USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 938 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 57 THR OG1 : rot -57:sc= 1.36 USER MOD Set 1.2: A 94 THR OG1 : rot 82:sc= 1.14 USER MOD Set 2.1: A 56 LYS NZ :NH3+ -111:sc= 0.173 (180deg=0) USER MOD Set 2.2: A 91 SER OG : rot 140:sc= -0.275 USER MOD Set 3.1: A 27 ASN : amide:sc= 0.0328 K(o=0.033,f=-4.3!) USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.203 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.403 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= -0.0201 (180deg=-0.0201) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0814 USER MOD Single : A 34 HIS :FLIP no HD1:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 110:sc= -0.261 USER MOD Single : A 46 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.0115 X(o=-0.012,f=-0.15) USER MOD Single : A 50 TYR OH : rot 120:sc= -0.0225 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.308 K(o=-0.31,f=-2.9!) USER MOD Single : A 67 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.24) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 78 SER OG : rot 180:sc= 0.00589 USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= 1.23 (180deg=1.05) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 81 HIS : no HE2:sc= -0.906 K(o=-0.91,f=-5!) USER MOD Single : A 83 MET CE :methyl -131:sc= -3.98! (180deg=-6.7!) USER MOD Single : A 92 HIS :FLIP no HE2:sc= -0.309 F(o=-1.3,f=-0.31) USER MOD Single : A 93 TYR OH : rot 180:sc= 0.219 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.564 F(o=-1.6,f=-0.56) USER MOD Single : A 101 ASN : amide:sc= 3.22 K(o=3.2,f=-10!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -93:sc= 0.472 USER MOD Single : A 115 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 116 THR OG1 : rot -156:sc= 1.73 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.297 -41.289 5.949 1.00 0.00 N ATOM 2 CA GLY A 1 2.864 -42.417 5.189 1.00 0.00 C ATOM 3 C GLY A 1 4.171 -42.841 5.834 1.00 0.00 C ATOM 4 O GLY A 1 4.609 -42.170 6.765 1.00 0.00 O ATOM 0 H1 GLY A 1 1.361 -41.553 6.316 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.926 -41.054 6.743 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.203 -40.462 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.163 -43.252 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.033 -42.125 4.152 1.00 0.00 H new ATOM 8 N SER A 2 4.791 -43.927 5.365 1.00 0.00 N ATOM 9 CA SER A 2 6.192 -44.193 5.667 1.00 0.00 C ATOM 10 C SER A 2 6.972 -43.197 4.805 1.00 0.00 C ATOM 11 O SER A 2 7.113 -43.408 3.598 1.00 0.00 O ATOM 12 CB SER A 2 6.524 -45.662 5.359 1.00 0.00 C ATOM 13 OG SER A 2 7.687 -46.045 6.056 1.00 0.00 O ATOM 0 H SER A 2 4.344 -44.631 4.778 1.00 0.00 H new ATOM 0 HA SER A 2 6.447 -44.060 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.689 -46.301 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.671 -45.794 4.287 1.00 0.00 H new ATOM 0 HG SER A 2 7.893 -46.982 5.858 1.00 0.00 H new ATOM 19 N SER A 3 7.263 -42.011 5.341 1.00 0.00 N ATOM 20 CA SER A 3 7.754 -40.866 4.582 1.00 0.00 C ATOM 21 C SER A 3 8.372 -39.852 5.550 1.00 0.00 C ATOM 22 O SER A 3 8.032 -39.858 6.732 1.00 0.00 O ATOM 23 CB SER A 3 6.585 -40.187 3.834 1.00 0.00 C ATOM 24 OG SER A 3 5.637 -41.108 3.306 1.00 0.00 O ATOM 0 H SER A 3 7.161 -41.818 6.337 1.00 0.00 H new ATOM 0 HA SER A 3 8.498 -41.207 3.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.076 -39.504 4.515 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.987 -39.584 3.019 1.00 0.00 H new ATOM 0 HG SER A 3 4.924 -40.617 2.847 1.00 0.00 H new ATOM 30 N GLY A 4 9.189 -38.929 5.043 1.00 0.00 N ATOM 31 CA GLY A 4 9.623 -37.722 5.734 1.00 0.00 C ATOM 32 C GLY A 4 10.024 -36.697 4.675 1.00 0.00 C ATOM 33 O GLY A 4 10.304 -37.091 3.543 1.00 0.00 O ATOM 0 H GLY A 4 9.580 -39.007 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.821 -37.331 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.464 -37.940 6.392 1.00 0.00 H new ATOM 37 N SER A 5 10.029 -35.406 5.019 1.00 0.00 N ATOM 38 CA SER A 5 10.474 -34.293 4.175 1.00 0.00 C ATOM 39 C SER A 5 10.413 -33.045 5.059 1.00 0.00 C ATOM 40 O SER A 5 11.434 -32.424 5.347 1.00 0.00 O ATOM 41 CB SER A 5 9.594 -34.148 2.912 1.00 0.00 C ATOM 42 OG SER A 5 10.100 -33.185 2.000 1.00 0.00 O ATOM 0 H SER A 5 9.708 -35.094 5.936 1.00 0.00 H new ATOM 0 HA SER A 5 11.485 -34.459 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.522 -35.114 2.412 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.584 -33.866 3.208 1.00 0.00 H new ATOM 0 HG SER A 5 9.510 -33.132 1.219 1.00 0.00 H new ATOM 48 N SER A 6 9.204 -32.702 5.509 1.00 0.00 N ATOM 49 CA SER A 6 8.952 -31.777 6.601 1.00 0.00 C ATOM 50 C SER A 6 9.418 -32.392 7.926 1.00 0.00 C ATOM 51 O SER A 6 9.735 -33.584 7.986 1.00 0.00 O ATOM 52 CB SER A 6 7.444 -31.504 6.644 1.00 0.00 C ATOM 53 OG SER A 6 6.985 -31.124 5.363 1.00 0.00 O ATOM 0 H SER A 6 8.347 -33.078 5.104 1.00 0.00 H new ATOM 0 HA SER A 6 9.500 -30.847 6.449 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.914 -32.395 6.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.229 -30.715 7.365 1.00 0.00 H new ATOM 0 HG SER A 6 6.021 -30.953 5.398 1.00 0.00 H new ATOM 59 N GLY A 7 9.402 -31.596 8.997 1.00 0.00 N ATOM 60 CA GLY A 7 9.694 -32.058 10.347 1.00 0.00 C ATOM 61 C GLY A 7 9.599 -30.906 11.341 1.00 0.00 C ATOM 62 O GLY A 7 9.010 -31.063 12.407 1.00 0.00 O ATOM 0 H GLY A 7 9.183 -30.601 8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.994 -32.846 10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.693 -32.493 10.380 1.00 0.00 H new ATOM 66 N HIS A 8 10.138 -29.734 10.985 1.00 0.00 N ATOM 67 CA HIS A 8 9.825 -28.505 11.705 1.00 0.00 C ATOM 68 C HIS A 8 8.376 -28.100 11.406 1.00 0.00 C ATOM 69 O HIS A 8 7.793 -28.528 10.405 1.00 0.00 O ATOM 70 CB HIS A 8 10.816 -27.390 11.327 1.00 0.00 C ATOM 71 CG HIS A 8 11.518 -26.794 12.521 1.00 0.00 C ATOM 72 ND1 HIS A 8 11.250 -25.573 13.102 1.00 0.00 N ATOM 73 CD2 HIS A 8 12.563 -27.357 13.201 1.00 0.00 C ATOM 74 CE1 HIS A 8 12.112 -25.402 14.116 1.00 0.00 C ATOM 75 NE2 HIS A 8 12.949 -26.451 14.196 1.00 0.00 N ATOM 0 H HIS A 8 10.788 -29.616 10.208 1.00 0.00 H new ATOM 0 HA HIS A 8 9.924 -28.672 12.778 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.560 -27.791 10.638 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.282 -26.602 10.796 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.008 -28.322 13.006 1.00 0.00 H new ATOM 0 HE1 HIS A 8 12.131 -24.545 14.773 1.00 0.00 H new ATOM 0 HE2 HIS A 8 13.718 -26.565 14.856 1.00 0.00 H new ATOM 83 N SER A 9 7.819 -27.230 12.247 1.00 0.00 N ATOM 84 CA SER A 9 6.457 -26.727 12.161 1.00 0.00 C ATOM 85 C SER A 9 6.469 -25.281 12.675 1.00 0.00 C ATOM 86 O SER A 9 7.387 -24.900 13.409 1.00 0.00 O ATOM 87 CB SER A 9 5.568 -27.651 13.010 1.00 0.00 C ATOM 88 OG SER A 9 4.186 -27.412 12.825 1.00 0.00 O ATOM 0 H SER A 9 8.330 -26.842 13.040 1.00 0.00 H new ATOM 0 HA SER A 9 6.064 -26.722 11.144 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.788 -28.689 12.759 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.816 -27.518 14.063 1.00 0.00 H new ATOM 0 HG SER A 9 3.670 -28.027 13.386 1.00 0.00 H new ATOM 94 N GLY A 10 5.485 -24.469 12.299 1.00 0.00 N ATOM 95 CA GLY A 10 5.295 -23.091 12.734 1.00 0.00 C ATOM 96 C GLY A 10 4.967 -22.236 11.521 1.00 0.00 C ATOM 97 O GLY A 10 3.835 -21.784 11.373 1.00 0.00 O ATOM 0 H GLY A 10 4.761 -24.772 11.648 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.489 -23.034 13.465 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.196 -22.722 13.223 1.00 0.00 H new ATOM 101 N GLU A 11 5.962 -22.090 10.640 1.00 0.00 N ATOM 102 CA GLU A 11 5.860 -21.488 9.317 1.00 0.00 C ATOM 103 C GLU A 11 5.172 -20.127 9.337 1.00 0.00 C ATOM 104 O GLU A 11 4.143 -19.893 8.710 1.00 0.00 O ATOM 105 CB GLU A 11 5.162 -22.435 8.365 1.00 0.00 C ATOM 106 CG GLU A 11 5.829 -23.810 8.193 1.00 0.00 C ATOM 107 CD GLU A 11 4.840 -24.924 8.518 1.00 0.00 C ATOM 108 OE1 GLU A 11 4.673 -25.273 9.704 1.00 0.00 O ATOM 109 OE2 GLU A 11 4.210 -25.473 7.576 1.00 0.00 O ATOM 0 H GLU A 11 6.909 -22.407 10.847 1.00 0.00 H new ATOM 0 HA GLU A 11 6.876 -21.311 8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.141 -22.587 8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.097 -21.957 7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.189 -23.921 7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.698 -23.884 8.847 1.00 0.00 H new ATOM 116 N ASP A 12 5.792 -19.212 10.059 1.00 0.00 N ATOM 117 CA ASP A 12 5.176 -17.941 10.423 1.00 0.00 C ATOM 118 C ASP A 12 4.901 -17.061 9.205 1.00 0.00 C ATOM 119 O ASP A 12 4.080 -16.162 9.322 1.00 0.00 O ATOM 120 CB ASP A 12 6.065 -17.118 11.364 1.00 0.00 C ATOM 121 CG ASP A 12 5.980 -17.463 12.843 1.00 0.00 C ATOM 122 OD1 ASP A 12 4.869 -17.563 13.400 1.00 0.00 O ATOM 123 OD2 ASP A 12 7.059 -17.480 13.487 1.00 0.00 O ATOM 0 H ASP A 12 6.742 -19.326 10.413 1.00 0.00 H new ATOM 0 HA ASP A 12 4.243 -18.215 10.915 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.101 -17.233 11.045 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.809 -16.065 11.243 1.00 0.00 H new ATOM 128 N LEU A 13 5.588 -17.218 8.064 1.00 0.00 N ATOM 129 CA LEU A 13 5.393 -16.260 6.970 1.00 0.00 C ATOM 130 C LEU A 13 3.995 -16.422 6.366 1.00 0.00 C ATOM 131 O LEU A 13 3.595 -17.561 6.108 1.00 0.00 O ATOM 132 CB LEU A 13 6.448 -16.355 5.867 1.00 0.00 C ATOM 133 CG LEU A 13 7.835 -15.871 6.314 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.798 -16.125 5.167 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.889 -14.371 6.647 1.00 0.00 C ATOM 0 H LEU A 13 6.256 -17.966 7.879 1.00 0.00 H new ATOM 0 HA LEU A 13 5.501 -15.271 7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.522 -17.390 5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.123 -15.765 5.010 1.00 0.00 H new ATOM 0 HG LEU A 13 8.092 -16.412 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.797 -15.792 5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.821 -17.191 4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.468 -15.574 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.900 -14.103 6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.612 -13.792 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.193 -14.153 7.457 1.00 0.00 H new ATOM 147 N PRO A 14 3.260 -15.319 6.123 1.00 0.00 N ATOM 148 CA PRO A 14 1.863 -15.377 5.718 1.00 0.00 C ATOM 149 C PRO A 14 1.639 -16.103 4.391 1.00 0.00 C ATOM 150 O PRO A 14 2.380 -15.907 3.427 1.00 0.00 O ATOM 151 CB PRO A 14 1.371 -13.930 5.615 1.00 0.00 C ATOM 152 CG PRO A 14 2.469 -13.066 6.233 1.00 0.00 C ATOM 153 CD PRO A 14 3.715 -13.943 6.259 1.00 0.00 C ATOM 0 HA PRO A 14 1.308 -15.952 6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.194 -13.651 4.576 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.428 -13.800 6.145 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.637 -12.164 5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.195 -12.744 7.238 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.392 -13.677 5.447 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.265 -13.807 7.190 1.00 0.00 H new ATOM 161 N MET A 15 0.560 -16.883 4.328 1.00 0.00 N ATOM 162 CA MET A 15 0.165 -17.676 3.171 1.00 0.00 C ATOM 163 C MET A 15 -0.536 -16.846 2.106 1.00 0.00 C ATOM 164 O MET A 15 -0.287 -17.060 0.920 1.00 0.00 O ATOM 165 CB MET A 15 -0.774 -18.820 3.587 1.00 0.00 C ATOM 166 CG MET A 15 -0.084 -19.752 4.582 1.00 0.00 C ATOM 167 SD MET A 15 -0.715 -21.457 4.668 1.00 0.00 S ATOM 168 CE MET A 15 -2.229 -21.214 5.634 1.00 0.00 C ATOM 0 H MET A 15 -0.085 -16.981 5.112 1.00 0.00 H new ATOM 0 HA MET A 15 1.088 -18.075 2.751 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.679 -18.409 4.034 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.081 -19.384 2.706 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.976 -19.793 4.333 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.161 -19.309 5.575 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.730 -22.172 5.772 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.976 -20.793 6.607 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.893 -20.530 5.105 1.00 0.00 H new ATOM 178 N VAL A 16 -1.457 -15.958 2.503 1.00 0.00 N ATOM 179 CA VAL A 16 -2.323 -15.254 1.561 1.00 0.00 C ATOM 180 C VAL A 16 -2.473 -13.780 1.940 1.00 0.00 C ATOM 181 O VAL A 16 -2.136 -13.368 3.054 1.00 0.00 O ATOM 182 CB VAL A 16 -3.678 -15.975 1.354 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.506 -17.457 1.010 1.00 0.00 C ATOM 184 CG2 VAL A 16 -4.709 -15.868 2.483 1.00 0.00 C ATOM 0 H VAL A 16 -1.619 -15.712 3.480 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.835 -15.275 0.586 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.087 -15.413 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.486 -17.915 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.931 -17.552 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.979 -17.960 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.609 -16.417 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.292 -16.290 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.960 -14.820 2.648 1.00 0.00 H new ATOM 194 N ALA A 17 -2.993 -13.000 0.999 1.00 0.00 N ATOM 195 CA ALA A 17 -3.283 -11.582 1.099 1.00 0.00 C ATOM 196 C ALA A 17 -4.762 -11.376 1.492 1.00 0.00 C ATOM 197 O ALA A 17 -5.515 -12.361 1.500 1.00 0.00 O ATOM 198 CB ALA A 17 -2.963 -10.995 -0.276 1.00 0.00 C ATOM 0 H ALA A 17 -3.239 -13.373 0.082 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.691 -11.086 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.161 -9.923 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.913 -11.169 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.587 -11.474 -1.030 1.00 0.00 H new ATOM 204 N PRO A 18 -5.223 -10.148 1.797 1.00 0.00 N ATOM 205 CA PRO A 18 -6.635 -9.883 2.056 1.00 0.00 C ATOM 206 C PRO A 18 -7.528 -10.103 0.826 1.00 0.00 C ATOM 207 O PRO A 18 -7.063 -10.323 -0.307 1.00 0.00 O ATOM 208 CB PRO A 18 -6.711 -8.461 2.611 1.00 0.00 C ATOM 209 CG PRO A 18 -5.425 -7.791 2.171 1.00 0.00 C ATOM 210 CD PRO A 18 -4.441 -8.931 1.955 1.00 0.00 C ATOM 0 HA PRO A 18 -7.030 -10.596 2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.582 -7.933 2.223 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.800 -8.467 3.697 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.572 -7.218 1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.063 -7.095 2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.829 -8.749 1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.760 -9.018 2.802 1.00 0.00 H new ATOM 218 N GLY A 19 -8.835 -10.084 1.082 1.00 0.00 N ATOM 219 CA GLY A 19 -9.873 -10.322 0.087 1.00 0.00 C ATOM 220 C GLY A 19 -10.115 -9.091 -0.793 1.00 0.00 C ATOM 221 O GLY A 19 -9.551 -8.021 -0.550 1.00 0.00 O ATOM 0 H GLY A 19 -9.209 -9.897 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.587 -11.166 -0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.801 -10.597 0.589 1.00 0.00 H new ATOM 225 N ASN A 20 -10.940 -9.275 -1.832 1.00 0.00 N ATOM 226 CA ASN A 20 -10.973 -8.456 -3.046 1.00 0.00 C ATOM 227 C ASN A 20 -11.067 -6.956 -2.767 1.00 0.00 C ATOM 228 O ASN A 20 -12.105 -6.434 -2.337 1.00 0.00 O ATOM 229 CB ASN A 20 -12.058 -8.906 -4.037 1.00 0.00 C ATOM 230 CG ASN A 20 -11.579 -8.633 -5.456 1.00 0.00 C ATOM 231 OD1 ASN A 20 -10.957 -9.495 -6.069 1.00 0.00 O ATOM 232 ND2 ASN A 20 -11.780 -7.442 -5.975 1.00 0.00 N ATOM 0 H ASN A 20 -11.628 -10.028 -1.848 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.007 -8.624 -3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.268 -9.968 -3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.988 -8.372 -3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -11.417 -7.222 -6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.299 -6.738 -5.450 1.00 0.00 H new ATOM 239 N VAL A 21 -9.948 -6.286 -3.012 1.00 0.00 N ATOM 240 CA VAL A 21 -9.684 -4.894 -2.708 1.00 0.00 C ATOM 241 C VAL A 21 -10.613 -4.009 -3.545 1.00 0.00 C ATOM 242 O VAL A 21 -11.026 -4.371 -4.647 1.00 0.00 O ATOM 243 CB VAL A 21 -8.178 -4.651 -2.962 1.00 0.00 C ATOM 244 CG1 VAL A 21 -7.710 -3.219 -2.663 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.327 -5.608 -2.106 1.00 0.00 C ATOM 0 H VAL A 21 -9.149 -6.736 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.893 -4.639 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.042 -4.830 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.643 -3.135 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.257 -2.518 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.898 -2.986 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.270 -5.424 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.540 -5.439 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.568 -6.639 -2.364 1.00 0.00 H new ATOM 255 N ARG A 22 -10.934 -2.822 -3.036 1.00 0.00 N ATOM 256 CA ARG A 22 -11.747 -1.792 -3.690 1.00 0.00 C ATOM 257 C ARG A 22 -11.132 -0.442 -3.337 1.00 0.00 C ATOM 258 O ARG A 22 -10.415 -0.335 -2.348 1.00 0.00 O ATOM 259 CB ARG A 22 -13.208 -1.817 -3.196 1.00 0.00 C ATOM 260 CG ARG A 22 -13.820 -3.196 -2.911 1.00 0.00 C ATOM 261 CD ARG A 22 -14.058 -4.106 -4.119 1.00 0.00 C ATOM 262 NE ARG A 22 -15.460 -4.553 -4.166 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.016 -5.650 -3.633 1.00 0.00 C ATOM 264 NH1 ARG A 22 -15.282 -6.555 -2.982 1.00 0.00 N ATOM 265 NH2 ARG A 22 -17.322 -5.825 -3.803 1.00 0.00 N ATOM 0 H ARG A 22 -10.620 -2.535 -2.109 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.758 -1.971 -4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.268 -1.224 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.827 -1.318 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.167 -3.720 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.773 -3.047 -2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.810 -3.573 -5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.397 -4.971 -4.065 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.098 -3.942 -4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.276 -6.419 -2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.727 -7.382 -2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.865 -5.137 -4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.781 -6.648 -3.412 1.00 0.00 H new ATOM 279 N VAL A 23 -11.352 0.595 -4.134 1.00 0.00 N ATOM 280 CA VAL A 23 -10.975 1.963 -3.804 1.00 0.00 C ATOM 281 C VAL A 23 -11.977 2.950 -4.402 1.00 0.00 C ATOM 282 O VAL A 23 -12.509 2.725 -5.497 1.00 0.00 O ATOM 283 CB VAL A 23 -9.487 2.201 -4.143 1.00 0.00 C ATOM 284 CG1 VAL A 23 -8.926 1.280 -5.220 1.00 0.00 C ATOM 285 CG2 VAL A 23 -9.060 3.659 -4.347 1.00 0.00 C ATOM 0 H VAL A 23 -11.805 0.508 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.038 2.141 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.009 1.910 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.877 1.519 -5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.013 0.244 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.486 1.418 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.996 3.697 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.627 4.092 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.253 4.226 -3.436 1.00 0.00 H new ATOM 295 N ASN A 24 -12.262 4.028 -3.676 1.00 0.00 N ATOM 296 CA ASN A 24 -13.144 5.133 -4.035 1.00 0.00 C ATOM 297 C ASN A 24 -12.357 6.440 -3.950 1.00 0.00 C ATOM 298 O ASN A 24 -11.736 6.706 -2.922 1.00 0.00 O ATOM 299 CB ASN A 24 -14.337 5.188 -3.074 1.00 0.00 C ATOM 300 CG ASN A 24 -15.041 6.532 -3.198 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.602 6.846 -4.242 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.019 7.337 -2.156 1.00 0.00 N ATOM 0 H ASN A 24 -11.851 4.161 -2.752 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.517 4.987 -5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.034 4.381 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -13.997 5.039 -2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.476 8.247 -2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.545 7.050 -1.300 1.00 0.00 H new ATOM 309 N VAL A 25 -12.387 7.256 -5.000 1.00 0.00 N ATOM 310 CA VAL A 25 -11.734 8.562 -4.988 1.00 0.00 C ATOM 311 C VAL A 25 -12.651 9.572 -4.305 1.00 0.00 C ATOM 312 O VAL A 25 -13.792 9.782 -4.731 1.00 0.00 O ATOM 313 CB VAL A 25 -11.309 8.988 -6.402 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.547 10.317 -6.372 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.375 7.917 -6.979 1.00 0.00 C ATOM 0 H VAL A 25 -12.860 7.034 -5.876 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.810 8.508 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.206 9.105 -7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.259 10.594 -7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.186 11.093 -5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.653 10.210 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.065 8.207 -7.983 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.496 7.820 -6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.899 6.962 -7.022 1.00 0.00 H new ATOM 325 N VAL A 26 -12.142 10.197 -3.245 1.00 0.00 N ATOM 326 CA VAL A 26 -12.851 11.218 -2.496 1.00 0.00 C ATOM 327 C VAL A 26 -12.707 12.542 -3.234 1.00 0.00 C ATOM 328 O VAL A 26 -13.691 13.248 -3.456 1.00 0.00 O ATOM 329 CB VAL A 26 -12.314 11.290 -1.050 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.103 12.322 -0.254 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.413 9.915 -0.365 1.00 0.00 C ATOM 0 H VAL A 26 -11.210 10.001 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.911 10.976 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.266 11.586 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.719 12.367 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.001 13.300 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.155 12.038 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.030 9.987 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.455 9.596 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.825 9.187 -0.924 1.00 0.00 H new ATOM 341 N ASN A 27 -11.480 12.915 -3.588 1.00 0.00 N ATOM 342 CA ASN A 27 -11.199 14.162 -4.281 1.00 0.00 C ATOM 343 C ASN A 27 -9.931 14.030 -5.102 1.00 0.00 C ATOM 344 O ASN A 27 -9.386 12.941 -5.264 1.00 0.00 O ATOM 345 CB ASN A 27 -11.156 15.343 -3.292 1.00 0.00 C ATOM 346 CG ASN A 27 -10.012 15.262 -2.292 1.00 0.00 C ATOM 347 OD1 ASN A 27 -8.839 15.421 -2.624 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.345 15.001 -1.041 1.00 0.00 N ATOM 0 H ASN A 27 -10.649 12.354 -3.399 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.009 14.377 -4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -11.070 16.273 -3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -12.100 15.385 -2.748 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.622 14.927 -0.325 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.325 14.873 -0.790 1.00 0.00 H new ATOM 355 N SER A 28 -9.480 15.145 -5.660 1.00 0.00 N ATOM 356 CA SER A 28 -8.386 15.185 -6.618 1.00 0.00 C ATOM 357 C SER A 28 -7.115 14.546 -6.068 1.00 0.00 C ATOM 358 O SER A 28 -6.398 13.873 -6.806 1.00 0.00 O ATOM 359 CB SER A 28 -8.127 16.632 -7.029 1.00 0.00 C ATOM 360 OG SER A 28 -8.433 17.566 -6.009 1.00 0.00 O ATOM 0 H SER A 28 -9.872 16.064 -5.455 1.00 0.00 H new ATOM 0 HA SER A 28 -8.678 14.601 -7.491 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.079 16.741 -7.310 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.720 16.863 -7.914 1.00 0.00 H new ATOM 0 HG SER A 28 -8.246 18.473 -6.329 1.00 0.00 H new ATOM 366 N THR A 29 -6.865 14.707 -4.772 1.00 0.00 N ATOM 367 CA THR A 29 -5.604 14.386 -4.127 1.00 0.00 C ATOM 368 C THR A 29 -5.819 13.476 -2.909 1.00 0.00 C ATOM 369 O THR A 29 -4.954 13.401 -2.032 1.00 0.00 O ATOM 370 CB THR A 29 -4.889 15.714 -3.819 1.00 0.00 C ATOM 371 OG1 THR A 29 -5.705 16.618 -3.095 1.00 0.00 O ATOM 372 CG2 THR A 29 -4.540 16.457 -5.103 1.00 0.00 C ATOM 0 H THR A 29 -7.560 15.077 -4.124 1.00 0.00 H new ATOM 0 HA THR A 29 -4.957 13.801 -4.781 1.00 0.00 H new ATOM 0 HB THR A 29 -4.009 15.429 -3.242 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.206 17.444 -2.923 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.036 17.392 -4.857 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.881 15.839 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.453 16.672 -5.658 1.00 0.00 H new ATOM 380 N LEU A 30 -6.982 12.818 -2.840 1.00 0.00 N ATOM 381 CA LEU A 30 -7.353 11.861 -1.812 1.00 0.00 C ATOM 382 C LEU A 30 -8.230 10.749 -2.391 1.00 0.00 C ATOM 383 O LEU A 30 -9.212 11.028 -3.088 1.00 0.00 O ATOM 384 CB LEU A 30 -8.111 12.603 -0.702 1.00 0.00 C ATOM 385 CG LEU A 30 -8.230 11.891 0.643 1.00 0.00 C ATOM 386 CD1 LEU A 30 -9.358 10.860 0.660 1.00 0.00 C ATOM 387 CD2 LEU A 30 -6.870 11.363 1.126 1.00 0.00 C ATOM 0 H LEU A 30 -7.718 12.950 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.452 11.400 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.619 13.562 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.117 12.819 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.531 12.629 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.400 10.382 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.307 11.356 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.173 10.105 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.994 10.862 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.474 10.656 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.175 12.196 1.238 1.00 0.00 H new ATOM 399 N ALA A 31 -8.003 9.512 -1.951 1.00 0.00 N ATOM 400 CA ALA A 31 -8.866 8.361 -2.207 1.00 0.00 C ATOM 401 C ALA A 31 -8.936 7.521 -0.929 1.00 0.00 C ATOM 402 O ALA A 31 -8.139 7.731 -0.016 1.00 0.00 O ATOM 403 CB ALA A 31 -8.319 7.563 -3.398 1.00 0.00 C ATOM 0 H ALA A 31 -7.186 9.276 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.876 8.676 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.964 6.705 -3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.293 8.200 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.311 7.216 -3.171 1.00 0.00 H new ATOM 409 N GLU A 32 -9.856 6.564 -0.846 1.00 0.00 N ATOM 410 CA GLU A 32 -9.992 5.609 0.227 1.00 0.00 C ATOM 411 C GLU A 32 -10.047 4.205 -0.334 1.00 0.00 C ATOM 412 O GLU A 32 -10.607 3.975 -1.404 1.00 0.00 O ATOM 413 CB GLU A 32 -11.288 5.939 0.955 1.00 0.00 C ATOM 414 CG GLU A 32 -11.074 5.839 2.451 1.00 0.00 C ATOM 415 CD GLU A 32 -11.412 4.531 3.156 1.00 0.00 C ATOM 416 OE1 GLU A 32 -12.593 4.292 3.489 1.00 0.00 O ATOM 417 OE2 GLU A 32 -10.451 3.818 3.523 1.00 0.00 O ATOM 0 H GLU A 32 -10.562 6.435 -1.571 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.143 5.662 0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.618 6.944 0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.076 5.253 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.025 6.059 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.660 6.628 2.922 1.00 0.00 H new ATOM 424 N VAL A 33 -9.490 3.254 0.396 1.00 0.00 N ATOM 425 CA VAL A 33 -9.193 1.924 -0.099 1.00 0.00 C ATOM 426 C VAL A 33 -9.751 0.959 0.909 1.00 0.00 C ATOM 427 O VAL A 33 -9.515 1.132 2.097 1.00 0.00 O ATOM 428 CB VAL A 33 -7.682 1.708 -0.182 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.382 0.374 -0.871 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.956 2.821 -0.929 1.00 0.00 C ATOM 0 H VAL A 33 -9.226 3.390 1.372 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.620 1.785 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.315 1.708 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.303 0.228 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.830 -0.439 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.799 0.383 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.887 2.607 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.336 2.883 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.125 3.770 -0.421 1.00 0.00 H new ATOM 440 N HIS A 34 -10.457 -0.054 0.436 1.00 0.00 N ATOM 441 CA HIS A 34 -11.067 -1.055 1.290 1.00 0.00 C ATOM 442 C HIS A 34 -10.514 -2.410 0.859 1.00 0.00 C ATOM 443 O HIS A 34 -10.207 -2.611 -0.320 1.00 0.00 O ATOM 444 CB HIS A 34 -12.590 -1.018 1.127 1.00 0.00 C ATOM 445 CG HIS A 34 -13.345 0.267 1.428 1.00 0.00 C ATOM 446 ND1 HIS A 34 -12.971 1.580 1.241 1.00 0.00 N flip ATOM 447 CD2 HIS A 34 -14.668 0.281 1.811 1.00 0.00 C flip ATOM 448 CE1 HIS A 34 -14.106 2.373 1.428 1.00 0.00 C flip ATOM 449 NE2 HIS A 34 -15.088 1.552 1.816 1.00 0.00 N flip ATOM 0 H HIS A 34 -10.623 -0.205 -0.559 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.840 -0.868 2.340 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.815 -1.295 0.097 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.006 -1.798 1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.263 -0.584 2.064 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -14.177 3.441 1.287 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -16.027 1.853 2.079 1.00 0.00 H new ATOM 457 N TRP A 35 -10.397 -3.353 1.782 1.00 0.00 N ATOM 458 CA TRP A 35 -10.032 -4.724 1.502 1.00 0.00 C ATOM 459 C TRP A 35 -10.732 -5.614 2.515 1.00 0.00 C ATOM 460 O TRP A 35 -11.070 -5.183 3.618 1.00 0.00 O ATOM 461 CB TRP A 35 -8.509 -4.873 1.542 1.00 0.00 C ATOM 462 CG TRP A 35 -7.841 -4.500 2.831 1.00 0.00 C ATOM 463 CD1 TRP A 35 -7.758 -5.299 3.916 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.260 -3.218 3.232 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.138 -4.623 4.943 1.00 0.00 N ATOM 466 CE2 TRP A 35 -6.792 -3.342 4.573 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.130 -1.947 2.628 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.197 -2.277 5.264 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.559 -0.865 3.323 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.073 -1.031 4.631 1.00 0.00 C ATOM 0 H TRP A 35 -10.559 -3.175 2.773 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.350 -5.023 0.503 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.260 -5.910 1.315 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.084 -4.261 0.746 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.123 -6.314 3.970 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.957 -5.022 5.864 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.475 -1.804 1.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.838 -2.414 6.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.494 0.102 2.847 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.607 -0.204 5.146 1.00 0.00 H new ATOM 481 N ASP A 36 -10.965 -6.869 2.143 1.00 0.00 N ATOM 482 CA ASP A 36 -11.736 -7.764 2.999 1.00 0.00 C ATOM 483 C ASP A 36 -10.793 -8.493 3.955 1.00 0.00 C ATOM 484 O ASP A 36 -9.676 -8.845 3.556 1.00 0.00 O ATOM 485 CB ASP A 36 -12.591 -8.718 2.168 1.00 0.00 C ATOM 486 CG ASP A 36 -13.901 -8.034 1.812 1.00 0.00 C ATOM 487 OD1 ASP A 36 -13.921 -7.254 0.841 1.00 0.00 O ATOM 488 OD2 ASP A 36 -14.899 -8.216 2.554 1.00 0.00 O ATOM 0 H ASP A 36 -10.638 -7.284 1.271 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.434 -7.182 3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.059 -9.006 1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.785 -9.633 2.728 1.00 0.00 H new ATOM 493 N PRO A 37 -11.211 -8.711 5.212 1.00 0.00 N ATOM 494 CA PRO A 37 -10.350 -9.229 6.259 1.00 0.00 C ATOM 495 C PRO A 37 -9.948 -10.669 5.958 1.00 0.00 C ATOM 496 O PRO A 37 -10.794 -11.559 5.819 1.00 0.00 O ATOM 497 CB PRO A 37 -11.147 -9.093 7.563 1.00 0.00 C ATOM 498 CG PRO A 37 -12.603 -9.076 7.099 1.00 0.00 C ATOM 499 CD PRO A 37 -12.522 -8.375 5.749 1.00 0.00 C ATOM 0 HA PRO A 37 -9.412 -8.678 6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.952 -9.925 8.240 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.887 -8.180 8.098 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.010 -10.083 7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.243 -8.536 7.797 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.317 -8.713 5.084 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.636 -7.297 5.860 1.00 0.00 H new ATOM 507 N VAL A 38 -8.637 -10.898 5.912 1.00 0.00 N ATOM 508 CA VAL A 38 -8.028 -12.217 6.039 1.00 0.00 C ATOM 509 C VAL A 38 -8.558 -12.946 7.296 1.00 0.00 C ATOM 510 O VAL A 38 -9.106 -12.314 8.205 1.00 0.00 O ATOM 511 CB VAL A 38 -6.474 -12.097 6.051 1.00 0.00 C ATOM 512 CG1 VAL A 38 -5.802 -12.502 4.735 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.974 -10.696 6.319 1.00 0.00 C ATOM 0 H VAL A 38 -7.954 -10.152 5.782 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.307 -12.819 5.174 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.208 -12.781 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.722 -12.389 4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.040 -13.542 4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.165 -11.864 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.884 -10.691 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.345 -10.023 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.332 -10.362 7.293 1.00 0.00 H new ATOM 523 N PRO A 39 -8.364 -14.272 7.364 1.00 0.00 N ATOM 524 CA PRO A 39 -8.723 -15.149 8.469 1.00 0.00 C ATOM 525 C PRO A 39 -7.667 -14.968 9.568 1.00 0.00 C ATOM 526 O PRO A 39 -7.299 -13.830 9.863 1.00 0.00 O ATOM 527 CB PRO A 39 -8.794 -16.528 7.804 1.00 0.00 C ATOM 528 CG PRO A 39 -7.698 -16.474 6.740 1.00 0.00 C ATOM 529 CD PRO A 39 -7.521 -14.989 6.437 1.00 0.00 C ATOM 0 HA PRO A 39 -9.668 -14.958 8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.616 -17.328 8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.773 -16.709 7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.771 -16.917 7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.986 -17.028 5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.479 -14.692 6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.803 -14.768 5.407 1.00 0.00 H new ATOM 537 N LEU A 40 -7.145 -16.045 10.164 1.00 0.00 N ATOM 538 CA LEU A 40 -5.881 -15.972 10.902 1.00 0.00 C ATOM 539 C LEU A 40 -4.923 -17.084 10.480 1.00 0.00 C ATOM 540 O LEU A 40 -3.730 -16.804 10.400 1.00 0.00 O ATOM 541 CB LEU A 40 -6.087 -15.899 12.422 1.00 0.00 C ATOM 542 CG LEU A 40 -6.040 -14.439 12.927 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.346 -14.109 13.645 1.00 0.00 C ATOM 544 CD2 LEU A 40 -4.841 -14.182 13.843 1.00 0.00 C ATOM 0 H LEU A 40 -7.574 -16.970 10.150 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.405 -15.030 10.631 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.047 -16.345 12.683 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.317 -16.484 12.924 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.920 -13.786 12.062 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.315 -13.080 14.002 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.181 -14.229 12.955 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.476 -14.783 14.492 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.851 -13.143 14.172 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.899 -14.838 14.711 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.918 -14.381 13.299 1.00 0.00 H new ATOM 556 N LYS A 41 -5.404 -18.276 10.082 1.00 0.00 N ATOM 557 CA LYS A 41 -4.519 -19.368 9.639 1.00 0.00 C ATOM 558 C LYS A 41 -3.510 -18.910 8.601 1.00 0.00 C ATOM 559 O LYS A 41 -2.342 -19.273 8.712 1.00 0.00 O ATOM 560 CB LYS A 41 -5.291 -20.577 9.084 1.00 0.00 C ATOM 561 CG LYS A 41 -5.562 -21.690 10.103 1.00 0.00 C ATOM 562 CD LYS A 41 -6.582 -21.268 11.158 1.00 0.00 C ATOM 563 CE LYS A 41 -7.052 -22.481 11.959 1.00 0.00 C ATOM 564 NZ LYS A 41 -8.159 -22.135 12.869 1.00 0.00 N ATOM 0 H LYS A 41 -6.397 -18.507 10.058 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.989 -19.679 10.539 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.244 -20.230 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.730 -20.997 8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.925 -22.576 9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.629 -21.968 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.138 -20.531 11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.435 -20.789 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.374 -23.266 11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.218 -22.882 12.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.452 -22.982 13.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.843 -21.403 13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.963 -21.775 12.316 1.00 0.00 H new ATOM 578 N SER A 42 -3.938 -18.142 7.597 1.00 0.00 N ATOM 579 CA SER A 42 -3.045 -17.653 6.561 1.00 0.00 C ATOM 580 C SER A 42 -2.159 -16.509 7.049 1.00 0.00 C ATOM 581 O SER A 42 -1.081 -16.323 6.495 1.00 0.00 O ATOM 582 CB SER A 42 -3.874 -17.210 5.361 1.00 0.00 C ATOM 583 OG SER A 42 -4.736 -16.163 5.737 1.00 0.00 O ATOM 0 H SER A 42 -4.908 -17.847 7.485 1.00 0.00 H new ATOM 0 HA SER A 42 -2.376 -18.466 6.277 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.217 -16.881 4.555 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.453 -18.050 4.977 1.00 0.00 H new ATOM 0 HG SER A 42 -4.436 -15.327 5.322 1.00 0.00 H new ATOM 589 N ILE A 43 -2.592 -15.720 8.039 1.00 0.00 N ATOM 590 CA ILE A 43 -1.719 -14.752 8.698 1.00 0.00 C ATOM 591 C ILE A 43 -0.595 -15.504 9.421 1.00 0.00 C ATOM 592 O ILE A 43 0.499 -14.960 9.491 1.00 0.00 O ATOM 593 CB ILE A 43 -2.496 -13.779 9.624 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.706 -13.170 8.870 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.557 -12.666 10.139 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.479 -12.099 9.645 1.00 0.00 C ATOM 0 H ILE A 43 -3.546 -15.736 8.400 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.271 -14.107 7.942 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.872 -14.336 10.482 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.351 -12.736 7.935 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.393 -13.974 8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.115 -11.990 10.787 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.737 -13.113 10.701 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.156 -12.108 9.293 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.306 -11.734 9.035 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.870 -12.528 10.567 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.812 -11.271 9.885 1.00 0.00 H new ATOM 608 N ARG A 44 -0.814 -16.746 9.881 1.00 0.00 N ATOM 609 CA ARG A 44 0.163 -17.707 10.428 1.00 0.00 C ATOM 610 C ARG A 44 0.760 -17.299 11.776 1.00 0.00 C ATOM 611 O ARG A 44 1.109 -18.184 12.558 1.00 0.00 O ATOM 612 CB ARG A 44 1.287 -18.026 9.415 1.00 0.00 C ATOM 613 CG ARG A 44 0.847 -18.658 8.082 1.00 0.00 C ATOM 614 CD ARG A 44 0.948 -20.187 8.042 1.00 0.00 C ATOM 615 NE ARG A 44 0.134 -20.841 9.070 1.00 0.00 N ATOM 616 CZ ARG A 44 0.336 -22.085 9.515 1.00 0.00 C ATOM 617 NH1 ARG A 44 1.187 -22.898 8.889 1.00 0.00 N ATOM 618 NH2 ARG A 44 -0.358 -22.515 10.559 1.00 0.00 N ATOM 0 H ARG A 44 -1.756 -17.138 9.881 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.416 -18.612 10.612 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.821 -17.102 9.195 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.998 -18.699 9.894 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.184 -18.369 7.880 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.457 -18.245 7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.636 -20.541 7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.990 -20.480 8.170 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.639 -20.311 9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.690 -22.572 8.064 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.335 -23.846 9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.034 -21.899 11.010 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.216 -23.462 10.911 1.00 0.00 H new ATOM 632 N GLY A 45 0.808 -16.010 12.077 1.00 0.00 N ATOM 633 CA GLY A 45 1.061 -15.392 13.367 1.00 0.00 C ATOM 634 C GLY A 45 -0.064 -14.398 13.640 1.00 0.00 C ATOM 635 O GLY A 45 -1.109 -14.452 12.988 1.00 0.00 O ATOM 0 H GLY A 45 0.656 -15.305 11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.100 -16.148 14.151 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.026 -14.885 13.364 1.00 0.00 H new ATOM 639 N HIS A 46 0.126 -13.503 14.609 1.00 0.00 N ATOM 640 CA HIS A 46 -0.783 -12.377 14.818 1.00 0.00 C ATOM 641 C HIS A 46 -0.507 -11.308 13.754 1.00 0.00 C ATOM 642 O HIS A 46 0.624 -11.168 13.275 1.00 0.00 O ATOM 643 CB HIS A 46 -0.617 -11.820 16.242 1.00 0.00 C ATOM 644 CG HIS A 46 -0.952 -12.789 17.358 1.00 0.00 C ATOM 645 ND1 HIS A 46 -0.677 -12.586 18.693 1.00 0.00 N ATOM 646 CD2 HIS A 46 -1.568 -14.011 17.248 1.00 0.00 C ATOM 647 CE1 HIS A 46 -1.082 -13.676 19.366 1.00 0.00 C ATOM 648 NE2 HIS A 46 -1.634 -14.573 18.529 1.00 0.00 N ATOM 0 H HIS A 46 0.906 -13.537 15.265 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.817 -12.706 14.717 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.414 -11.489 16.367 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.250 -10.938 16.346 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.936 -14.459 16.337 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.979 -13.813 20.432 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.023 -15.482 18.778 1.00 0.00 H new ATOM 656 N LEU A 47 -1.548 -10.563 13.388 1.00 0.00 N ATOM 657 CA LEU A 47 -1.507 -9.491 12.405 1.00 0.00 C ATOM 658 C LEU A 47 -0.808 -8.296 13.044 1.00 0.00 C ATOM 659 O LEU A 47 -1.184 -7.883 14.139 1.00 0.00 O ATOM 660 CB LEU A 47 -2.960 -9.170 11.994 1.00 0.00 C ATOM 661 CG LEU A 47 -3.176 -8.066 10.939 1.00 0.00 C ATOM 662 CD1 LEU A 47 -3.212 -6.661 11.547 1.00 0.00 C ATOM 663 CD2 LEU A 47 -2.239 -8.185 9.737 1.00 0.00 C ATOM 0 H LEU A 47 -2.478 -10.698 13.786 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.953 -9.767 11.508 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.413 -10.087 11.618 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.509 -8.888 12.893 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.174 -8.235 10.536 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.367 -5.926 10.757 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.028 -6.597 12.267 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.267 -6.458 12.051 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.445 -7.378 9.034 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.205 -8.118 10.074 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.399 -9.144 9.245 1.00 0.00 H new ATOM 675 N GLN A 48 0.184 -7.725 12.359 1.00 0.00 N ATOM 676 CA GLN A 48 0.816 -6.478 12.782 1.00 0.00 C ATOM 677 C GLN A 48 0.236 -5.282 12.020 1.00 0.00 C ATOM 678 O GLN A 48 0.183 -4.169 12.554 1.00 0.00 O ATOM 679 CB GLN A 48 2.328 -6.555 12.537 1.00 0.00 C ATOM 680 CG GLN A 48 3.065 -7.624 13.347 1.00 0.00 C ATOM 681 CD GLN A 48 2.971 -7.488 14.863 1.00 0.00 C ATOM 682 OE1 GLN A 48 2.709 -6.437 15.439 1.00 0.00 O ATOM 683 NE2 GLN A 48 3.177 -8.598 15.543 1.00 0.00 N ATOM 0 H GLN A 48 0.570 -8.114 11.498 1.00 0.00 H new ATOM 0 HA GLN A 48 0.620 -6.339 13.845 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.499 -6.743 11.477 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.767 -5.583 12.764 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.675 -8.601 13.064 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.117 -7.607 13.064 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.394 -9.465 15.051 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.119 -8.590 16.561 1.00 0.00 H new ATOM 692 N GLY A 49 -0.234 -5.485 10.788 1.00 0.00 N ATOM 693 CA GLY A 49 -0.695 -4.412 9.932 1.00 0.00 C ATOM 694 C GLY A 49 -0.812 -4.869 8.492 1.00 0.00 C ATOM 695 O GLY A 49 -0.493 -6.011 8.150 1.00 0.00 O ATOM 0 H GLY A 49 -0.302 -6.409 10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.663 -4.055 10.282 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.004 -3.572 9.994 1.00 0.00 H new ATOM 699 N TYR A 50 -1.235 -3.941 7.644 1.00 0.00 N ATOM 700 CA TYR A 50 -1.302 -4.113 6.206 1.00 0.00 C ATOM 701 C TYR A 50 -0.451 -3.014 5.586 1.00 0.00 C ATOM 702 O TYR A 50 -0.305 -1.930 6.160 1.00 0.00 O ATOM 703 CB TYR A 50 -2.761 -4.062 5.735 1.00 0.00 C ATOM 704 CG TYR A 50 -3.647 -5.114 6.378 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.205 -4.878 7.650 1.00 0.00 C ATOM 706 CD2 TYR A 50 -3.879 -6.341 5.725 1.00 0.00 C ATOM 707 CE1 TYR A 50 -4.961 -5.872 8.288 1.00 0.00 C ATOM 708 CE2 TYR A 50 -4.660 -7.335 6.347 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.181 -7.107 7.641 1.00 0.00 C ATOM 710 OH TYR A 50 -5.969 -8.048 8.221 1.00 0.00 O ATOM 0 H TYR A 50 -1.550 -3.021 7.951 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.917 -5.085 5.897 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.169 -3.075 5.951 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.789 -4.188 4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.050 -3.926 8.136 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.458 -6.520 4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.373 -5.693 9.270 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.860 -8.266 5.838 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.727 -8.248 7.633 1.00 0.00 H new ATOM 720 N ARG A 51 0.140 -3.278 4.426 1.00 0.00 N ATOM 721 CA ARG A 51 0.973 -2.321 3.711 1.00 0.00 C ATOM 722 C ARG A 51 0.358 -2.149 2.333 1.00 0.00 C ATOM 723 O ARG A 51 0.102 -3.145 1.654 1.00 0.00 O ATOM 724 CB ARG A 51 2.428 -2.821 3.687 1.00 0.00 C ATOM 725 CG ARG A 51 3.399 -1.703 3.336 1.00 0.00 C ATOM 726 CD ARG A 51 4.862 -2.159 3.421 1.00 0.00 C ATOM 727 NE ARG A 51 5.268 -2.319 4.832 1.00 0.00 N ATOM 728 CZ ARG A 51 6.029 -3.280 5.364 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.488 -4.295 4.636 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.358 -3.214 6.646 1.00 0.00 N ATOM 0 H ARG A 51 0.052 -4.176 3.950 1.00 0.00 H new ATOM 0 HA ARG A 51 1.008 -1.345 4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.687 -3.236 4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.524 -3.628 2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.190 -1.345 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.242 -0.862 4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.987 -3.103 2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.506 -1.429 2.931 1.00 0.00 H new ATOM 0 HE ARG A 51 4.926 -1.609 5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.261 -4.354 3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.067 -5.014 5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.031 -2.435 7.217 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.938 -3.942 7.062 1.00 0.00 H new ATOM 744 N ILE A 52 0.066 -0.911 1.941 1.00 0.00 N ATOM 745 CA ILE A 52 -0.456 -0.612 0.615 1.00 0.00 C ATOM 746 C ILE A 52 0.745 -0.247 -0.250 1.00 0.00 C ATOM 747 O ILE A 52 1.515 0.648 0.102 1.00 0.00 O ATOM 748 CB ILE A 52 -1.570 0.466 0.673 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.850 -0.172 1.277 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.838 1.030 -0.733 1.00 0.00 C ATOM 751 CD1 ILE A 52 -4.159 0.652 1.304 1.00 0.00 C ATOM 0 H ILE A 52 0.185 -0.090 2.534 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.959 -1.469 0.168 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.255 1.297 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.051 -1.091 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.621 -0.460 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.622 1.786 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.926 1.481 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.156 0.224 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.953 0.059 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.006 1.560 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.442 0.919 0.286 1.00 0.00 H new ATOM 763 N TYR A 53 0.941 -0.950 -1.364 1.00 0.00 N ATOM 764 CA TYR A 53 1.838 -0.525 -2.439 1.00 0.00 C ATOM 765 C TYR A 53 1.006 0.261 -3.438 1.00 0.00 C ATOM 766 O TYR A 53 -0.161 -0.076 -3.613 1.00 0.00 O ATOM 767 CB TYR A 53 2.468 -1.752 -3.122 1.00 0.00 C ATOM 768 CG TYR A 53 3.750 -2.226 -2.467 1.00 0.00 C ATOM 769 CD1 TYR A 53 4.970 -1.631 -2.838 1.00 0.00 C ATOM 770 CD2 TYR A 53 3.733 -3.190 -1.437 1.00 0.00 C ATOM 771 CE1 TYR A 53 6.165 -1.997 -2.199 1.00 0.00 C ATOM 772 CE2 TYR A 53 4.925 -3.537 -0.770 1.00 0.00 C ATOM 773 CZ TYR A 53 6.151 -2.947 -1.156 1.00 0.00 C ATOM 774 OH TYR A 53 7.307 -3.315 -0.547 1.00 0.00 O ATOM 0 H TYR A 53 0.477 -1.840 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 53 2.647 0.089 -2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.746 -2.569 -3.119 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.672 -1.511 -4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.987 -0.887 -3.621 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.803 -3.664 -1.159 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.099 -1.550 -2.507 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.902 -4.254 0.037 1.00 0.00 H new ATOM 0 HH TYR A 53 7.114 -3.977 0.149 1.00 0.00 H new ATOM 784 N TYR A 54 1.571 1.282 -4.087 1.00 0.00 N ATOM 785 CA TYR A 54 0.990 1.933 -5.252 1.00 0.00 C ATOM 786 C TYR A 54 2.037 2.642 -6.102 1.00 0.00 C ATOM 787 O TYR A 54 3.185 2.795 -5.683 1.00 0.00 O ATOM 788 CB TYR A 54 -0.099 2.922 -4.821 1.00 0.00 C ATOM 789 CG TYR A 54 0.395 4.162 -4.126 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.665 4.113 -2.753 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.546 5.355 -4.846 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.062 5.282 -2.074 1.00 0.00 C ATOM 793 CE2 TYR A 54 0.958 6.525 -4.187 1.00 0.00 C ATOM 794 CZ TYR A 54 1.197 6.499 -2.793 1.00 0.00 C ATOM 795 OH TYR A 54 1.606 7.639 -2.169 1.00 0.00 O ATOM 0 H TYR A 54 2.465 1.684 -3.807 1.00 0.00 H new ATOM 0 HA TYR A 54 0.547 1.151 -5.869 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.664 3.221 -5.704 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.793 2.406 -4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.569 3.181 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.346 5.375 -5.907 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.262 5.253 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.092 7.441 -4.743 1.00 0.00 H new ATOM 0 HH TYR A 54 1.642 8.372 -2.818 1.00 0.00 H new ATOM 805 N TRP A 55 1.644 3.059 -7.304 1.00 0.00 N ATOM 806 CA TRP A 55 2.395 3.953 -8.165 1.00 0.00 C ATOM 807 C TRP A 55 1.434 4.795 -9.007 1.00 0.00 C ATOM 808 O TRP A 55 0.283 4.411 -9.233 1.00 0.00 O ATOM 809 CB TRP A 55 3.356 3.145 -9.043 1.00 0.00 C ATOM 810 CG TRP A 55 2.774 2.049 -9.884 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.418 2.162 -11.182 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.460 0.674 -9.508 1.00 0.00 C ATOM 813 NE1 TRP A 55 1.940 0.954 -11.643 1.00 0.00 N ATOM 814 CE2 TRP A 55 1.949 -0.002 -10.654 1.00 0.00 C ATOM 815 CE3 TRP A 55 2.559 -0.079 -8.319 1.00 0.00 C ATOM 816 CZ2 TRP A 55 1.556 -1.347 -10.616 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.148 -1.422 -8.265 1.00 0.00 C ATOM 818 CH2 TRP A 55 1.652 -2.062 -9.414 1.00 0.00 C ATOM 0 H TRP A 55 0.757 2.768 -7.716 1.00 0.00 H new ATOM 0 HA TRP A 55 2.990 4.634 -7.557 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.870 3.841 -9.707 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.113 2.705 -8.395 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.496 3.064 -11.771 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.620 0.790 -12.597 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.959 0.387 -7.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.182 -1.829 -11.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 2.214 -1.966 -7.334 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.347 -3.097 -9.371 1.00 0.00 H new ATOM 829 N LYS A 56 1.920 5.948 -9.470 1.00 0.00 N ATOM 830 CA LYS A 56 1.279 6.797 -10.472 1.00 0.00 C ATOM 831 C LYS A 56 1.425 6.128 -11.831 1.00 0.00 C ATOM 832 O LYS A 56 2.525 5.659 -12.154 1.00 0.00 O ATOM 833 CB LYS A 56 1.951 8.182 -10.433 1.00 0.00 C ATOM 834 CG LYS A 56 1.121 9.340 -11.003 1.00 0.00 C ATOM 835 CD LYS A 56 1.108 9.488 -12.528 1.00 0.00 C ATOM 836 CE LYS A 56 0.574 10.890 -12.818 1.00 0.00 C ATOM 837 NZ LYS A 56 0.379 11.150 -14.254 1.00 0.00 N ATOM 0 H LYS A 56 2.807 6.330 -9.143 1.00 0.00 H new ATOM 0 HA LYS A 56 0.216 6.930 -10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.203 8.414 -9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.890 8.126 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.092 9.221 -10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.493 10.270 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.109 9.360 -12.940 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.475 8.728 -12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.375 11.025 -12.299 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.267 11.627 -12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.077 11.850 -14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.502 10.265 -14.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.580 11.519 -14.413 1.00 0.00 H new ATOM 851 N THR A 57 0.364 6.138 -12.635 1.00 0.00 N ATOM 852 CA THR A 57 0.277 5.396 -13.884 1.00 0.00 C ATOM 853 C THR A 57 -0.207 6.336 -15.003 1.00 0.00 C ATOM 854 O THR A 57 -0.957 7.288 -14.755 1.00 0.00 O ATOM 855 CB THR A 57 -0.621 4.164 -13.636 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.179 3.477 -12.478 1.00 0.00 O ATOM 857 CG2 THR A 57 -0.567 3.172 -14.796 1.00 0.00 C ATOM 0 H THR A 57 -0.477 6.676 -12.428 1.00 0.00 H new ATOM 0 HA THR A 57 1.244 5.023 -14.222 1.00 0.00 H new ATOM 0 HB THR A 57 -1.640 4.534 -13.523 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.763 3.228 -12.585 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.213 2.322 -14.578 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.906 3.661 -15.709 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.457 2.824 -14.930 1.00 0.00 H new ATOM 865 N GLN A 58 0.240 6.102 -16.243 1.00 0.00 N ATOM 866 CA GLN A 58 -0.018 7.005 -17.367 1.00 0.00 C ATOM 867 C GLN A 58 -0.182 6.295 -18.710 1.00 0.00 C ATOM 868 O GLN A 58 -0.885 6.814 -19.576 1.00 0.00 O ATOM 869 CB GLN A 58 1.112 8.046 -17.439 1.00 0.00 C ATOM 870 CG GLN A 58 2.502 7.484 -17.796 1.00 0.00 C ATOM 871 CD GLN A 58 3.569 8.550 -17.609 1.00 0.00 C ATOM 872 OE1 GLN A 58 3.566 9.582 -18.268 1.00 0.00 O ATOM 873 NE2 GLN A 58 4.506 8.349 -16.686 1.00 0.00 N ATOM 0 H GLN A 58 0.791 5.281 -16.493 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.977 7.488 -17.178 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.842 8.800 -18.178 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.179 8.553 -16.476 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.725 6.623 -17.167 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.506 7.134 -18.828 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.506 7.488 -16.138 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.224 9.055 -16.526 1.00 0.00 H new ATOM 882 N SER A 59 0.453 5.134 -18.892 1.00 0.00 N ATOM 883 CA SER A 59 0.494 4.317 -20.096 1.00 0.00 C ATOM 884 C SER A 59 0.407 5.123 -21.403 1.00 0.00 C ATOM 885 O SER A 59 -0.573 5.056 -22.148 1.00 0.00 O ATOM 886 CB SER A 59 -0.526 3.174 -19.978 1.00 0.00 C ATOM 887 OG SER A 59 -0.011 1.999 -20.579 1.00 0.00 O ATOM 0 H SER A 59 0.994 4.712 -18.137 1.00 0.00 H new ATOM 0 HA SER A 59 1.484 3.866 -20.168 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.753 2.986 -18.929 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.461 3.459 -20.460 1.00 0.00 H new ATOM 0 HG SER A 59 -0.667 1.275 -20.498 1.00 0.00 H new ATOM 893 N SER A 60 1.467 5.870 -21.702 1.00 0.00 N ATOM 894 CA SER A 60 1.760 6.352 -23.040 1.00 0.00 C ATOM 895 C SER A 60 3.124 5.778 -23.446 1.00 0.00 C ATOM 896 O SER A 60 3.715 4.982 -22.706 1.00 0.00 O ATOM 897 CB SER A 60 1.690 7.884 -23.071 1.00 0.00 C ATOM 898 OG SER A 60 0.422 8.368 -22.650 1.00 0.00 O ATOM 0 H SER A 60 2.155 6.160 -21.007 1.00 0.00 H new ATOM 0 HA SER A 60 1.024 6.016 -23.770 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.467 8.295 -22.427 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.895 8.236 -24.082 1.00 0.00 H new ATOM 0 HG SER A 60 0.419 9.347 -22.682 1.00 0.00 H new ATOM 904 N SER A 61 3.603 6.111 -24.643 1.00 0.00 N ATOM 905 CA SER A 61 4.752 5.456 -25.251 1.00 0.00 C ATOM 906 C SER A 61 5.896 6.450 -25.379 1.00 0.00 C ATOM 907 O SER A 61 6.004 7.149 -26.386 1.00 0.00 O ATOM 908 CB SER A 61 4.331 4.871 -26.597 1.00 0.00 C ATOM 909 OG SER A 61 3.194 4.047 -26.413 1.00 0.00 O ATOM 0 H SER A 61 3.199 6.849 -25.220 1.00 0.00 H new ATOM 0 HA SER A 61 5.108 4.636 -24.627 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.104 5.672 -27.300 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.148 4.292 -27.027 1.00 0.00 H new ATOM 0 HG SER A 61 2.920 3.671 -27.275 1.00 0.00 H new ATOM 915 N LYS A 62 6.754 6.545 -24.360 1.00 0.00 N ATOM 916 CA LYS A 62 7.970 7.349 -24.466 1.00 0.00 C ATOM 917 C LYS A 62 8.884 6.787 -25.550 1.00 0.00 C ATOM 918 O LYS A 62 8.786 5.607 -25.906 1.00 0.00 O ATOM 919 CB LYS A 62 8.671 7.442 -23.096 1.00 0.00 C ATOM 920 CG LYS A 62 8.139 8.668 -22.335 1.00 0.00 C ATOM 921 CD LYS A 62 8.750 9.952 -22.923 1.00 0.00 C ATOM 922 CE LYS A 62 7.747 11.064 -23.227 1.00 0.00 C ATOM 923 NZ LYS A 62 7.218 11.722 -22.020 1.00 0.00 N ATOM 0 H LYS A 62 6.630 6.079 -23.461 1.00 0.00 H new ATOM 0 HA LYS A 62 7.707 8.365 -24.762 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.490 6.535 -22.519 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.750 7.523 -23.231 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.052 8.707 -22.404 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.388 8.587 -21.277 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.494 10.335 -22.225 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.277 9.698 -23.842 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.226 11.812 -23.859 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.917 10.648 -23.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.545 12.465 -22.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.734 11.019 -21.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.002 12.147 -21.485 1.00 0.00 H new ATOM 937 N ARG A 63 9.774 7.636 -26.069 1.00 0.00 N ATOM 938 CA ARG A 63 10.757 7.234 -27.066 1.00 0.00 C ATOM 939 C ARG A 63 11.990 6.683 -26.366 1.00 0.00 C ATOM 940 O ARG A 63 12.563 5.702 -26.835 1.00 0.00 O ATOM 941 CB ARG A 63 11.064 8.417 -28.000 1.00 0.00 C ATOM 942 CG ARG A 63 11.385 7.972 -29.435 1.00 0.00 C ATOM 943 CD ARG A 63 11.144 9.142 -30.398 1.00 0.00 C ATOM 944 NE ARG A 63 11.390 8.798 -31.806 1.00 0.00 N ATOM 945 CZ ARG A 63 12.571 8.723 -32.427 1.00 0.00 C ATOM 946 NH1 ARG A 63 13.699 8.954 -31.764 1.00 0.00 N ATOM 947 NH2 ARG A 63 12.611 8.442 -33.725 1.00 0.00 N ATOM 0 H ARG A 63 9.830 8.620 -25.807 1.00 0.00 H new ATOM 0 HA ARG A 63 10.365 6.435 -27.695 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.209 9.093 -28.016 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.908 8.980 -27.601 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.421 7.640 -29.501 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.760 7.123 -29.713 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.115 9.486 -30.290 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.790 9.974 -30.117 1.00 0.00 H new ATOM 0 HE ARG A 63 10.567 8.594 -32.373 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.668 9.191 -30.772 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.596 8.894 -32.247 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.745 8.285 -34.240 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.508 8.383 -34.207 1.00 0.00 H new ATOM 961 N ASN A 64 12.376 7.281 -25.241 1.00 0.00 N ATOM 962 CA ASN A 64 13.369 6.744 -24.315 1.00 0.00 C ATOM 963 C ASN A 64 12.999 7.187 -22.895 1.00 0.00 C ATOM 964 O ASN A 64 13.359 8.297 -22.497 1.00 0.00 O ATOM 965 CB ASN A 64 14.775 7.216 -24.730 1.00 0.00 C ATOM 966 CG ASN A 64 15.883 6.549 -23.923 1.00 0.00 C ATOM 967 OD1 ASN A 64 15.763 6.298 -22.729 1.00 0.00 O ATOM 968 ND2 ASN A 64 16.999 6.237 -24.553 1.00 0.00 N ATOM 0 H ASN A 64 11.995 8.178 -24.940 1.00 0.00 H new ATOM 0 HA ASN A 64 13.379 5.654 -24.341 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.926 7.006 -25.789 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.842 8.297 -24.606 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.762 5.787 -24.047 1.00 0.00 H new ATOM 0 HD22 ASN A 64 17.099 6.446 -25.546 1.00 0.00 H new ATOM 975 N ARG A 65 12.239 6.384 -22.137 1.00 0.00 N ATOM 976 CA ARG A 65 12.074 6.551 -20.686 1.00 0.00 C ATOM 977 C ARG A 65 11.583 5.242 -20.066 1.00 0.00 C ATOM 978 O ARG A 65 10.670 4.608 -20.601 1.00 0.00 O ATOM 979 CB ARG A 65 11.097 7.702 -20.365 1.00 0.00 C ATOM 980 CG ARG A 65 11.528 8.449 -19.096 1.00 0.00 C ATOM 981 CD ARG A 65 10.707 9.727 -18.853 1.00 0.00 C ATOM 982 NE ARG A 65 9.351 9.478 -18.332 1.00 0.00 N ATOM 983 CZ ARG A 65 9.049 9.169 -17.068 1.00 0.00 C ATOM 984 NH1 ARG A 65 9.994 8.894 -16.182 1.00 0.00 N ATOM 985 NH2 ARG A 65 7.784 9.094 -16.684 1.00 0.00 N ATOM 0 H ARG A 65 11.717 5.594 -22.517 1.00 0.00 H new ATOM 0 HA ARG A 65 13.042 6.808 -20.256 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.058 8.396 -21.205 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.091 7.304 -20.233 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.425 7.787 -18.236 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.584 8.709 -19.173 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.244 10.363 -18.150 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.630 10.280 -19.789 1.00 0.00 H new ATOM 0 HE ARG A 65 8.577 9.548 -18.993 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.975 8.916 -16.460 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.741 8.661 -15.222 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.036 9.272 -17.354 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.557 8.858 -15.718 1.00 0.00 H new ATOM 999 N ARG A 66 12.157 4.845 -18.926 1.00 0.00 N ATOM 1000 CA ARG A 66 11.837 3.599 -18.230 1.00 0.00 C ATOM 1001 C ARG A 66 12.141 3.789 -16.741 1.00 0.00 C ATOM 1002 O ARG A 66 13.242 3.459 -16.298 1.00 0.00 O ATOM 1003 CB ARG A 66 12.614 2.432 -18.878 1.00 0.00 C ATOM 1004 CG ARG A 66 11.665 1.315 -19.327 1.00 0.00 C ATOM 1005 CD ARG A 66 12.405 0.425 -20.313 1.00 0.00 C ATOM 1006 NE ARG A 66 11.705 -0.850 -20.536 1.00 0.00 N ATOM 1007 CZ ARG A 66 11.508 -1.478 -21.703 1.00 0.00 C ATOM 1008 NH1 ARG A 66 11.922 -0.965 -22.855 1.00 0.00 N ATOM 1009 NH2 ARG A 66 10.884 -2.647 -21.734 1.00 0.00 N ATOM 0 H ARG A 66 12.873 5.395 -18.452 1.00 0.00 H new ATOM 0 HA ARG A 66 10.780 3.346 -18.318 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.179 2.799 -19.735 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.337 2.034 -18.166 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.330 0.733 -18.468 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.774 1.738 -19.792 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.516 0.949 -21.262 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.410 0.227 -19.939 1.00 0.00 H new ATOM 0 HE ARG A 66 11.326 -1.308 -19.707 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.406 -0.067 -22.869 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.756 -1.469 -23.726 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.552 -3.071 -20.868 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.736 -3.122 -22.624 1.00 0.00 H new ATOM 1023 N HIS A 67 11.234 4.404 -15.976 1.00 0.00 N ATOM 1024 CA HIS A 67 11.327 4.491 -14.514 1.00 0.00 C ATOM 1025 C HIS A 67 9.937 4.744 -13.933 1.00 0.00 C ATOM 1026 O HIS A 67 9.424 5.863 -14.001 1.00 0.00 O ATOM 1027 CB HIS A 67 12.314 5.583 -14.036 1.00 0.00 C ATOM 1028 CG HIS A 67 13.735 5.106 -13.836 1.00 0.00 C ATOM 1029 ND1 HIS A 67 14.892 5.788 -14.149 1.00 0.00 N ATOM 1030 CD2 HIS A 67 14.107 3.918 -13.264 1.00 0.00 C ATOM 1031 CE1 HIS A 67 15.932 5.001 -13.820 1.00 0.00 C ATOM 1032 NE2 HIS A 67 15.505 3.844 -13.276 1.00 0.00 N ATOM 0 H HIS A 67 10.406 4.861 -16.358 1.00 0.00 H new ATOM 0 HA HIS A 67 11.720 3.540 -14.154 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.317 6.395 -14.763 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.949 5.998 -13.097 1.00 0.00 H new ATOM 0 HD2 HIS A 67 13.437 3.168 -12.871 1.00 0.00 H new ATOM 0 HE1 HIS A 67 16.969 5.261 -13.971 1.00 0.00 H new ATOM 0 HE2 HIS A 67 16.082 3.072 -12.942 1.00 0.00 H new ATOM 1040 N ILE A 68 9.296 3.709 -13.400 1.00 0.00 N ATOM 1041 CA ILE A 68 8.112 3.819 -12.556 1.00 0.00 C ATOM 1042 C ILE A 68 8.635 3.929 -11.124 1.00 0.00 C ATOM 1043 O ILE A 68 9.392 3.072 -10.657 1.00 0.00 O ATOM 1044 CB ILE A 68 7.188 2.593 -12.728 1.00 0.00 C ATOM 1045 CG1 ILE A 68 6.742 2.453 -14.202 1.00 0.00 C ATOM 1046 CG2 ILE A 68 5.966 2.701 -11.793 1.00 0.00 C ATOM 1047 CD1 ILE A 68 5.881 1.217 -14.480 1.00 0.00 C ATOM 0 H ILE A 68 9.594 2.745 -13.547 1.00 0.00 H new ATOM 0 HA ILE A 68 7.508 4.686 -12.824 1.00 0.00 H new ATOM 0 HB ILE A 68 7.747 1.698 -12.455 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.183 3.344 -14.487 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.628 2.416 -14.836 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.326 1.829 -11.928 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.303 2.747 -10.757 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.404 3.604 -12.032 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.610 1.192 -15.536 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.443 0.318 -14.228 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.976 1.260 -13.874 1.00 0.00 H new ATOM 1059 N GLU A 69 8.284 5.001 -10.429 1.00 0.00 N ATOM 1060 CA GLU A 69 8.442 5.117 -8.993 1.00 0.00 C ATOM 1061 C GLU A 69 7.295 4.346 -8.334 1.00 0.00 C ATOM 1062 O GLU A 69 6.170 4.410 -8.827 1.00 0.00 O ATOM 1063 CB GLU A 69 8.390 6.604 -8.651 1.00 0.00 C ATOM 1064 CG GLU A 69 8.580 6.810 -7.153 1.00 0.00 C ATOM 1065 CD GLU A 69 8.967 8.253 -6.884 1.00 0.00 C ATOM 1066 OE1 GLU A 69 8.054 9.112 -6.830 1.00 0.00 O ATOM 1067 OE2 GLU A 69 10.171 8.577 -6.902 1.00 0.00 O ATOM 0 H GLU A 69 7.873 5.830 -10.860 1.00 0.00 H new ATOM 0 HA GLU A 69 9.386 4.704 -8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.166 7.137 -9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.434 7.023 -8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.660 6.564 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.353 6.139 -6.778 1.00 0.00 H new ATOM 1074 N LYS A 70 7.574 3.611 -7.251 1.00 0.00 N ATOM 1075 CA LYS A 70 6.571 2.905 -6.460 1.00 0.00 C ATOM 1076 C LYS A 70 6.644 3.452 -5.048 1.00 0.00 C ATOM 1077 O LYS A 70 7.722 3.458 -4.452 1.00 0.00 O ATOM 1078 CB LYS A 70 6.814 1.391 -6.472 1.00 0.00 C ATOM 1079 CG LYS A 70 6.375 0.734 -7.786 1.00 0.00 C ATOM 1080 CD LYS A 70 6.790 -0.749 -7.830 1.00 0.00 C ATOM 1081 CE LYS A 70 7.800 -1.024 -8.961 1.00 0.00 C ATOM 1082 NZ LYS A 70 9.061 -1.609 -8.457 1.00 0.00 N ATOM 0 H LYS A 70 8.523 3.491 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 70 5.579 3.063 -6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.874 1.196 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.274 0.933 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.293 0.816 -7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.820 1.265 -8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.228 -1.033 -6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.906 -1.370 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.353 -1.702 -9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.018 -0.093 -9.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.709 -1.776 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.503 -0.952 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.859 -2.511 -7.980 1.00 0.00 H new ATOM 1096 N LYS A 71 5.512 3.914 -4.539 1.00 0.00 N ATOM 1097 CA LYS A 71 5.329 4.399 -3.187 1.00 0.00 C ATOM 1098 C LYS A 71 4.736 3.281 -2.343 1.00 0.00 C ATOM 1099 O LYS A 71 4.179 2.299 -2.844 1.00 0.00 O ATOM 1100 CB LYS A 71 4.385 5.613 -3.219 1.00 0.00 C ATOM 1101 CG LYS A 71 5.035 6.956 -2.865 1.00 0.00 C ATOM 1102 CD LYS A 71 5.222 7.129 -1.353 1.00 0.00 C ATOM 1103 CE LYS A 71 5.661 8.567 -1.020 1.00 0.00 C ATOM 1104 NZ LYS A 71 5.179 9.010 0.308 1.00 0.00 N ATOM 0 H LYS A 71 4.655 3.962 -5.089 1.00 0.00 H new ATOM 0 HA LYS A 71 6.281 4.704 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.951 5.689 -4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.563 5.432 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.003 7.031 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.418 7.769 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.289 6.900 -0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.969 6.422 -0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.749 8.628 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.284 9.246 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.500 9.983 0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.140 8.979 0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.559 8.380 1.043 1.00 0.00 H new ATOM 1118 N ILE A 72 4.835 3.476 -1.036 1.00 0.00 N ATOM 1119 CA ILE A 72 4.469 2.535 0.007 1.00 0.00 C ATOM 1120 C ILE A 72 3.723 3.342 1.067 1.00 0.00 C ATOM 1121 O ILE A 72 3.960 4.547 1.210 1.00 0.00 O ATOM 1122 CB ILE A 72 5.769 1.858 0.504 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.316 0.869 -0.549 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.656 1.139 1.853 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.730 1.228 -0.966 1.00 0.00 C ATOM 0 H ILE A 72 5.196 4.350 -0.654 1.00 0.00 H new ATOM 0 HA ILE A 72 3.811 1.729 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 72 6.460 2.687 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.301 -0.142 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.666 0.871 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.619 0.698 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.365 1.854 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.904 0.353 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.084 0.512 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.739 2.230 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.384 1.201 -0.095 1.00 0.00 H new ATOM 1137 N LEU A 73 2.790 2.697 1.765 1.00 0.00 N ATOM 1138 CA LEU A 73 1.837 3.312 2.685 1.00 0.00 C ATOM 1139 C LEU A 73 1.688 2.428 3.921 1.00 0.00 C ATOM 1140 O LEU A 73 1.627 1.200 3.781 1.00 0.00 O ATOM 1141 CB LEU A 73 0.494 3.452 1.966 1.00 0.00 C ATOM 1142 CG LEU A 73 0.105 4.906 1.716 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -1.040 4.872 0.728 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.422 5.634 2.948 1.00 0.00 C ATOM 0 H LEU A 73 2.673 1.686 1.701 1.00 0.00 H new ATOM 0 HA LEU A 73 2.187 4.295 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.541 2.924 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.283 2.970 2.560 1.00 0.00 H new ATOM 0 HG LEU A 73 0.999 5.431 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.363 5.890 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.712 4.390 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.872 4.311 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.675 6.661 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.312 5.125 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.344 5.637 3.724 1.00 0.00 H new ATOM 1156 N THR A 74 1.660 3.025 5.115 1.00 0.00 N ATOM 1157 CA THR A 74 1.564 2.302 6.384 1.00 0.00 C ATOM 1158 C THR A 74 0.113 2.306 6.874 1.00 0.00 C ATOM 1159 O THR A 74 -0.505 3.369 6.938 1.00 0.00 O ATOM 1160 CB THR A 74 2.530 2.919 7.422 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.868 2.621 7.080 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.351 2.349 8.832 1.00 0.00 C ATOM 0 H THR A 74 1.704 4.038 5.228 1.00 0.00 H new ATOM 0 HA THR A 74 1.862 1.264 6.240 1.00 0.00 H new ATOM 0 HB THR A 74 2.307 3.986 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.471 3.018 7.743 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.060 2.825 9.510 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.335 2.541 9.176 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.531 1.274 8.816 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.392 1.135 7.277 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.664 0.920 7.967 1.00 0.00 C ATOM 1172 C PHE A 75 -1.471 -0.213 8.972 1.00 0.00 C ATOM 1173 O PHE A 75 -1.948 -1.339 8.827 1.00 0.00 O ATOM 1174 CB PHE A 75 -2.783 0.608 6.979 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.027 1.729 5.997 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.501 2.971 6.461 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.667 1.569 4.650 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.617 4.054 5.573 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.785 2.649 3.765 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.255 3.886 4.224 1.00 0.00 C ATOM 0 H PHE A 75 0.109 0.260 7.120 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.962 1.828 8.491 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.535 -0.301 6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.702 0.407 7.530 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.775 3.091 7.499 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.300 0.617 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.981 5.008 5.924 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.513 2.527 2.727 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.340 4.716 3.538 1.00 0.00 H new ATOM 1190 N GLN A 76 -0.675 0.094 9.981 1.00 0.00 N ATOM 1191 CA GLN A 76 -0.450 -0.755 11.136 1.00 0.00 C ATOM 1192 C GLN A 76 -1.730 -0.882 11.943 1.00 0.00 C ATOM 1193 O GLN A 76 -2.379 0.126 12.250 1.00 0.00 O ATOM 1194 CB GLN A 76 0.689 -0.184 11.979 1.00 0.00 C ATOM 1195 CG GLN A 76 1.999 -0.576 11.297 1.00 0.00 C ATOM 1196 CD GLN A 76 3.229 0.151 11.837 1.00 0.00 C ATOM 1197 OE1 GLN A 76 3.158 0.953 12.772 1.00 0.00 O ATOM 1198 NE2 GLN A 76 4.384 -0.095 11.244 1.00 0.00 N ATOM 0 H GLN A 76 -0.151 0.968 10.020 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.162 -1.754 10.808 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.605 0.900 12.055 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.651 -0.579 12.994 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.147 -1.650 11.410 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.913 -0.377 10.229 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.429 -0.760 10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.230 0.380 11.558 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.034 -2.117 12.319 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.249 -2.518 13.014 1.00 0.00 C ATOM 1209 C GLY A 77 -4.250 -3.212 12.093 1.00 0.00 C ATOM 1210 O GLY A 77 -4.007 -3.379 10.898 1.00 0.00 O ATOM 0 H GLY A 77 -1.410 -2.904 12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.990 -3.188 13.834 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.717 -1.639 13.457 1.00 0.00 H new ATOM 1214 N SER A 78 -5.356 -3.672 12.679 1.00 0.00 N ATOM 1215 CA SER A 78 -6.318 -4.584 12.068 1.00 0.00 C ATOM 1216 C SER A 78 -7.236 -3.957 11.017 1.00 0.00 C ATOM 1217 O SER A 78 -8.089 -4.677 10.497 1.00 0.00 O ATOM 1218 CB SER A 78 -7.153 -5.232 13.179 1.00 0.00 C ATOM 1219 OG SER A 78 -7.770 -4.250 13.991 1.00 0.00 O ATOM 0 H SER A 78 -5.614 -3.408 13.630 1.00 0.00 H new ATOM 0 HA SER A 78 -5.733 -5.321 11.518 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.915 -5.875 12.738 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.516 -5.868 13.793 1.00 0.00 H new ATOM 0 HG SER A 78 -8.298 -4.689 14.691 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.116 -2.659 10.711 1.00 0.00 N ATOM 1226 CA LYS A 79 -7.997 -1.967 9.766 1.00 0.00 C ATOM 1227 C LYS A 79 -8.210 -2.768 8.486 1.00 0.00 C ATOM 1228 O LYS A 79 -7.314 -3.456 7.992 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.427 -0.574 9.434 1.00 0.00 C ATOM 1230 CG LYS A 79 -7.981 0.516 10.364 1.00 0.00 C ATOM 1231 CD LYS A 79 -9.234 1.229 9.827 1.00 0.00 C ATOM 1232 CE LYS A 79 -9.030 2.723 9.528 1.00 0.00 C ATOM 1233 NZ LYS A 79 -7.917 2.983 8.594 1.00 0.00 N ATOM 0 H LYS A 79 -6.399 -2.057 11.116 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.970 -1.857 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.340 -0.599 9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.665 -0.323 8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.218 0.068 11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.202 1.258 10.539 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.560 0.729 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.039 1.122 10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.950 3.132 9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.842 3.252 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.093 3.872 8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.027 3.060 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.845 2.200 7.913 1.00 0.00 H new ATOM 1247 N THR A 80 -9.405 -2.625 7.940 1.00 0.00 N ATOM 1248 CA THR A 80 -9.836 -3.152 6.654 1.00 0.00 C ATOM 1249 C THR A 80 -9.786 -2.074 5.572 1.00 0.00 C ATOM 1250 O THR A 80 -10.105 -2.353 4.417 1.00 0.00 O ATOM 1251 CB THR A 80 -11.267 -3.675 6.822 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.018 -2.732 7.575 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.256 -5.004 7.579 1.00 0.00 C ATOM 0 H THR A 80 -10.147 -2.106 8.410 1.00 0.00 H new ATOM 0 HA THR A 80 -9.168 -3.954 6.339 1.00 0.00 H new ATOM 0 HB THR A 80 -11.711 -3.821 5.837 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.936 -3.058 7.686 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.278 -5.366 7.693 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.671 -5.736 7.021 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.811 -4.858 8.563 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.434 -0.831 5.925 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.465 0.263 4.968 1.00 0.00 C ATOM 1263 C HIS A 81 -8.397 1.315 5.304 1.00 0.00 C ATOM 1264 O HIS A 81 -7.838 1.288 6.409 1.00 0.00 O ATOM 1265 CB HIS A 81 -10.900 0.819 4.919 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.257 1.693 6.087 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -11.123 3.057 6.098 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.827 1.311 7.268 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -11.599 3.510 7.268 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -12.025 2.476 8.024 1.00 0.00 N ATOM 0 H HIS A 81 -9.128 -0.567 6.861 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.210 -0.085 3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.026 1.390 3.999 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.600 -0.015 4.875 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -10.731 3.627 5.349 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -12.078 0.303 7.564 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.636 4.549 7.562 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.105 2.245 4.393 1.00 0.00 N ATOM 1279 CA GLY A 82 -7.090 3.279 4.565 1.00 0.00 C ATOM 1280 C GLY A 82 -7.033 4.238 3.374 1.00 0.00 C ATOM 1281 O GLY A 82 -7.466 3.912 2.270 1.00 0.00 O ATOM 0 H GLY A 82 -8.582 2.299 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.299 3.843 5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.115 2.810 4.698 1.00 0.00 H new ATOM 1285 N MET A 83 -6.485 5.434 3.595 1.00 0.00 N ATOM 1286 CA MET A 83 -6.532 6.540 2.643 1.00 0.00 C ATOM 1287 C MET A 83 -5.362 6.504 1.657 1.00 0.00 C ATOM 1288 O MET A 83 -4.294 5.984 1.965 1.00 0.00 O ATOM 1289 CB MET A 83 -6.483 7.866 3.414 1.00 0.00 C ATOM 1290 CG MET A 83 -7.552 7.974 4.508 1.00 0.00 C ATOM 1291 SD MET A 83 -7.676 9.637 5.211 1.00 0.00 S ATOM 1292 CE MET A 83 -8.752 10.343 3.945 1.00 0.00 C ATOM 0 H MET A 83 -5.988 5.663 4.456 1.00 0.00 H new ATOM 0 HA MET A 83 -7.457 6.447 2.074 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.498 7.978 3.867 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.607 8.691 2.712 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.519 7.687 4.094 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.323 7.265 5.304 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.341 11.294 3.607 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.819 9.657 3.101 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.746 10.505 4.361 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.492 7.186 0.522 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.418 7.501 -0.404 1.00 0.00 C ATOM 1304 C LEU A 84 -4.287 9.025 -0.457 1.00 0.00 C ATOM 1305 O LEU A 84 -4.986 9.639 -1.256 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.701 6.874 -1.793 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.755 5.736 -2.203 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.273 6.097 -2.233 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.912 4.536 -1.291 1.00 0.00 C ATOM 0 H LEU A 84 -6.393 7.549 0.212 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.470 7.077 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.723 6.496 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.646 7.660 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.058 5.512 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.692 5.225 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.110 6.906 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.957 6.419 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.229 3.747 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.682 4.826 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.938 4.171 -1.344 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.472 9.653 0.408 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.080 11.056 0.292 1.00 0.00 C ATOM 1323 C PRO A 85 -1.752 11.208 -0.477 1.00 0.00 C ATOM 1324 O PRO A 85 -0.927 10.287 -0.502 1.00 0.00 O ATOM 1325 CB PRO A 85 -2.929 11.500 1.744 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.335 10.260 2.413 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.001 9.103 1.671 1.00 0.00 C ATOM 0 HA PRO A 85 -3.803 11.652 -0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.272 12.365 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.886 11.779 2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.250 10.230 2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.557 10.234 3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.295 8.290 1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.828 8.693 2.250 1.00 0.00 H new ATOM 1335 N GLY A 86 -1.512 12.384 -1.071 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.294 12.683 -1.829 1.00 0.00 C ATOM 1337 C GLY A 86 -0.438 12.296 -3.303 1.00 0.00 C ATOM 1338 O GLY A 86 0.537 11.904 -3.958 1.00 0.00 O ATOM 0 H GLY A 86 -2.168 13.164 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.069 13.747 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.548 12.146 -1.392 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.673 12.346 -3.805 1.00 0.00 N ATOM 1343 CA LEU A 87 -2.076 11.956 -5.152 1.00 0.00 C ATOM 1344 C LEU A 87 -2.238 13.225 -5.979 1.00 0.00 C ATOM 1345 O LEU A 87 -2.129 14.331 -5.446 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.396 11.157 -5.109 1.00 0.00 C ATOM 1347 CG LEU A 87 -3.296 9.710 -4.596 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -2.574 8.770 -5.549 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -2.594 9.615 -3.247 1.00 0.00 C ATOM 0 H LEU A 87 -2.461 12.679 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.320 11.313 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.103 11.696 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.817 11.136 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.337 9.399 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.543 7.769 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.104 8.740 -6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.557 9.127 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.551 8.572 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.582 10.010 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.147 10.195 -2.508 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.521 13.076 -7.267 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.750 14.168 -8.199 1.00 0.00 C ATOM 1363 C GLU A 88 -3.998 13.896 -9.032 1.00 0.00 C ATOM 1364 O GLU A 88 -4.319 12.736 -9.308 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.538 14.333 -9.123 1.00 0.00 C ATOM 1366 CG GLU A 88 -0.374 15.000 -8.398 1.00 0.00 C ATOM 1367 CD GLU A 88 -0.502 16.520 -8.368 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -1.399 17.062 -7.689 1.00 0.00 O ATOM 1369 OE2 GLU A 88 0.331 17.202 -9.003 1.00 0.00 O ATOM 0 H GLU A 88 -2.600 12.158 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.895 15.087 -7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.226 13.357 -9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.818 14.930 -9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.321 14.622 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.560 14.726 -8.888 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.689 14.961 -9.461 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.870 14.851 -10.292 1.00 0.00 C ATOM 1378 C PRO A 89 -5.536 14.404 -11.721 1.00 0.00 C ATOM 1379 O PRO A 89 -4.394 14.495 -12.178 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.527 16.226 -10.240 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.480 17.202 -9.702 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.359 16.343 -9.154 1.00 0.00 C ATOM 0 HA PRO A 89 -6.548 14.079 -9.928 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.864 16.530 -11.231 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.406 16.209 -9.595 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.118 17.861 -10.491 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.902 17.838 -8.924 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.406 16.620 -9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.256 16.484 -8.078 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.573 14.007 -12.460 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.566 13.610 -13.865 1.00 0.00 C ATOM 1392 C PHE A 90 -5.507 12.542 -14.195 1.00 0.00 C ATOM 1393 O PHE A 90 -4.942 12.545 -15.290 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.457 14.877 -14.736 1.00 0.00 C ATOM 1395 CG PHE A 90 -6.905 14.714 -16.178 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -8.236 14.358 -16.476 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -5.997 14.940 -17.232 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -8.653 14.239 -17.812 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -6.416 14.811 -18.568 1.00 0.00 C ATOM 1400 CZ PHE A 90 -7.746 14.464 -18.860 1.00 0.00 C ATOM 0 H PHE A 90 -7.509 13.951 -12.060 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.507 13.110 -14.093 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.051 15.667 -14.275 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.420 15.213 -14.731 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.937 14.176 -15.675 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.975 15.213 -17.013 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.676 13.973 -18.034 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.714 14.979 -19.371 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.069 14.371 -19.886 1.00 0.00 H new ATOM 1410 N SER A 91 -5.220 11.621 -13.271 1.00 0.00 N ATOM 1411 CA SER A 91 -4.217 10.571 -13.433 1.00 0.00 C ATOM 1412 C SER A 91 -4.785 9.218 -13.016 1.00 0.00 C ATOM 1413 O SER A 91 -5.615 9.158 -12.111 1.00 0.00 O ATOM 1414 CB SER A 91 -2.996 10.926 -12.584 1.00 0.00 C ATOM 1415 OG SER A 91 -2.301 12.006 -13.177 1.00 0.00 O ATOM 0 H SER A 91 -5.692 11.586 -12.367 1.00 0.00 H new ATOM 0 HA SER A 91 -3.927 10.500 -14.481 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.308 11.192 -11.574 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.338 10.061 -12.497 1.00 0.00 H new ATOM 0 HG SER A 91 -1.995 12.621 -12.478 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.331 8.130 -13.649 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.617 6.768 -13.213 1.00 0.00 C ATOM 1423 C HIS A 92 -3.573 6.391 -12.160 1.00 0.00 C ATOM 1424 O HIS A 92 -2.434 6.860 -12.208 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.586 5.801 -14.424 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.669 4.736 -14.474 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -6.476 4.311 -13.455 1.00 0.00 N flip ATOM 1428 CD2 HIS A 92 -6.049 4.029 -15.592 1.00 0.00 C flip ATOM 1429 CE1 HIS A 92 -7.409 3.404 -13.967 1.00 0.00 C flip ATOM 1430 NE2 HIS A 92 -7.068 3.221 -15.255 1.00 0.00 N flip ATOM 0 H HIS A 92 -3.750 8.176 -14.486 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.614 6.697 -12.778 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.650 6.395 -15.336 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.617 5.302 -14.436 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -6.408 4.607 -12.481 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.604 4.110 -16.573 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.232 2.946 -13.438 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.947 5.498 -11.252 1.00 0.00 N ATOM 1439 CA TYR A 93 -3.088 4.941 -10.229 1.00 0.00 C ATOM 1440 C TYR A 93 -3.358 3.452 -10.140 1.00 0.00 C ATOM 1441 O TYR A 93 -4.484 2.984 -10.354 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.368 5.615 -8.883 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.796 7.011 -8.791 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -3.549 8.127 -9.206 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -1.486 7.181 -8.310 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -2.992 9.416 -9.133 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -0.917 8.462 -8.243 1.00 0.00 C ATOM 1448 CZ TYR A 93 -1.674 9.584 -8.649 1.00 0.00 C ATOM 1449 OH TYR A 93 -1.143 10.826 -8.539 1.00 0.00 O ATOM 0 H TYR A 93 -4.898 5.131 -11.212 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.042 5.113 -10.482 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.445 5.658 -8.722 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.950 5.004 -8.083 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.553 7.993 -9.580 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.915 6.322 -7.991 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.568 10.274 -9.445 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.093 8.590 -7.883 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.230 10.762 -8.189 1.00 0.00 H new ATOM 1459 N THR A 94 -2.312 2.723 -9.778 1.00 0.00 N ATOM 1460 CA THR A 94 -2.334 1.294 -9.557 1.00 0.00 C ATOM 1461 C THR A 94 -1.770 1.072 -8.157 1.00 0.00 C ATOM 1462 O THR A 94 -0.793 1.716 -7.781 1.00 0.00 O ATOM 1463 CB THR A 94 -1.487 0.605 -10.635 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.653 1.188 -11.923 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.814 -0.886 -10.687 1.00 0.00 C ATOM 0 H THR A 94 -1.390 3.133 -9.626 1.00 0.00 H new ATOM 0 HA THR A 94 -3.337 0.873 -9.624 1.00 0.00 H new ATOM 0 HB THR A 94 -0.443 0.744 -10.355 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.086 1.984 -11.997 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.207 -1.365 -11.455 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.599 -1.340 -9.720 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.870 -1.019 -10.923 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.411 0.227 -7.359 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.152 -0.005 -5.946 1.00 0.00 C ATOM 1475 C LEU A 95 -2.484 -1.464 -5.625 1.00 0.00 C ATOM 1476 O LEU A 95 -3.189 -2.117 -6.394 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.926 0.998 -5.073 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.466 1.102 -5.151 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.036 1.283 -6.564 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -5.109 -0.170 -4.598 1.00 0.00 C ATOM 0 H LEU A 95 -3.176 -0.352 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.099 0.162 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.673 0.779 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.528 1.988 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.699 1.994 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.123 1.345 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.640 2.200 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.750 0.433 -7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.194 -0.085 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.779 -1.028 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.813 -0.305 -3.558 1.00 0.00 H new ATOM 1492 N ASN A 96 -2.012 -1.989 -4.494 1.00 0.00 N ATOM 1493 CA ASN A 96 -2.343 -3.329 -3.981 1.00 0.00 C ATOM 1494 C ASN A 96 -2.276 -3.301 -2.444 1.00 0.00 C ATOM 1495 O ASN A 96 -1.796 -2.318 -1.874 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.431 -4.451 -4.547 1.00 0.00 C ATOM 1497 CG ASN A 96 -0.555 -4.099 -5.746 1.00 0.00 C ATOM 1498 OD1 ASN A 96 -0.918 -4.535 -6.940 1.00 0.00 O flip ATOM 1499 ND2 ASN A 96 0.494 -3.469 -5.615 1.00 0.00 N flip ATOM 0 H ASN A 96 -1.368 -1.482 -3.887 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.351 -3.571 -4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.781 -4.795 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.065 -5.292 -4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.775 -3.132 -4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.082 -3.284 -6.427 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.739 -4.346 -1.746 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.610 -4.505 -0.283 1.00 0.00 C ATOM 1508 C VAL A 97 -1.766 -5.750 -0.013 1.00 0.00 C ATOM 1509 O VAL A 97 -1.840 -6.709 -0.774 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.989 -4.647 0.415 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -3.872 -4.598 1.948 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.967 -3.534 0.035 1.00 0.00 C ATOM 0 H VAL A 97 -3.226 -5.125 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.136 -3.612 0.124 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.359 -5.615 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.862 -4.701 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.234 -5.413 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.437 -3.645 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.913 -3.688 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.549 -2.569 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.137 -3.551 -1.041 1.00 0.00 H new ATOM 1522 N ARG A 98 -1.012 -5.782 1.086 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.211 -6.921 1.533 1.00 0.00 C ATOM 1524 C ARG A 98 -0.339 -7.021 3.049 1.00 0.00 C ATOM 1525 O ARG A 98 -0.483 -5.979 3.692 1.00 0.00 O ATOM 1526 CB ARG A 98 1.229 -6.635 1.095 1.00 0.00 C ATOM 1527 CG ARG A 98 2.161 -7.851 1.074 1.00 0.00 C ATOM 1528 CD ARG A 98 3.555 -7.337 0.710 1.00 0.00 C ATOM 1529 NE ARG A 98 4.413 -8.365 0.107 1.00 0.00 N ATOM 1530 CZ ARG A 98 5.548 -8.090 -0.544 1.00 0.00 C ATOM 1531 NH1 ARG A 98 6.139 -6.912 -0.376 1.00 0.00 N ATOM 1532 NH2 ARG A 98 6.070 -8.987 -1.371 1.00 0.00 N ATOM 0 H ARG A 98 -0.940 -4.982 1.715 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.536 -7.871 1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.208 -6.197 0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.652 -5.885 1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.173 -8.345 2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.819 -8.587 0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.457 -6.502 0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.038 -6.951 1.607 1.00 0.00 H new ATOM 0 HE ARG A 98 4.128 -9.341 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.727 -6.219 0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.005 -6.701 -0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.605 -9.884 -1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.936 -8.779 -1.869 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.301 -8.225 3.626 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.309 -8.400 5.082 1.00 0.00 C ATOM 1548 C VAL A 99 1.127 -8.355 5.606 1.00 0.00 C ATOM 1549 O VAL A 99 2.070 -8.711 4.892 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.045 -9.696 5.507 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.399 -9.898 4.810 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.225 -10.967 5.266 1.00 0.00 C ATOM 0 H VAL A 99 -0.264 -9.100 3.103 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.869 -7.580 5.531 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.201 -9.545 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.853 -10.825 5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.057 -9.061 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.249 -9.951 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.799 -11.837 5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.006 -11.055 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.702 -10.915 5.836 1.00 0.00 H new ATOM 1562 N VAL A 100 1.274 -7.967 6.870 1.00 0.00 N ATOM 1563 CA VAL A 100 2.519 -7.965 7.624 1.00 0.00 C ATOM 1564 C VAL A 100 2.230 -8.623 8.972 1.00 0.00 C ATOM 1565 O VAL A 100 1.181 -8.378 9.577 1.00 0.00 O ATOM 1566 CB VAL A 100 3.002 -6.511 7.796 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.265 -6.454 8.680 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.291 -5.861 6.432 1.00 0.00 C ATOM 0 H VAL A 100 0.486 -7.629 7.422 1.00 0.00 H new ATOM 0 HA VAL A 100 3.307 -8.516 7.111 1.00 0.00 H new ATOM 0 HB VAL A 100 2.203 -5.954 8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.588 -5.418 8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.040 -6.868 9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.061 -7.036 8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.630 -4.836 6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.066 -6.428 5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.382 -5.858 5.830 1.00 0.00 H new ATOM 1578 N ASN A 101 3.149 -9.458 9.455 1.00 0.00 N ATOM 1579 CA ASN A 101 3.004 -10.153 10.728 1.00 0.00 C ATOM 1580 C ASN A 101 4.324 -10.165 11.504 1.00 0.00 C ATOM 1581 O ASN A 101 5.273 -9.470 11.136 1.00 0.00 O ATOM 1582 CB ASN A 101 2.433 -11.558 10.485 1.00 0.00 C ATOM 1583 CG ASN A 101 3.425 -12.574 9.937 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.618 -12.339 9.775 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.932 -13.756 9.680 1.00 0.00 N ATOM 0 H ASN A 101 4.020 -9.671 8.969 1.00 0.00 H new ATOM 0 HA ASN A 101 2.295 -9.617 11.359 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.031 -11.937 11.425 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.597 -11.478 9.790 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.541 -14.500 9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.938 -13.935 9.820 1.00 0.00 H new ATOM 1592 N GLY A 102 4.390 -10.926 12.603 1.00 0.00 N ATOM 1593 CA GLY A 102 5.556 -11.014 13.482 1.00 0.00 C ATOM 1594 C GLY A 102 6.834 -11.565 12.830 1.00 0.00 C ATOM 1595 O GLY A 102 7.907 -11.501 13.444 1.00 0.00 O ATOM 0 H GLY A 102 3.613 -11.511 12.911 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.769 -10.020 13.875 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.301 -11.646 14.333 1.00 0.00 H new ATOM 1599 N LYS A 103 6.768 -12.073 11.598 1.00 0.00 N ATOM 1600 CA LYS A 103 7.900 -12.621 10.867 1.00 0.00 C ATOM 1601 C LYS A 103 8.208 -11.730 9.668 1.00 0.00 C ATOM 1602 O LYS A 103 9.325 -11.211 9.591 1.00 0.00 O ATOM 1603 CB LYS A 103 7.594 -14.080 10.505 1.00 0.00 C ATOM 1604 CG LYS A 103 8.821 -14.859 10.025 1.00 0.00 C ATOM 1605 CD LYS A 103 9.666 -15.379 11.198 1.00 0.00 C ATOM 1606 CE LYS A 103 10.786 -16.229 10.604 1.00 0.00 C ATOM 1607 NZ LYS A 103 11.344 -17.217 11.547 1.00 0.00 N ATOM 0 H LYS A 103 5.896 -12.113 11.070 1.00 0.00 H new ATOM 0 HA LYS A 103 8.806 -12.632 11.474 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.173 -14.582 11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.832 -14.101 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.499 -15.699 9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.434 -14.217 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.076 -14.550 11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.055 -15.970 11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.407 -16.752 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.587 -15.573 10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.098 -17.758 11.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.735 -16.724 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.592 -17.867 11.854 1.00 0.00 H new ATOM 1621 N GLY A 104 7.256 -11.500 8.765 1.00 0.00 N ATOM 1622 CA GLY A 104 7.526 -10.793 7.524 1.00 0.00 C ATOM 1623 C GLY A 104 6.247 -10.473 6.763 1.00 0.00 C ATOM 1624 O GLY A 104 5.148 -10.477 7.323 1.00 0.00 O ATOM 0 H GLY A 104 6.286 -11.797 8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.060 -9.868 7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.180 -11.398 6.896 1.00 0.00 H new ATOM 1628 N GLU A 105 6.411 -10.142 5.484 1.00 0.00 N ATOM 1629 CA GLU A 105 5.310 -10.011 4.543 1.00 0.00 C ATOM 1630 C GLU A 105 5.023 -11.386 3.929 1.00 0.00 C ATOM 1631 O GLU A 105 5.890 -12.267 3.911 1.00 0.00 O ATOM 1632 CB GLU A 105 5.666 -9.020 3.421 1.00 0.00 C ATOM 1633 CG GLU A 105 6.137 -7.639 3.892 1.00 0.00 C ATOM 1634 CD GLU A 105 6.629 -6.781 2.729 1.00 0.00 C ATOM 1635 OE1 GLU A 105 7.736 -7.060 2.217 1.00 0.00 O ATOM 1636 OE2 GLU A 105 5.951 -5.794 2.363 1.00 0.00 O ATOM 0 H GLU A 105 7.325 -9.956 5.071 1.00 0.00 H new ATOM 0 HA GLU A 105 4.433 -9.636 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.448 -9.461 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.792 -8.890 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.318 -7.129 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.939 -7.757 4.621 1.00 0.00 H new ATOM 1643 N GLY A 106 3.827 -11.542 3.367 1.00 0.00 N ATOM 1644 CA GLY A 106 3.451 -12.636 2.479 1.00 0.00 C ATOM 1645 C GLY A 106 3.020 -12.045 1.137 1.00 0.00 C ATOM 1646 O GLY A 106 3.423 -10.920 0.822 1.00 0.00 O ATOM 0 H GLY A 106 3.064 -10.883 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 106 4.291 -13.317 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.638 -13.216 2.916 1.00 0.00 H new ATOM 1650 N PRO A 107 2.216 -12.754 0.327 1.00 0.00 N ATOM 1651 CA PRO A 107 1.732 -12.196 -0.925 1.00 0.00 C ATOM 1652 C PRO A 107 0.867 -10.968 -0.686 1.00 0.00 C ATOM 1653 O PRO A 107 0.249 -10.779 0.371 1.00 0.00 O ATOM 1654 CB PRO A 107 0.920 -13.296 -1.608 1.00 0.00 C ATOM 1655 CG PRO A 107 0.481 -14.172 -0.444 1.00 0.00 C ATOM 1656 CD PRO A 107 1.615 -14.054 0.576 1.00 0.00 C ATOM 0 HA PRO A 107 2.567 -11.874 -1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.067 -12.889 -2.151 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.520 -13.853 -2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.466 -13.830 -0.026 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.336 -15.206 -0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 107 1.237 -14.124 1.596 1.00 0.00 H new ATOM 0 HD3 PRO A 107 2.343 -14.855 0.450 1.00 0.00 H new ATOM 1664 N ALA A 108 0.809 -10.165 -1.737 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.107 -9.070 -1.889 1.00 0.00 C ATOM 1666 C ALA A 108 -1.346 -9.559 -2.643 1.00 0.00 C ATOM 1667 O ALA A 108 -1.312 -10.549 -3.382 1.00 0.00 O ATOM 1668 CB ALA A 108 0.633 -7.958 -2.630 1.00 0.00 C ATOM 0 H ALA A 108 1.432 -10.273 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.451 -8.681 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.033 -7.105 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.503 -7.651 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.957 -8.323 -3.604 1.00 0.00 H new ATOM 1674 N SER A 109 -2.455 -8.864 -2.424 1.00 0.00 N ATOM 1675 CA SER A 109 -3.686 -8.984 -3.183 1.00 0.00 C ATOM 1676 C SER A 109 -3.426 -8.495 -4.623 1.00 0.00 C ATOM 1677 O SER A 109 -2.399 -7.853 -4.870 1.00 0.00 O ATOM 1678 CB SER A 109 -4.721 -8.123 -2.446 1.00 0.00 C ATOM 1679 OG SER A 109 -4.980 -8.595 -1.138 1.00 0.00 O ATOM 0 H SER A 109 -2.520 -8.171 -1.678 1.00 0.00 H new ATOM 0 HA SER A 109 -4.051 -10.008 -3.257 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.364 -7.094 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.650 -8.109 -3.015 1.00 0.00 H new ATOM 0 HG SER A 109 -5.749 -9.202 -1.156 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.334 -8.755 -5.580 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.170 -8.271 -6.942 1.00 0.00 C ATOM 1687 C PRO A 110 -4.207 -6.745 -6.953 1.00 0.00 C ATOM 1688 O PRO A 110 -4.667 -6.107 -5.997 1.00 0.00 O ATOM 1689 CB PRO A 110 -5.314 -8.894 -7.752 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.393 -9.156 -6.705 1.00 0.00 C ATOM 1691 CD PRO A 110 -5.578 -9.491 -5.459 1.00 0.00 C ATOM 0 HA PRO A 110 -3.212 -8.554 -7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.667 -8.219 -8.532 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.001 -9.815 -8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.028 -8.284 -6.551 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.047 -9.979 -6.994 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.114 -9.204 -4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.391 -10.563 -5.392 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.723 -6.152 -8.042 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.849 -4.721 -8.235 1.00 0.00 C ATOM 1701 C ASP A 111 -5.323 -4.328 -8.292 1.00 0.00 C ATOM 1702 O ASP A 111 -6.161 -4.998 -8.911 1.00 0.00 O ATOM 1703 CB ASP A 111 -3.081 -4.225 -9.473 1.00 0.00 C ATOM 1704 CG ASP A 111 -3.795 -4.486 -10.803 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -3.586 -5.573 -11.390 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -4.548 -3.611 -11.280 1.00 0.00 O ATOM 0 H ASP A 111 -3.243 -6.642 -8.797 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.390 -4.228 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.905 -3.154 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.104 -4.707 -9.498 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.635 -3.218 -7.632 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.839 -2.439 -7.881 1.00 0.00 C ATOM 1713 C ARG A 112 -6.433 -1.282 -8.790 1.00 0.00 C ATOM 1714 O ARG A 112 -5.246 -1.046 -9.030 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.430 -1.933 -6.547 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.753 -2.565 -6.112 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.869 -2.557 -7.149 1.00 0.00 C ATOM 1718 NE ARG A 112 -10.236 -1.208 -7.619 1.00 0.00 N ATOM 1719 CZ ARG A 112 -11.359 -0.955 -8.300 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -12.273 -1.897 -8.458 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -11.579 0.244 -8.817 1.00 0.00 N ATOM 0 H ARG A 112 -5.046 -2.829 -6.896 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.613 -3.039 -8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.695 -2.102 -5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.574 -0.855 -6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -8.561 -3.598 -5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -9.107 -2.044 -5.222 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.561 -3.158 -8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -10.751 -3.036 -6.723 1.00 0.00 H new ATOM 0 HE ARG A 112 -9.605 -0.433 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.124 -2.824 -8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -13.127 -1.697 -8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -10.889 0.985 -8.698 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -12.439 0.426 -9.335 1.00 0.00 H new ATOM 1735 N VAL A 113 -7.418 -0.513 -9.245 1.00 0.00 N ATOM 1736 CA VAL A 113 -7.182 0.729 -9.963 1.00 0.00 C ATOM 1737 C VAL A 113 -8.046 1.826 -9.341 1.00 0.00 C ATOM 1738 O VAL A 113 -9.088 1.522 -8.745 1.00 0.00 O ATOM 1739 CB VAL A 113 -7.402 0.519 -11.476 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -6.728 -0.759 -11.998 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -8.882 0.431 -11.842 1.00 0.00 C ATOM 0 H VAL A 113 -8.406 -0.738 -9.124 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.146 1.054 -9.868 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.951 1.395 -11.942 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.914 -0.858 -13.067 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.654 -0.702 -11.821 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -7.137 -1.625 -11.477 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.983 0.283 -12.917 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.338 -0.408 -11.316 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -9.384 1.355 -11.554 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.652 3.086 -9.508 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.513 4.261 -9.411 1.00 0.00 C ATOM 1753 C PHE A 114 -7.868 5.356 -10.257 1.00 0.00 C ATOM 1754 O PHE A 114 -6.642 5.433 -10.310 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.686 4.735 -7.958 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.423 5.206 -7.256 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.613 4.242 -6.652 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.059 6.565 -7.164 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.463 4.606 -5.942 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -5.912 6.941 -6.435 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.120 5.953 -5.818 1.00 0.00 C ATOM 0 H PHE A 114 -6.684 3.326 -9.723 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.512 4.016 -9.771 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.410 5.550 -7.946 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.117 3.918 -7.379 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.878 3.198 -6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.659 7.319 -7.652 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.842 3.846 -5.491 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.642 7.983 -6.350 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.247 6.238 -5.249 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.649 6.211 -10.916 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.166 7.415 -11.553 1.00 0.00 C ATOM 1773 C ASN A 115 -8.936 8.588 -10.986 1.00 0.00 C ATOM 1774 O ASN A 115 -10.108 8.460 -10.632 1.00 0.00 O ATOM 1775 CB ASN A 115 -8.302 7.377 -13.077 1.00 0.00 C ATOM 1776 CG ASN A 115 -9.727 7.277 -13.599 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -10.438 6.329 -13.275 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -10.132 8.153 -14.504 1.00 0.00 N ATOM 0 H ASN A 115 -9.655 6.075 -11.019 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.100 7.510 -11.347 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -7.844 8.276 -13.489 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -7.733 6.527 -13.455 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -11.046 8.047 -14.943 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -9.530 8.935 -14.762 1.00 0.00 H new ATOM 1785 N THR A 116 -8.254 9.714 -10.892 1.00 0.00 N ATOM 1786 CA THR A 116 -8.695 10.872 -10.148 1.00 0.00 C ATOM 1787 C THR A 116 -9.509 11.798 -11.069 1.00 0.00 C ATOM 1788 O THR A 116 -9.392 11.689 -12.297 1.00 0.00 O ATOM 1789 CB THR A 116 -7.428 11.490 -9.527 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.416 11.655 -10.500 1.00 0.00 O ATOM 1791 CG2 THR A 116 -6.846 10.551 -8.464 1.00 0.00 C ATOM 0 H THR A 116 -7.351 9.849 -11.346 1.00 0.00 H new ATOM 0 HA THR A 116 -9.382 10.641 -9.334 1.00 0.00 H new ATOM 0 HB THR A 116 -7.720 12.450 -9.101 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.541 11.683 -10.060 1.00 0.00 H new ATOM 0 HG21 THR A 116 -5.951 11.000 -8.033 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.584 10.388 -7.679 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.588 9.597 -8.923 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.383 12.668 -10.529 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.150 13.606 -11.336 1.00 0.00 C ATOM 1801 C PRO A 117 -10.201 14.657 -11.915 1.00 0.00 C ATOM 1802 O PRO A 117 -9.071 14.798 -11.443 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.193 14.207 -10.389 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.571 14.089 -8.997 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.551 12.962 -9.118 1.00 0.00 C ATOM 0 HA PRO A 117 -11.649 13.140 -12.186 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.404 15.246 -10.641 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.138 13.667 -10.447 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.095 15.022 -8.697 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.326 13.860 -8.245 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.601 13.257 -8.673 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -10.893 12.077 -8.581 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.654 15.413 -12.916 1.00 0.00 N ATOM 1814 CA GLU A 118 -9.837 16.362 -13.676 1.00 0.00 C ATOM 1815 C GLU A 118 -9.182 17.426 -12.777 1.00 0.00 C ATOM 1816 O GLU A 118 -8.068 17.882 -13.041 1.00 0.00 O ATOM 1817 CB GLU A 118 -10.693 16.953 -14.804 1.00 0.00 C ATOM 1818 CG GLU A 118 -9.863 17.903 -15.674 1.00 0.00 C ATOM 1819 CD GLU A 118 -10.506 18.201 -17.034 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -11.047 17.278 -17.694 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -10.444 19.361 -17.499 1.00 0.00 O ATOM 0 H GLU A 118 -11.624 15.382 -13.229 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.993 15.838 -14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.098 16.149 -15.419 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.542 17.489 -14.380 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.715 18.840 -15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.876 17.468 -15.834 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.834 17.711 -11.653 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.239 18.257 -10.447 1.00 0.00 C ATOM 1830 C GLY A 119 -9.870 19.571 -10.049 1.00 0.00 C ATOM 1831 O GLY A 119 -10.903 19.592 -9.366 1.00 0.00 O ATOM 0 H GLY A 119 -10.838 17.559 -11.559 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.349 17.541 -9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.170 18.401 -10.603 1.00 0.00 H new ATOM 1835 N SER A 120 -9.224 20.659 -10.451 1.00 0.00 N ATOM 1836 CA SER A 120 -9.736 21.999 -10.300 1.00 0.00 C ATOM 1837 C SER A 120 -9.143 22.851 -11.422 1.00 0.00 C ATOM 1838 O SER A 120 -8.163 22.480 -12.080 1.00 0.00 O ATOM 1839 CB SER A 120 -9.358 22.546 -8.913 1.00 0.00 C ATOM 1840 OG SER A 120 -10.289 23.522 -8.478 1.00 0.00 O ATOM 0 H SER A 120 -8.309 20.624 -10.900 1.00 0.00 H new ATOM 0 HA SER A 120 -10.824 22.017 -10.369 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.321 21.728 -8.194 1.00 0.00 H new ATOM 0 HB3 SER A 120 -8.360 22.982 -8.950 1.00 0.00 H new ATOM 0 HG SER A 120 -10.027 23.853 -7.593 1.00 0.00 H new ATOM 1846 N GLY A 121 -9.725 24.023 -11.607 1.00 0.00 N ATOM 1847 CA GLY A 121 -9.329 25.043 -12.550 1.00 0.00 C ATOM 1848 C GLY A 121 -10.388 26.131 -12.434 1.00 0.00 C ATOM 1849 O GLY A 121 -10.502 26.715 -11.351 1.00 0.00 O ATOM 0 H GLY A 121 -10.542 24.302 -11.063 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -8.338 25.432 -12.315 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -9.283 24.645 -13.564 1.00 0.00 H new ATOM 1853 N PRO A 122 -11.206 26.376 -13.469 1.00 0.00 N ATOM 1854 CA PRO A 122 -12.234 27.402 -13.416 1.00 0.00 C ATOM 1855 C PRO A 122 -13.292 27.056 -12.362 1.00 0.00 C ATOM 1856 O PRO A 122 -13.704 25.901 -12.227 1.00 0.00 O ATOM 1857 CB PRO A 122 -12.821 27.454 -14.831 1.00 0.00 C ATOM 1858 CG PRO A 122 -12.583 26.046 -15.379 1.00 0.00 C ATOM 1859 CD PRO A 122 -11.267 25.637 -14.721 1.00 0.00 C ATOM 0 HA PRO A 122 -11.838 28.374 -13.121 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -13.882 27.702 -14.815 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -12.326 28.209 -15.441 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.394 25.368 -15.114 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.508 26.044 -16.466 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -11.236 24.562 -14.543 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.418 25.879 -15.360 1.00 0.00 H new ATOM 1867 N SER A 123 -13.780 28.079 -11.669 1.00 0.00 N ATOM 1868 CA SER A 123 -15.020 28.075 -10.913 1.00 0.00 C ATOM 1869 C SER A 123 -15.647 29.451 -11.123 1.00 0.00 C ATOM 1870 O SER A 123 -14.913 30.428 -11.291 1.00 0.00 O ATOM 1871 CB SER A 123 -14.753 27.780 -9.426 1.00 0.00 C ATOM 1872 OG SER A 123 -13.724 28.591 -8.874 1.00 0.00 O ATOM 0 H SER A 123 -13.296 28.975 -11.619 1.00 0.00 H new ATOM 0 HA SER A 123 -15.698 27.292 -11.252 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.672 27.934 -8.860 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.481 26.731 -9.313 1.00 0.00 H new ATOM 0 HG SER A 123 -13.599 28.362 -7.929 1.00 0.00 H new ATOM 1878 N SER A 124 -16.975 29.533 -11.118 1.00 0.00 N ATOM 1879 CA SER A 124 -17.673 30.807 -11.034 1.00 0.00 C ATOM 1880 C SER A 124 -17.547 31.382 -9.617 1.00 0.00 C ATOM 1881 O SER A 124 -17.057 30.711 -8.703 1.00 0.00 O ATOM 1882 CB SER A 124 -19.142 30.591 -11.418 1.00 0.00 C ATOM 1883 OG SER A 124 -19.231 29.926 -12.669 1.00 0.00 O ATOM 0 H SER A 124 -17.592 28.722 -11.172 1.00 0.00 H new ATOM 0 HA SER A 124 -17.229 31.526 -11.723 1.00 0.00 H new ATOM 0 HB2 SER A 124 -19.643 30.003 -10.649 1.00 0.00 H new ATOM 0 HB3 SER A 124 -19.656 31.551 -11.471 1.00 0.00 H new ATOM 0 HG SER A 124 -20.173 29.792 -12.902 1.00 0.00 H new ATOM 1889 N GLY A 125 -18.028 32.607 -9.446 1.00 0.00 N ATOM 1890 CA GLY A 125 -18.253 33.314 -8.204 1.00 0.00 C ATOM 1891 C GLY A 125 -19.181 34.476 -8.531 1.00 0.00 C ATOM 1892 O GLY A 125 -19.510 35.212 -7.583 1.00 0.00 O ATOM 0 H GLY A 125 -18.292 33.177 -10.249 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -18.702 32.657 -7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -17.313 33.674 -7.786 1.00 0.00 H new TER 1896 GLY A 125