 3.700 5.671 1.00 0.00 C ATOM 1375 O ALA A 87 -0.336 3.735 5.862 1.00 0.00 O ATOM 1376 CB ALA A 87 1.958 1.572 6.420 1.00 0.00 C ATOM 0 H ALA A 87 0.408 2.892 8.243 1.00 0.00 H new ATOM 0 HA ALA A 87 2.794 3.525 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.321 1.425 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 87 2.668 1.138 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.990 1.085 6.534 1.00 0.00 H new ATOM 1382 N ARG A 88 1.459 4.216 4.590 1.00 0.00 N ATOM 1383 CA ARG A 88 0.674 4.862 3.538 1.00 0.00 C ATOM 1384 C ARG A 88 0.734 4.069 2.239 1.00 0.00 C ATOM 1385 O ARG A 88 1.812 3.732 1.748 1.00 0.00 O ATOM 1386 CB ARG A 88 1.182 6.291 3.302 1.00 0.00 C ATOM 1387 CG ARG A 88 0.416 7.040 2.221 1.00 0.00 C ATOM 1388 CD ARG A 88 0.958 8.448 2.026 1.00 0.00 C ATOM 1389 NE ARG A 88 0.659 9.310 3.169 1.00 0.00 N ATOM 1390 CZ ARG A 88 0.956 10.609 3.221 1.00 0.00 C ATOM 1391 NH1 ARG A 88 1.560 11.203 2.200 1.00 0.00 N ATOM 1392 NH2 ARG A 88 0.645 11.315 4.300 1.00 0.00 N ATOM 0 H ARG A 88 2.464 4.200 4.419 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.364 4.898 3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.116 6.850 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.236 6.252 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.481 6.491 1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.639 7.089 2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.037 8.404 1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.528 8.881 1.123 1.00 0.00 H new ATOM 0 HE ARG A 88 0.195 8.892 3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.801 10.666 1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.784 12.197 2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.180 10.864 5.088 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.871 12.309 4.342 1.00 0.00 H new ATOM 1406 N ILE A 89 -0.440 3.780 1.683 1.00 0.00 N ATOM 1407 CA ILE A 89 -0.541 3.035 0.436 1.00 0.00 C ATOM 1408 C ILE A 89 -1.205 3.887 -0.643 1.00 0.00 C ATOM 1409 O ILE A 89 -2.334 4.349 -0.472 1.00 0.00 O ATOM 1410 CB ILE A 89 -1.337 1.726 0.630 1.00 0.00 C ATOM 1411 CG1 ILE A 89 -1.341 0.901 -0.659 1.00 0.00 C ATOM 1412 CG2 ILE A 89 -2.761 2.020 1.085 1.00 0.00 C ATOM 1413 CD1 ILE A 89 -1.892 -0.497 -0.478 1.00 0.00 C ATOM 0 H ILE A 89 -1.338 4.053 2.081 1.00 0.00 H new ATOM 0 HA ILE A 89 0.471 2.780 0.120 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.846 1.142 1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.932 1.421 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.323 0.835 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.302 1.083 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.736 2.559 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.265 2.629 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.865 -1.025 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.287 -1.035 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.921 -0.439 -0.124 1.00 0.00 H new ATOM 1425 N THR A 90 -0.504 4.095 -1.751 1.00 0.00 N ATOM 1426 CA THR A 90 -1.035 4.899 -2.846 1.00 0.00 C ATOM 1427 C THR A 90 -1.134 4.079 -4.131 1.00 0.00 C ATOM 1428 O THR A 90 -0.170 3.441 -4.552 1.00 0.00 O ATOM 1429 CB THR A 90 -0.157 6.133 -3.069 1.00 0.00 C ATOM 1430 OG1 THR A 90 -0.111 6.930 -1.898 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.631 7.018 -4.202 1.00 0.00 C ATOM 0 H THR A 90 0.430 3.720 -1.915 1.00 0.00 H new ATOM 0 HA THR A 90 -2.039 5.223 -2.574 1.00 0.00 H new ATOM 0 HB THR A 90 0.827 5.740 -3.326 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.456 7.713 -2.058 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.039 7.872 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.634 6.449 -5.132 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.640 7.371 -3.990 1.00 0.00 H new ATOM 1439 N CYS A 91 -2.305 4.123 -4.756 1.00 0.00 N ATOM 1440 CA CYS A 91 -2.544 3.402 -6.000 1.00 0.00 C ATOM 1441 C CYS A 91 -3.152 4.335 -7.041 1.00 0.00 C ATOM 1442 O CYS A 91 -3.997 5.168 -6.716 1.00 0.00 O ATOM 1443 CB CYS A 91 -3.475 2.212 -5.758 1.00 0.00 C ATOM 1444 SG CYS A 91 -2.829 1.003 -4.577 1.00 0.00 S ATOM 0 H CYS A 91 -3.108 4.654 -4.419 1.00 0.00 H new ATOM 0 HA CYS A 91 -1.590 3.030 -6.372 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -4.434 2.582 -5.396 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -3.664 1.712 -6.708 1.00 0.00 H new ATOM 0 HG CYS A 91 -2.059 0.159 -5.197 1.00 0.00 H new ATOM 1450 N PHE A 92 -2.717 4.201 -8.288 1.00 0.00 N ATOM 1451 CA PHE A 92 -3.231 5.052 -9.359 1.00 0.00 C ATOM 1452 C PHE A 92 -4.418 4.404 -10.072 1.00 0.00 C ATOM 1453 O PHE A 92 -4.841 4.855 -11.136 1.00 0.00 O ATOM 1454 CB PHE A 92 -2.109 5.391 -10.358 1.00 0.00 C ATOM 1455 CG PHE A 92 -1.797 4.291 -11.343 1.00 0.00 C ATOM 1456 CD1 PHE A 92 -1.766 2.965 -10.938 1.00 0.00 C ATOM 1457 CD2 PHE A 92 -1.548 4.587 -12.675 1.00 0.00 C ATOM 1458 CE1 PHE A 92 -1.491 1.956 -11.842 1.00 0.00 C ATOM 1459 CE2 PHE A 92 -1.273 3.581 -13.582 1.00 0.00 C ATOM 1460 CZ PHE A 92 -1.245 2.265 -13.166 1.00 0.00 C ATOM 0 H PHE A 92 -2.017 3.520 -8.583 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.589 5.978 -8.909 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.390 6.288 -10.910 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.203 5.631 -9.801 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.959 2.718 -9.905 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.569 5.614 -13.007 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.468 0.927 -11.514 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.080 3.825 -14.616 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.031 1.478 -13.874 1.00 0.00 H new ATOM 1470 N ASN A 93 -4.937 3.345 -9.478 1.00 0.00 N ATOM 1471 CA ASN A 93 -6.068 2.626 -10.048 1.00 0.00 C ATOM 1472 C ASN A 93 -7.379 3.037 -9.387 1.00 0.00 C ATOM 1473 O ASN A 93 -7.676 2.627 -8.266 1.00 0.00 O ATOM 1474 CB ASN A 93 -5.869 1.118 -9.904 1.00 0.00 C ATOM 1475 CG ASN A 93 -6.932 0.328 -10.637 1.00 0.00 C ATOM 1476 OD1 ASN A 93 -7.815 -0.318 -9.884 1.00 0.00 O flip ATOM 1477 ND2 ASN A 93 -6.967 0.302 -11.867 1.00 0.00 N flip ATOM 0 H ASN A 93 -4.594 2.961 -8.598 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.122 2.883 -11.106 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.886 0.845 -10.288 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.884 0.851 -8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.269 0.813 -12.408 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.694 -0.230 -12.345 1.00 0.00 H new ATOM 1484 N CYS A 94 -8.169 3.827 -10.101 1.00 0.00 N ATOM 1485 CA CYS A 94 -9.461 4.272 -9.600 1.00 0.00 C ATOM 1486 C CYS A 94 -10.493 4.258 -10.719 1.00 0.00 C ATOM 1487 O CYS A 94 -11.535 3.628 -10.602 1.00 0.00 O ATOM 1488 CB CYS A 94 -9.352 5.680 -9.004 1.00 0.00 C ATOM 1489 SG CYS A 94 -8.677 5.720 -7.328 1.00 0.00 S ATOM 0 H CYS A 94 -7.936 4.173 -11.032 1.00 0.00 H new ATOM 0 HA CYS A 94 -9.780 3.586 -8.815 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.723 6.290 -9.652 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.341 6.138 -8.997 1.00 0.00 H new ATOM 0 HG CYS A 94 -8.103 6.868 -7.118 1.00 0.00 H new ATOM 1495 N TYR A 95 -10.157 4.966 -11.795 1.00 0.00 N ATOM 1496 CA TYR A 95 -10.990 5.093 -13.004 1.00 0.00 C ATOM 1497 C TYR A 95 -11.043 3.787 -13.812 1.00 0.00 C ATOM 1498 O TYR A 95 -10.167 3.540 -14.636 1.00 0.00 O ATOM 1499 CB TYR A 95 -10.494 6.239 -13.878 1.00 0.00 C ATOM 1500 CG TYR A 95 -11.548 7.297 -14.083 1.00 0.00 C ATOM 1501 CD1 TYR A 95 -12.782 6.970 -14.629 1.00 0.00 C ATOM 1502 CD2 TYR A 95 -11.320 8.616 -13.716 1.00 0.00 C ATOM 1503 CE1 TYR A 95 -13.760 7.927 -14.803 1.00 0.00 C ATOM 1504 CE2 TYR A 95 -12.292 9.582 -13.892 1.00 0.00 C ATOM 1505 CZ TYR A 95 -13.511 9.230 -14.435 1.00 0.00 C ATOM 1506 OH TYR A 95 -14.483 10.184 -14.602 1.00 0.00 O ATOM 0 H TYR A 95 -9.279 5.482 -11.859 1.00 0.00 H new ATOM 0 HA TYR A 95 -12.005 5.311 -12.673 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -9.614 6.689 -13.418 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.182 5.847 -14.846 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -12.979 5.950 -14.922 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.368 8.891 -13.286 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.716 7.656 -15.226 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.099 10.606 -13.607 1.00 0.00 H new ATOM 0 HH TYR A 95 -14.147 11.051 -14.292 1.00 0.00 H new ATOM 1766 N GLN A 111 -18.108 9.644 -13.323 1.00 0.00 N ATOM 1767 CA GLN A 111 -19.306 8.839 -13.528 1.00 0.00 C ATOM 1768 C GLN A 111 -19.569 7.917 -12.339 1.00 0.00 C ATOM 1769 O GLN A 111 -20.718 7.742 -11.925 1.00 0.00 O ATOM 1770 CB GLN A 111 -19.166 8.004 -14.803 1.00 0.00 C ATOM 1771 CG GLN A 111 -19.213 8.826 -16.079 1.00 0.00 C ATOM 1772 CD GLN A 111 -20.519 9.579 -16.238 1.00 0.00 C ATOM 1773 OE1 GLN A 111 -21.601 9.003 -16.110 1.00 0.00 O ATOM 1774 NE2 GLN A 111 -20.428 10.875 -16.512 1.00 0.00 N ATOM 0 HA GLN A 111 -20.151 9.520 -13.626 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -18.223 7.458 -14.768 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -19.964 7.262 -14.830 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -18.386 9.536 -16.080 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -19.070 8.168 -16.936 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -19.512 11.312 -16.610 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -21.274 11.433 -16.625 1.00 0.00 H new ATOM 1783 N LEU A 112 -18.513 7.328 -11.790 1.00 0.00 N ATOM 1784 CA LEU A 112 -18.657 6.427 -10.649 1.00 0.00 C ATOM 1785 C LEU A 112 -17.668 6.766 -9.533 1.00 0.00 C ATOM 1786 O LEU A 112 -17.410 5.943 -8.656 1.00 0.00 O ATOM 1787 CB LEU A 112 -18.475 4.972 -11.089 1.00 0.00 C ATOM 1788 CG LEU A 112 -17.048 4.582 -11.487 1.00 0.00 C ATOM 1789 CD1 LEU A 112 -16.938 3.074 -11.666 1.00 0.00 C ATOM 1790 CD2 LEU A 112 -16.633 5.304 -12.759 1.00 0.00 C ATOM 0 H LEU A 112 -17.554 7.456 -12.112 1.00 0.00 H new ATOM 0 HA LEU A 112 -19.665 6.558 -10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -18.799 4.321 -10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -19.136 4.780 -11.934 1.00 0.00 H new ATOM 0 HG LEU A 112 -16.372 4.883 -10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.918 2.815 -11.949 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -17.193 2.577 -10.730 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -17.625 2.749 -12.448 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -15.617 5.015 -13.026 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -17.312 5.035 -13.568 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -16.673 6.381 -12.596 1.00 0.00 H new ATOM 1802 N VAL A 113 -17.092 7.963 -9.588 1.00 0.00 N ATOM 1803 CA VAL A 113 -16.135 8.389 -8.576 1.00 0.00 C ATOM 1804 C VAL A 113 -16.765 8.403 -7.189 1.00 0.00 C ATOM 1805 O VAL A 113 -16.160 7.959 -6.213 1.00 0.00 O ATOM 1806 CB VAL A 113 -15.567 9.792 -8.901 1.00 0.00 C ATOM 1807 CG1 VAL A 113 -14.562 10.244 -7.847 1.00 0.00 C ATOM 1808 CG2 VAL A 113 -14.938 9.803 -10.284 1.00 0.00 C ATOM 0 H VAL A 113 -17.271 8.651 -10.319 1.00 0.00 H new ATOM 0 HA VAL A 113 -15.319 7.666 -8.583 1.00 0.00 H new ATOM 0 HB VAL A 113 -16.396 10.500 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -14.183 11.233 -8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -15.050 10.286 -6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.734 9.537 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -14.544 10.797 -10.496 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -14.127 9.075 -10.321 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -15.691 9.545 -11.028 1.00 0.00 H new ATOM 1818 N LYS A 114 -17.992 8.913 -7.106 1.00 0.00 N ATOM 1819 CA LYS A 114 -18.699 8.985 -5.836 1.00 0.00 C ATOM 1820 C LYS A 114 -18.946 7.589 -5.265 1.00 0.00 C ATOM 1821 O LYS A 114 -18.813 7.366 -4.062 1.00 0.00 O ATOM 1822 CB LYS A 114 -20.034 9.712 -6.023 1.00 0.00 C ATOM 1823 CG LYS A 114 -20.853 9.835 -4.749 1.00 0.00 C ATOM 1824 CD LYS A 114 -22.162 10.564 -5.001 1.00 0.00 C ATOM 1825 CE LYS A 114 -23.332 9.845 -4.352 1.00 0.00 C ATOM 1826 NZ LYS A 114 -24.608 10.597 -4.508 1.00 0.00 N ATOM 0 H LYS A 114 -18.513 9.281 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 114 -18.078 9.539 -5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -19.841 10.710 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -20.623 9.182 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -21.059 8.842 -4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -20.276 10.369 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -22.095 11.579 -4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -22.334 10.646 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -23.439 8.855 -4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -23.125 9.700 -3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -25.379 10.070 -4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -24.516 11.533 -4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -24.821 10.714 -5.519 1.00 0.00 H new ATOM 1840 N ARG A 115 -19.299 6.652 -6.138 1.00 0.00 N ATOM 1841 CA ARG A 115 -19.571 5.280 -5.722 1.00 0.00 C ATOM 1842 C ARG A 115 -18.329 4.633 -5.111 1.00 0.00 C ATOM 1843 O ARG A 115 -18.422 3.904 -4.124 1.00 0.00 O ATOM 1844 CB ARG A 115 -20.056 4.452 -6.910 1.00 0.00 C ATOM 1845 CG ARG A 115 -21.449 4.836 -7.388 1.00 0.00 C ATOM 1846 CD ARG A 115 -21.886 3.983 -8.569 1.00 0.00 C ATOM 1847 NE ARG A 115 -23.222 4.346 -9.043 1.00 0.00 N ATOM 1848 CZ ARG A 115 -23.869 3.703 -10.016 1.00 0.00 C ATOM 1849 NH1 ARG A 115 -23.307 2.665 -10.623 1.00 0.00 N ATOM 1850 NH2 ARG A 115 -25.079 4.100 -10.382 1.00 0.00 N ATOM 0 H ARG A 115 -19.404 6.817 -7.139 1.00 0.00 H new ATOM 0 HA ARG A 115 -20.352 5.309 -4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -19.353 4.567 -7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -20.053 3.398 -6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -22.161 4.720 -6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -21.460 5.888 -7.673 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -21.170 4.096 -9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -21.877 2.932 -8.280 1.00 0.00 H new ATOM 0 HE ARG A 115 -23.687 5.140 -8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -22.376 2.355 -10.346 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -23.807 2.177 -11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -25.516 4.897 -9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -25.574 3.608 -11.126 1.00 0.00 H new ATOM 1864 N HIS A 116 -17.173 4.900 -5.711 1.00 0.00 N ATOM 1865 CA HIS A 116 -15.918 4.326 -5.236 1.00 0.00 C ATOM 1866 C HIS A 116 -15.616 4.775 -3.809 1.00 0.00 C ATOM 1867 O HIS A 116 -15.157 3.983 -2.985 1.00 0.00 O ATOM 1868 CB HIS A 116 -14.765 4.729 -6.165 1.00 0.00 C ATOM 1869 CG HIS A 116 -13.433 4.181 -5.747 1.00 0.00 C ATOM 1870 ND1 HIS A 116 -13.110 2.841 -5.822 1.00 0.00 N ATOM 1871 CD2 HIS A 116 -12.339 4.800 -5.245 1.00 0.00 C ATOM 1872 CE1 HIS A 116 -11.877 2.663 -5.385 1.00 0.00 C ATOM 1873 NE2 HIS A 116 -11.387 3.836 -5.028 1.00 0.00 N ATOM 0 H HIS A 116 -17.079 5.508 -6.524 1.00 0.00 H new ATOM 0 HA HIS A 116 -16.020 3.241 -5.241 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -14.988 4.386 -7.175 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -14.704 5.817 -6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -12.235 5.857 -5.051 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -11.357 1.718 -5.329 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -10.453 3.999 -4.652 1.00 0.00 H new ATOM 1882 N ILE A 117 -15.882 6.043 -3.517 1.00 0.00 N ATOM 1883 CA ILE A 117 -15.631 6.583 -2.191 1.00 0.00 C ATOM 1884 C ILE A 117 -16.540 5.916 -1.157 1.00 0.00 C ATOM 1885 O ILE A 117 -16.108 5.609 -0.045 1.00 0.00 O ATOM 1886 CB ILE A 117 -15.851 8.117 -2.164 1.00 0.00 C ATOM 1887 CG1 ILE A 117 -14.901 8.797 -3.153 1.00 0.00 C ATOM 1888 CG2 ILE A 117 -15.634 8.685 -0.763 1.00 0.00 C ATOM 1889 CD1 ILE A 117 -13.440 8.536 -2.868 1.00 0.00 C ATOM 0 H ILE A 117 -16.271 6.713 -4.181 1.00 0.00 H new ATOM 0 HA ILE A 117 -14.591 6.374 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 117 -16.883 8.315 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -15.133 8.453 -4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -15.079 9.872 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -15.796 9.763 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -16.337 8.222 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -14.614 8.476 -0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -12.827 9.049 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -13.192 8.906 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -13.246 7.465 -2.916 1.00 0.00 H new ATOM 1901 N GLU A 118 -17.796 5.696 -1.527 1.00 0.00 N ATOM 1902 CA GLU A 118 -18.756 5.073 -0.621 1.00 0.00 C ATOM 1903 C GLU A 118 -18.323 3.653 -0.260 1.00 0.00 C ATOM 1904 O GLU A 118 -18.453 3.230 0.890 1.00 0.00 O ATOM 1905 CB GLU A 118 -20.142 5.045 -1.262 1.00 0.00 C ATOM 1906 CG GLU A 118 -20.788 6.418 -1.373 1.00 0.00 C ATOM 1907 CD GLU A 118 -22.163 6.370 -2.012 1.00 0.00 C ATOM 1908 OE1 GLU A 118 -23.164 6.407 -1.265 1.00 0.00 O ATOM 1909 OE2 GLU A 118 -22.237 6.300 -3.256 1.00 0.00 O ATOM 0 H GLU A 118 -18.173 5.938 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 118 -18.794 5.665 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -20.064 4.607 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -20.791 4.393 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -20.869 6.858 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -20.142 7.072 -1.959 1.00 0.00 H new ATOM 1917 N ARG A 119 -17.811 2.922 -1.243 1.00 0.00 N ATOM 1918 CA ARG A 119 -17.366 1.551 -1.026 1.00 0.00 C ATOM 1919 C ARG A 119 -16.241 1.487 0.008 1.00 0.00 C ATOM 1920 O ARG A 119 -16.235 0.616 0.879 1.00 0.00 O ATOM 1921 CB ARG A 119 -16.907 0.926 -2.344 1.00 0.00 C ATOM 1922 CG ARG A 119 -16.426 -0.509 -2.208 1.00 0.00 C ATOM 1923 CD ARG A 119 -17.527 -1.412 -1.679 1.00 0.00 C ATOM 1924 NE ARG A 119 -17.086 -2.799 -1.543 1.00 0.00 N ATOM 1925 CZ ARG A 119 -17.212 -3.718 -2.498 1.00 0.00 C ATOM 1926 NH1 ARG A 119 -17.767 -3.406 -3.665 1.00 0.00 N ATOM 1927 NH2 ARG A 119 -16.785 -4.956 -2.289 1.00 0.00 N ATOM 0 H ARG A 119 -17.694 3.256 -2.199 1.00 0.00 H new ATOM 0 HA ARG A 119 -18.212 0.983 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.731 0.957 -3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -16.102 1.531 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -16.087 -0.875 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -15.569 -0.545 -1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -17.863 -1.043 -0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -18.384 -1.369 -2.351 1.00 0.00 H new ATOM 0 HE ARG A 119 -16.655 -3.080 -0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -18.100 -2.457 -3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -17.860 -4.116 -4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -16.360 -5.205 -1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -16.882 -5.659 -3.021 1.00 0.00 H new ATOM 1941 N LEU A 120 -15.289 2.407 -0.102 1.00 0.00 N ATOM 1942 CA LEU A 120 -14.155 2.452 0.821 1.00 0.00 C ATOM 1943 C LEU A 120 -14.599 2.877 2.217 1.00 0.00 C ATOM 1944 O LEU A 120 -14.100 2.368 3.219 1.00 0.00 O ATOM 1945 CB LEU A 120 -13.067 3.392 0.304 1.00 0.00 C ATOM 1946 CG LEU A 120 -13.478 4.857 0.165 1.00 0.00 C ATOM 1947 CD1 LEU A 120 -13.299 5.588 1.485 1.00 0.00 C ATOM 1948 CD2 LEU A 120 -12.672 5.531 -0.935 1.00 0.00 C ATOM 0 H LEU A 120 -15.278 3.132 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 120 -13.742 1.445 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.211 3.335 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.732 3.032 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 120 -14.533 4.897 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.597 6.630 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -13.919 5.118 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.253 5.541 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -12.976 6.574 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.611 5.482 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -12.851 5.021 -1.882 1.00 0.00 H new ATOM 1960 N LYS A 121 -15.541 3.814 2.275 1.00 0.00 N ATOM 1961 CA LYS A 121 -16.049 4.309 3.552 1.00 0.00 C ATOM 1962 C LYS A 121 -16.668 3.171 4.360 1.00 0.00 C ATOM 1963 O LYS A 121 -16.490 3.094 5.579 1.00 0.00 O ATOM 1964 CB LYS A 121 -17.079 5.414 3.319 1.00 0.00 C ATOM 1965 CG LYS A 121 -16.477 6.701 2.775 1.00 0.00 C ATOM 1966 CD LYS A 121 -17.540 7.765 2.562 1.00 0.00 C ATOM 1967 CE LYS A 121 -16.941 9.051 2.017 1.00 0.00 C ATOM 1968 NZ LYS A 121 -15.995 9.678 2.982 1.00 0.00 N ATOM 0 H LYS A 121 -15.968 4.245 1.455 1.00 0.00 H new ATOM 0 HA LYS A 121 -15.215 4.721 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -17.835 5.053 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -17.588 5.629 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -15.722 7.073 3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -15.970 6.497 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -18.295 7.393 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -18.046 7.969 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -16.420 8.841 1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -17.741 9.754 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -15.766 10.642 2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -16.434 9.716 3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.123 9.114 3.030 1.00 0.00 H new ATOM 1982 N LYS A 122 -17.409 2.300 3.680 1.00 0.00 N ATOM 1983 CA LYS A 122 -18.048 1.167 4.338 1.00 0.00 C ATOM 1984 C LYS A 122 -17.013 0.257 4.988 1.00 0.00 C ATOM 1985 O LYS A 122 -17.214 -0.235 6.091 1.00 0.00 O ATOM 1986 CB LYS A 122 -18.868 0.363 3.320 1.00 0.00 C ATOM 1987 CG LYS A 122 -19.948 1.176 2.621 1.00 0.00 C ATOM 1988 CD LYS A 122 -20.848 1.888 3.616 1.00 0.00 C ATOM 1989 CE LYS A 122 -22.023 2.561 2.925 1.00 0.00 C ATOM 1990 NZ LYS A 122 -22.961 3.181 3.902 1.00 0.00 N ATOM 0 H LYS A 122 -17.581 2.358 2.676 1.00 0.00 H new ATOM 0 HA LYS A 122 -18.707 1.555 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -18.194 -0.049 2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -19.334 -0.481 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -19.482 1.909 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -20.549 0.519 1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -21.218 1.172 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.270 2.634 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -21.653 3.325 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -22.559 1.827 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -23.748 3.629 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -23.334 2.448 4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -22.457 3.899 4.460 1.00 0.00 H new ATOM 2004 N ASN A 123 -15.884 0.091 4.291 1.00 0.00 N ATOM 2005 CA ASN A 123 -14.765 -0.749 4.759 1.00 0.00 C ATOM 2006 C ASN A 123 -14.064 -0.074 5.945 1.00 0.00 C ATOM 2007 O ASN A 123 -13.200 0.779 5.757 1.00 0.00 O ATOM 2008 CB ASN A 123 -13.772 -0.971 3.615 1.00 0.00 C ATOM 2009 CG ASN A 123 -14.315 -1.933 2.574 1.00 0.00 C ATOM 2010 OD1 ASN A 123 -14.253 -1.664 1.375 1.00 0.00 O ATOM 2011 ND2 ASN A 123 -14.846 -3.062 3.029 1.00 0.00 N ATOM 0 H ASN A 123 -15.716 0.533 3.387 1.00 0.00 H new ATOM 0 HA ASN A 123 -15.153 -1.714 5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -13.543 -0.016 3.142 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -12.836 -1.360 4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -15.224 -3.748 2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -14.876 -3.243 4.032 1.00 0.00 H new ATOM 2018 N PRO A 124 -14.364 -0.500 7.197 1.00 0.00 N ATOM 2019 CA PRO A 124 -13.761 0.123 8.376 1.00 0.00 C ATOM 2020 C PRO A 124 -12.436 -0.564 8.741 1.00 0.00 C ATOM 2021 O PRO A 124 -12.036 -0.588 9.903 1.00 0.00 O ATOM 2022 CB PRO A 124 -14.789 -0.157 9.468 1.00 0.00 C ATOM 2023 CG PRO A 124 -15.430 -1.444 9.067 1.00 0.00 C ATOM 2024 CD PRO A 124 -15.395 -1.488 7.560 1.00 0.00 C ATOM 0 HA PRO A 124 -13.537 1.180 8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -14.315 -0.239 10.446 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -15.523 0.646 9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -14.895 -2.293 9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -16.455 -1.497 9.433 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -15.140 -2.483 7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -16.363 -1.230 7.131 1.00 0.00 H new ATOM 2032 N ASN A 125 -11.732 -1.047 7.720 1.00 0.00 N ATOM 2033 CA ASN A 125 -10.444 -1.704 7.918 1.00 0.00 C ATOM 2034 C ASN A 125 -9.305 -0.731 7.593 1.00 0.00 C ATOM 2035 O ASN A 125 -8.170 -0.927 8.028 1.00 0.00 O ATOM 2036 CB ASN A 125 -10.328 -2.948 7.037 1.00 0.00 C ATOM 2037 CG ASN A 125 -11.239 -4.069 7.507 1.00 0.00 C ATOM 2038 OD1 ASN A 125 -11.668 -4.092 8.659 1.00 0.00 O ATOM 2039 ND2 ASN A 125 -11.532 -5.007 6.613 1.00 0.00 N ATOM 0 H ASN A 125 -12.033 -0.995 6.747 1.00 0.00 H new ATOM 0 HA ASN A 125 -10.372 -2.010 8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -10.576 -2.687 6.008 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -9.295 -3.297 7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -12.136 -5.787 6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -11.153 -4.947 5.668 1.00 0.00 H new ATOM 2046 N SER A 126 -9.626 0.309 6.830 1.00 0.00 N ATOM 2047 CA SER A 126 -8.638 1.314 6.445 1.00 0.00 C ATOM 2048 C SER A 126 -9.180 2.720 6.695 1.00 0.00 C ATOM 2049 O SER A 126 -10.391 2.937 6.676 1.00 0.00 O ATOM 2050 CB SER A 126 -8.260 1.156 4.970 1.00 0.00 C ATOM 2051 OG SER A 126 -9.393 1.309 4.133 1.00 0.00 O ATOM 0 H SER A 126 -10.563 0.479 6.465 1.00 0.00 H new ATOM 0 HA SER A 126 -7.747 1.167 7.055 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.505 1.896 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.815 0.174 4.809 1.00 0.00 H new ATOM 0 HG SER A 126 -9.124 1.205 3.196 1.00 0.00 H new ATOM 2057 N LYS A 127 -8.281 3.668 6.934 1.00 0.00 N ATOM 2058 CA LYS A 127 -8.684 5.046 7.189 1.00 0.00 C ATOM 2059 C LYS A 127 -8.530 5.902 5.934 1.00 0.00 C ATOM 2060 O LYS A 127 -7.466 5.926 5.314 1.00 0.00 O ATOM 2061 CB LYS A 127 -7.856 5.639 8.333 1.00 0.00 C ATOM 2062 CG LYS A 127 -8.221 7.075 8.672 1.00 0.00 C ATOM 2063 CD LYS A 127 -7.371 7.611 9.812 1.00 0.00 C ATOM 2064 CE LYS A 127 -7.735 9.047 10.150 1.00 0.00 C ATOM 2065 NZ LYS A 127 -6.979 9.550 11.330 1.00 0.00 N ATOM 0 H LYS A 127 -7.274 3.509 6.957 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.736 5.043 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -7.986 5.021 9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -6.800 5.595 8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.088 7.703 7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -9.275 7.129 8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.505 6.984 10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.317 7.556 9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -7.531 9.685 9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.805 9.113 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -7.257 10.533 11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.193 8.957 12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -5.959 9.512 11.131 1.00 0.00 H new ATOM 2079 N PHE A 128 -9.600 6.597 5.566 1.00 0.00 N ATOM 2080 CA PHE A 128 -9.591 7.455 4.383 1.00 0.00 C ATOM 2081 C PHE A 128 -8.708 8.679 4.611 1.00 0.00 C ATOM 2082 O PHE A 128 -8.912 9.437 5.560 1.00 0.00 O ATOM 2083 CB PHE A 128 -11.019 7.889 4.042 1.00 0.00 C ATOM 2084 CG PHE A 128 -11.116 8.776 2.833 1.00 0.00 C ATOM 2085 CD1 PHE A 128 -11.035 10.154 2.961 1.00 0.00 C ATOM 2086 CD2 PHE A 128 -11.295 8.234 1.570 1.00 0.00 C ATOM 2087 CE1 PHE A 128 -11.129 10.974 1.853 1.00 0.00 C ATOM 2088 CE2 PHE A 128 -11.390 9.050 0.458 1.00 0.00 C ATOM 2089 CZ PHE A 128 -11.307 10.421 0.600 1.00 0.00 C ATOM 0 H PHE A 128 -10.487 6.584 6.069 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.181 6.889 3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -11.628 7.000 3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -11.443 8.412 4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -10.897 10.592 3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -11.361 7.162 1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -11.063 12.046 1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -11.529 8.615 -0.521 1.00 0.00 H new ATOM 0 HZ PHE A 128 -11.381 11.060 -0.268 1.00 0.00 H new ATOM 2099 N GLU A 129 -7.739 8.877 3.722 1.00 0.00 N ATOM 2100 CA GLU A 129 -6.829 10.013 3.825 1.00 0.00 C ATOM 2101 C GLU A 129 -7.378 11.203 3.036 1.00 0.00 C ATOM 2102 O GLU A 129 -7.933 12.138 3.615 1.00 0.00 O ATOM 2103 CB GLU A 129 -5.439 9.636 3.308 1.00 0.00 C ATOM 2104 CG GLU A 129 -4.428 10.771 3.384 1.00 0.00 C ATOM 2105 CD GLU A 129 -4.208 11.273 4.800 1.00 0.00 C ATOM 2106 OE1 GLU A 129 -3.550 12.323 4.961 1.00 0.00 O ATOM 2107 OE2 GLU A 129 -4.688 10.616 5.748 1.00 0.00 O ATOM 0 H GLU A 129 -7.564 8.267 2.924 1.00 0.00 H new ATOM 0 HA GLU A 129 -6.745 10.294 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.065 8.789 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -5.524 9.306 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.477 10.432 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -4.769 11.597 2.760 1.00 0.00 H new ATOM 2115 N SER A 130 -7.225 11.159 1.718 1.00 0.00 N ATOM 2116 CA SER A 130 -7.708 12.227 0.853 1.00 0.00 C ATOM 2117 C SER A 130 -7.866 11.731 -0.580 1.00 0.00 C ATOM 2118 O SER A 130 -7.145 10.836 -1.020 1.00 0.00 O ATOM 2119 CB SER A 130 -6.749 13.418 0.893 1.00 0.00 C ATOM 2120 OG SER A 130 -5.527 13.111 0.244 1.00 0.00 O ATOM 0 H SER A 130 -6.769 10.392 1.224 1.00 0.00 H new ATOM 0 HA SER A 130 -8.684 12.546 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 130 -7.213 14.279 0.412 1.00 0.00 H new ATOM 0 HB3 SER A 130 -6.554 13.698 1.928 1.00 0.00 H new ATOM 0 HG SER A 130 -4.932 13.889 0.282 1.00 0.00 H new ATOM 2126 N TYR A 131 -8.817 12.314 -1.303 1.00 0.00 N ATOM 2127 CA TYR A 131 -9.068 11.925 -2.686 1.00 0.00 C ATOM 2128 C TYR A 131 -8.878 13.109 -3.629 1.00 0.00 C ATOM 2129 O TYR A 131 -9.387 14.201 -3.382 1.00 0.00 O ATOM 2130 CB TYR A 131 -10.487 11.363 -2.826 1.00 0.00 C ATOM 2131 CG TYR A 131 -10.834 10.931 -4.234 1.00 0.00 C ATOM 2132 CD1 TYR A 131 -11.410 11.822 -5.132 1.00 0.00 C ATOM 2133 CD2 TYR A 131 -10.591 9.633 -4.663 1.00 0.00 C ATOM 2134 CE1 TYR A 131 -11.731 11.430 -6.418 1.00 0.00 C ATOM 2135 CE2 TYR A 131 -10.909 9.233 -5.948 1.00 0.00 C ATOM 2136 CZ TYR A 131 -11.477 10.137 -6.821 1.00 0.00 C ATOM 2137 OH TYR A 131 -11.796 9.741 -8.100 1.00 0.00 O ATOM 0 H TYR A 131 -9.425 13.056 -0.955 1.00 0.00 H new ATOM 0 HA TYR A 131 -8.349 11.152 -2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -10.598 10.510 -2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -11.202 12.119 -2.501 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -11.610 12.836 -4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -10.146 8.923 -3.981 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -12.179 12.134 -7.104 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -10.714 8.219 -6.266 1.00 0.00 H new ATOM 0 HH TYR A 131 -11.551 8.800 -8.222 1.00 0.00 H new ATOM 2147 N ASP A 132 -8.146 12.881 -4.716 1.00 0.00 N ATOM 2148 CA ASP A 132 -7.897 13.928 -5.700 1.00 0.00 C ATOM 2149 C ASP A 132 -8.647 13.632 -6.995 1.00 0.00 C ATOM 2150 O ASP A 132 -8.364 12.647 -7.675 1.00 0.00 O ATOM 2151 CB ASP A 132 -6.400 14.052 -5.979 1.00 0.00 C ATOM 2152 CG ASP A 132 -5.637 14.633 -4.803 1.00 0.00 C ATOM 2153 OD1 ASP A 132 -4.406 14.442 -4.741 1.00 0.00 O ATOM 2154 OD2 ASP A 132 -6.275 15.278 -3.943 1.00 0.00 O ATOM 0 H ASP A 132 -7.716 11.983 -4.937 1.00 0.00 H new ATOM 0 HA ASP A 132 -8.258 14.873 -5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -5.996 13.069 -6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -6.248 14.683 -6.855 1.00 0.00 H new ATOM 2160 N ALA A 133 -9.608 14.486 -7.324 1.00 0.00 N ATOM 2161 CA ALA A 133 -10.405 14.317 -8.533 1.00 0.00 C ATOM 2162 C ALA A 133 -9.578 14.572 -9.793 1.00 0.00 C ATOM 2163 O ALA A 133 -9.727 13.873 -10.795 1.00 0.00 O ATOM 2164 CB ALA A 133 -11.613 15.240 -8.499 1.00 0.00 C ATOM 0 H ALA A 133 -9.855 15.305 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 133 -10.746 13.282 -8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.200 15.104 -9.407 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -12.228 15.003 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.278 16.275 -8.435 1.00 0.00 H new ATOM 2170 N ASP A 134 -8.718 15.583 -9.736 1.00 0.00 N ATOM 2171 CA ASP A 134 -7.885 15.946 -10.881 1.00 0.00 C ATOM 2172 C ASP A 134 -6.968 14.797 -11.303 1.00 0.00 C ATOM 2173 O ASP A 134 -6.767 14.568 -12.498 1.00 0.00 O ATOM 2174 CB ASP A 134 -7.043 17.180 -10.547 1.00 0.00 C ATOM 2175 CG ASP A 134 -6.116 16.950 -9.370 1.00 0.00 C ATOM 2176 OD1 ASP A 134 -4.885 17.074 -9.551 1.00 0.00 O ATOM 2177 OD2 ASP A 134 -6.617 16.649 -8.267 1.00 0.00 O ATOM 0 H ASP A 134 -8.578 16.166 -8.911 1.00 0.00 H new ATOM 0 HA ASP A 134 -8.551 16.168 -11.715 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -6.454 17.461 -11.420 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -7.704 18.018 -10.326 1.00 0.00 H new ATOM 2183 N SER A 135 -6.399 14.090 -10.334 1.00 0.00 N ATOM 2184 CA SER A 135 -5.498 12.978 -10.632 1.00 0.00 C ATOM 2185 C SER A 135 -6.198 11.630 -10.506 1.00 0.00 C ATOM 2186 O SER A 135 -5.720 10.622 -11.026 1.00 0.00 O ATOM 2187 CB SER A 135 -4.284 13.022 -9.701 1.00 0.00 C ATOM 2188 OG SER A 135 -3.442 14.119 -10.006 1.00 0.00 O ATOM 0 H SER A 135 -6.543 14.264 -9.339 1.00 0.00 H new ATOM 0 HA SER A 135 -5.172 13.088 -11.666 1.00 0.00 H new ATOM 0 HB2 SER A 135 -4.619 13.094 -8.666 1.00 0.00 H new ATOM 0 HB3 SER A 135 -3.721 12.093 -9.790 1.00 0.00 H new ATOM 0 HG SER A 135 -3.932 14.956 -9.868 1.00 0.00 H new ATOM 2194 N GLY A 136 -7.329 11.613 -9.807 1.00 0.00 N ATOM 2195 CA GLY A 136 -8.069 10.375 -9.624 1.00 0.00 C ATOM 2196 C GLY A 136 -7.378 9.421 -8.665 1.00 0.00 C ATOM 2197 O GLY A 136 -7.875 8.326 -8.404 1.00 0.00 O ATOM 0 H GLY A 136 -7.746 12.432 -9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -9.066 10.604 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -8.197 9.886 -10.590 1.00 0.00 H new ATOM 2201 N THR A 137 -6.226 9.836 -8.143 1.00 0.00 N ATOM 2202 CA THR A 137 -5.461 9.014 -7.213 1.00 0.00 C ATOM 2203 C THR A 137 -6.079 9.041 -5.818 1.00 0.00 C ATOM 2204 O THR A 137 -6.375 10.107 -5.279 1.00 0.00 O ATOM 2205 CB THR A 137 -4.012 9.497 -7.149 1.00 0.00 C ATOM 2206 OG1 THR A 137 -3.432 9.515 -8.441 1.00 0.00 O ATOM 2207 CG2 THR A 137 -3.134 8.638 -6.264 1.00 0.00 C ATOM 0 H THR A 137 -5.802 10.740 -8.350 1.00 0.00 H new ATOM 0 HA THR A 137 -5.482 7.987 -7.577 1.00 0.00 H new ATOM 0 HB THR A 137 -4.060 10.499 -6.724 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.506 9.828 -8.379 1.00 0.00 H new ATOM 0 HG21 THR A 137 -2.119 9.035 -6.263 1.00 0.00 H new ATOM 0 HG22 THR A 137 -3.527 8.643 -5.247 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.123 7.616 -6.644 1.00 0.00 H new ATOM 2215 N TYR A 138 -6.265 7.861 -5.236 1.00 0.00 N ATOM 2216 CA TYR A 138 -6.840 7.748 -3.901 1.00 0.00 C ATOM 2217 C TYR A 138 -5.831 7.125 -2.937 1.00 0.00 C ATOM 2218 O TYR A 138 -5.270 6.063 -3.209 1.00 0.00 O ATOM 2219 CB TYR A 138 -8.131 6.915 -3.951 1.00 0.00 C ATOM 2220 CG TYR A 138 -8.689 6.546 -2.590 1.00 0.00 C ATOM 2221 CD1 TYR A 138 -8.712 7.471 -1.554 1.00 0.00 C ATOM 2222 CD2 TYR A 138 -9.183 5.271 -2.344 1.00 0.00 C ATOM 2223 CE1 TYR A 138 -9.212 7.135 -0.310 1.00 0.00 C ATOM 2224 CE2 TYR A 138 -9.686 4.928 -1.105 1.00 0.00 C ATOM 2225 CZ TYR A 138 -9.698 5.863 -0.090 1.00 0.00 C ATOM 2226 OH TYR A 138 -10.198 5.525 1.146 1.00 0.00 O ATOM 0 H TYR A 138 -6.026 6.969 -5.668 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.086 8.746 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.888 7.473 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.938 6.000 -4.512 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.333 8.468 -1.723 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.173 4.536 -3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.222 7.865 0.486 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -10.068 3.933 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.269 6.329 1.701 1.00 0.00 H new ATOM 2236 N VAL A 139 -5.614 7.792 -1.810 1.00 0.00 N ATOM 2237 CA VAL A 139 -4.679 7.306 -0.805 1.00 0.00 C ATOM 2238 C VAL A 139 -5.309 7.293 0.585 1.00 0.00 C ATOM 2239 O VAL A 139 -5.965 8.253 0.991 1.00 0.00 O ATOM 2240 CB VAL A 139 -3.399 8.163 -0.768 1.00 0.00 C ATOM 2241 CG1 VAL A 139 -2.639 8.042 -2.080 1.00 0.00 C ATOM 2242 CG2 VAL A 139 -3.735 9.617 -0.473 1.00 0.00 C ATOM 0 H VAL A 139 -6.073 8.671 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 139 -4.420 6.286 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 139 -2.760 7.793 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -1.738 8.654 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -2.363 7.001 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -3.271 8.385 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 139 -2.818 10.205 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -4.395 10.003 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -4.233 9.686 0.494 1.00 0.00 H new ATOM 2252 N PHE A 140 -5.091 6.206 1.314 1.00 0.00 N ATOM 2253 CA PHE A 140 -5.619 6.063 2.668 1.00 0.00 C ATOM 2254 C PHE A 140 -4.548 5.490 3.593 1.00 0.00 C ATOM 2255 O PHE A 140 -3.594 4.866 3.137 1.00 0.00 O ATOM 2256 CB PHE A 140 -6.871 5.174 2.693 1.00 0.00 C ATOM 2257 CG PHE A 140 -6.859 4.042 1.700 1.00 0.00 C ATOM 2258 CD1 PHE A 140 -5.690 3.355 1.408 1.00 0.00 C ATOM 2259 CD2 PHE A 140 -8.027 3.667 1.058 1.00 0.00 C ATOM 2260 CE1 PHE A 140 -5.689 2.319 0.495 1.00 0.00 C ATOM 2261 CE2 PHE A 140 -8.033 2.632 0.145 1.00 0.00 C ATOM 2262 CZ PHE A 140 -6.863 1.958 -0.138 1.00 0.00 C ATOM 0 H PHE A 140 -4.549 5.405 0.989 1.00 0.00 H new ATOM 0 HA PHE A 140 -5.906 7.054 3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 140 -6.986 4.759 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 140 -7.746 5.796 2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 140 -4.770 3.634 1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -8.946 4.192 1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 140 -4.772 1.792 0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -8.952 2.350 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 140 -6.865 1.149 -0.854 1.00 0.00 H new ATOM 2272 N ILE A 141 -4.711 5.713 4.896 1.00 0.00 N ATOM 2273 CA ILE A 141 -3.745 5.220 5.864 1.00 0.00 C ATOM 2274 C ILE A 141 -4.409 4.259 6.853 1.00 0.00 C ATOM 2275 O ILE A 141 -5.354 4.626 7.552 1.00 0.00 O ATOM 2276 CB ILE A 141 -3.099 6.394 6.646 1.00 0.00 C ATOM 2277 CG1 ILE A 141 -2.438 7.369 5.673 1.00 0.00 C ATOM 2278 CG2 ILE A 141 -2.071 5.883 7.651 1.00 0.00 C ATOM 2279 CD1 ILE A 141 -1.356 6.740 4.826 1.00 0.00 C ATOM 0 H ILE A 141 -5.495 6.226 5.298 1.00 0.00 H new ATOM 0 HA ILE A 141 -2.969 4.688 5.313 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.886 6.911 7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -3.202 7.789 5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -2.010 8.198 6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -1.634 6.727 8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -2.558 5.216 8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -1.286 5.341 7.124 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -0.932 7.492 4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -0.572 6.344 5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -1.782 5.930 4.234 1.00 0.00 H new ATOM 2291 N VAL A 142 -3.916 3.029 6.892 1.00 0.00 N ATOM 2292 CA VAL A 142 -4.451 2.021 7.798 1.00 0.00 C ATOM 2293 C VAL A 142 -3.527 1.828 8.999 1.00 0.00 C ATOM 2294 O VAL A 142 -2.805 0.835 9.094 1.00 0.00 O ATOM 2295 CB VAL A 142 -4.639 0.669 7.082 1.00 0.00 C ATOM 2296 CG1 VAL A 142 -5.363 -0.321 7.976 1.00 0.00 C ATOM 2297 CG2 VAL A 142 -5.381 0.849 5.767 1.00 0.00 C ATOM 0 H VAL A 142 -3.146 2.705 6.307 1.00 0.00 H new ATOM 0 HA VAL A 142 -5.422 2.377 8.141 1.00 0.00 H new ATOM 0 HB VAL A 142 -3.650 0.267 6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -5.484 -1.267 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -4.782 -0.483 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -6.344 0.076 8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -5.501 -0.119 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -6.362 1.282 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -4.812 1.513 5.116 1.00 0.00 H new ATOM 2307 N ASN A 143 -3.542 2.795 9.909 1.00 0.00 N ATOM 2308 CA ASN A 143 -2.700 2.724 11.099 1.00 0.00 C ATOM 2309 C ASN A 143 -3.407 1.982 12.223 1.00 0.00 C ATOM 2310 O ASN A 143 -4.191 2.567 12.969 1.00 0.00 O ATOM 2311 CB ASN A 143 -2.326 4.136 11.562 1.00 0.00 C ATOM 2312 CG ASN A 143 -1.307 4.116 12.686 1.00 0.00 C ATOM 2313 OD1 ASN A 143 -0.530 3.173 12.818 1.00 0.00 O ATOM 2314 ND2 ASN A 143 -1.310 5.165 13.503 1.00 0.00 N ATOM 0 H ASN A 143 -4.123 3.631 9.848 1.00 0.00 H new ATOM 0 HA ASN A 143 -1.793 2.176 10.842 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -1.925 4.699 10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -3.223 4.657 11.896 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -0.648 5.210 14.278 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -1.974 5.925 13.355 1.00 0.00 H new ATOM 2321 N HIS A 144 -3.118 0.691 12.343 1.00 0.00 N ATOM 2322 CA HIS A 144 -3.725 -0.133 13.386 1.00 0.00 C ATOM 2323 C HIS A 144 -3.189 0.257 14.758 1.00 0.00 C ATOM 2324 O HIS A 144 -3.934 0.305 15.737 1.00 0.00 O ATOM 2325 CB HIS A 144 -3.459 -1.612 13.113 1.00 0.00 C ATOM 2326 CG HIS A 144 -4.218 -2.146 11.933 1.00 0.00 C ATOM 2327 ND1 HIS A 144 -3.883 -2.207 10.622 1.00 0.00 N flip ATOM 2328 CD2 HIS A 144 -5.477 -2.696 12.031 1.00 0.00 C flip ATOM 2329 CE1 HIS A 144 -4.938 -2.786 9.962 1.00 0.00 C flip ATOM 2330 NE2 HIS A 144 -5.886 -3.073 10.834 1.00 0.00 N flip ATOM 0 H HIS A 144 -2.470 0.192 11.734 1.00 0.00 H new ATOM 0 HA HIS A 144 -4.802 0.037 13.377 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -2.392 -1.757 12.945 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -3.724 -2.191 13.998 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -6.042 -2.802 12.945 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -4.985 -2.976 8.900 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -6.782 -3.511 10.620 1.00 0.00 H new