USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1096 hydrogens (48 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 112 LYS NZ :NH3+ -161:sc= 0.554 (180deg=0) USER MOD Set 1.2: A 116 GLN : amide:sc= 0.511 K(o=1.1,f=-4.1!) USER MOD Set 2.1: A 54 SER OG : rot -143:sc= -0.134 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.0896 X(o=-0.22,f=-0.24) USER MOD Set 3.1: A 29 TYR OH : rot 166:sc= 1.24 USER MOD Set 3.2: A 97 THR OG1 : rot 156:sc= 1.66 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00916 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0112) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 0.0223 (180deg=-0.0182) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.92! C(o=-3.9!,f=-11!) USER MOD Single : A 38 SER OG : rot -78:sc= 1.16 USER MOD Single : A 47 ASN : amide:sc= -0.0397 X(o=-0.04,f=-0.23) USER MOD Single : A 53 THR OG1 : rot -49:sc= 1.64 USER MOD Single : A 57 CYS SG : rot -107:sc= 0.0941 USER MOD Single : A 59 GLN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 67 SER OG : rot 140:sc= -1.27 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -41:sc= -0.475 USER MOD Single : A 80 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.6) USER MOD Single : A 81 THR OG1 : rot 79:sc= 0.0672 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 90:sc= -0.221 USER MOD Single : A 89 HIS : +bothHN:sc= -1.08! C(o=-1.1!,f=-5.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.67) USER MOD Single : A 109 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.32) USER MOD Single : A 110 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0356) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.5!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0.00474 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.0354 K(o=-0.035,f=-1.4) USER MOD Single : A 131 ASN : amide:sc=-0.00176 K(o=-0.0018,f=-1.5) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -5.602 11.200 1.964 1.00 13.00 N ATOM 2 CA GLY A 2 -4.249 10.681 2.034 1.00 45.03 C ATOM 3 C GLY A 2 -4.182 9.193 1.753 1.00 21.13 C ATOM 4 O GLY A 2 -5.046 8.434 2.189 1.00 75.23 O ATOM 0 HA2 GLY A 2 -3.622 11.211 1.317 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -3.838 10.879 3.024 1.00 45.03 H new ATOM 8 N ALA A 3 -3.155 8.777 1.020 1.00 55.54 N ATOM 9 CA ALA A 3 -2.979 7.370 0.681 1.00 62.22 C ATOM 10 C ALA A 3 -4.234 6.801 0.027 1.00 0.35 C ATOM 11 O ALA A 3 -4.636 5.672 0.309 1.00 21.42 O ATOM 12 CB ALA A 3 -2.621 6.568 1.924 1.00 5.30 C ATOM 0 H ALA A 3 -2.432 9.394 0.649 1.00 55.54 H new ATOM 0 HA ALA A 3 -2.161 7.295 -0.036 1.00 62.22 H new ATOM 0 HB1 ALA A 3 -2.493 5.519 1.656 1.00 5.30 H new ATOM 0 HB2 ALA A 3 -1.693 6.950 2.349 1.00 5.30 H new ATOM 0 HB3 ALA A 3 -3.421 6.659 2.659 1.00 5.30 H new ATOM 18 N ARG A 4 -4.849 7.592 -0.847 1.00 55.13 N ATOM 19 CA ARG A 4 -6.060 7.167 -1.539 1.00 21.02 C ATOM 20 C ARG A 4 -5.723 6.540 -2.889 1.00 70.44 C ATOM 21 O ARG A 4 -5.399 7.241 -3.847 1.00 2.10 O ATOM 22 CB ARG A 4 -7.002 8.356 -1.738 1.00 14.43 C ATOM 23 CG ARG A 4 -8.032 8.509 -0.631 1.00 23.13 C ATOM 24 CD ARG A 4 -8.398 9.969 -0.409 1.00 61.41 C ATOM 25 NE ARG A 4 -9.793 10.129 -0.012 1.00 72.51 N ATOM 26 CZ ARG A 4 -10.812 10.063 -0.862 1.00 41.31 C ATOM 27 NH1 ARG A 4 -10.591 9.841 -2.150 1.00 51.13 N1+ ATOM 28 NH2 ARG A 4 -12.055 10.219 -0.424 1.00 51.20 N ATOM 0 H ARG A 4 -4.529 8.529 -1.092 1.00 55.13 H new ATOM 0 HA ARG A 4 -6.557 6.417 -0.923 1.00 21.02 H new ATOM 0 HB2 ARG A 4 -6.411 9.270 -1.802 1.00 14.43 H new ATOM 0 HB3 ARG A 4 -7.519 8.243 -2.691 1.00 14.43 H new ATOM 0 HG2 ARG A 4 -8.928 7.943 -0.885 1.00 23.13 H new ATOM 0 HG3 ARG A 4 -7.639 8.086 0.294 1.00 23.13 H new ATOM 0 HD2 ARG A 4 -7.752 10.392 0.360 1.00 61.41 H new ATOM 0 HD3 ARG A 4 -8.215 10.532 -1.324 1.00 61.41 H new ATOM 0 HE ARG A 4 -9.997 10.301 0.972 1.00 72.51 H new ATOM 0 HH11 ARG A 4 -9.637 9.720 -2.490 1.00 51.13 H new ATOM 0 HH12 ARG A 4 -11.375 9.791 -2.801 1.00 51.13 H new ATOM 0 HH21 ARG A 4 -12.229 10.390 0.566 1.00 51.20 H new ATOM 0 HH22 ARG A 4 -12.836 10.168 -1.078 1.00 51.20 H new ATOM 42 N ALA A 5 -5.802 5.215 -2.956 1.00 31.30 N ATOM 43 CA ALA A 5 -5.507 4.493 -4.187 1.00 63.00 C ATOM 44 C ALA A 5 -6.786 4.162 -4.949 1.00 63.34 C ATOM 45 O ALA A 5 -7.233 3.015 -4.960 1.00 2.14 O ATOM 46 CB ALA A 5 -4.728 3.223 -3.881 1.00 62.20 C ATOM 0 H ALA A 5 -6.068 4.620 -2.172 1.00 31.30 H new ATOM 0 HA ALA A 5 -4.895 5.137 -4.819 1.00 63.00 H new ATOM 0 HB1 ALA A 5 -4.515 2.694 -4.810 1.00 62.20 H new ATOM 0 HB2 ALA A 5 -3.791 3.481 -3.387 1.00 62.20 H new ATOM 0 HB3 ALA A 5 -5.319 2.582 -3.226 1.00 62.20 H new ATOM 52 N SER A 6 -7.370 5.173 -5.584 1.00 24.01 N ATOM 53 CA SER A 6 -8.600 4.989 -6.344 1.00 11.41 C ATOM 54 C SER A 6 -8.825 6.155 -7.303 1.00 33.53 C ATOM 55 O SER A 6 -8.378 7.275 -7.053 1.00 15.12 O ATOM 56 CB SER A 6 -9.794 4.854 -5.398 1.00 13.14 C ATOM 57 OG SER A 6 -9.796 5.886 -4.427 1.00 1.52 O ATOM 0 H SER A 6 -7.011 6.128 -5.587 1.00 24.01 H new ATOM 0 HA SER A 6 -8.504 4.074 -6.928 1.00 11.41 H new ATOM 0 HB2 SER A 6 -10.721 4.888 -5.971 1.00 13.14 H new ATOM 0 HB3 SER A 6 -9.761 3.884 -4.902 1.00 13.14 H new ATOM 0 HG SER A 6 -10.570 5.778 -3.836 1.00 1.52 H new ATOM 63 N VAL A 7 -9.524 5.883 -8.401 1.00 45.30 N ATOM 64 CA VAL A 7 -9.810 6.909 -9.398 1.00 34.43 C ATOM 65 C VAL A 7 -11.025 7.738 -8.998 1.00 32.25 C ATOM 66 O VAL A 7 -10.916 8.938 -8.743 1.00 24.30 O ATOM 67 CB VAL A 7 -10.059 6.289 -10.785 1.00 31.20 C ATOM 68 CG1 VAL A 7 -10.386 7.371 -11.802 1.00 41.23 C ATOM 69 CG2 VAL A 7 -8.852 5.475 -11.229 1.00 32.31 C ATOM 0 H VAL A 7 -9.902 4.962 -8.623 1.00 45.30 H new ATOM 0 HA VAL A 7 -8.934 7.555 -9.450 1.00 34.43 H new ATOM 0 HB VAL A 7 -10.915 5.618 -10.716 1.00 31.20 H new ATOM 0 HG11 VAL A 7 -10.559 6.914 -12.776 1.00 41.23 H new ATOM 0 HG12 VAL A 7 -11.282 7.907 -11.488 1.00 41.23 H new ATOM 0 HG13 VAL A 7 -9.552 8.069 -11.871 1.00 41.23 H new ATOM 0 HG21 VAL A 7 -9.045 5.044 -12.211 1.00 32.31 H new ATOM 0 HG22 VAL A 7 -7.976 6.122 -11.283 1.00 32.31 H new ATOM 0 HG23 VAL A 7 -8.669 4.675 -10.512 1.00 32.31 H new ATOM 79 N LEU A 8 -12.184 7.091 -8.945 1.00 33.22 N ATOM 80 CA LEU A 8 -13.423 7.769 -8.576 1.00 20.51 C ATOM 81 C LEU A 8 -13.972 7.222 -7.262 1.00 21.21 C ATOM 82 O LEU A 8 -14.079 6.010 -7.079 1.00 43.24 O ATOM 83 CB LEU A 8 -14.465 7.608 -9.683 1.00 41.30 C ATOM 84 CG LEU A 8 -14.158 8.318 -11.003 1.00 62.23 C ATOM 85 CD1 LEU A 8 -15.163 7.918 -12.070 1.00 13.42 C ATOM 86 CD2 LEU A 8 -14.155 9.827 -10.808 1.00 21.30 C ATOM 0 H LEU A 8 -12.292 6.098 -9.153 1.00 33.22 H new ATOM 0 HA LEU A 8 -13.203 8.828 -8.444 1.00 20.51 H new ATOM 0 HB2 LEU A 8 -14.589 6.544 -9.886 1.00 41.30 H new ATOM 0 HB3 LEU A 8 -15.421 7.975 -9.310 1.00 41.30 H new ATOM 0 HG LEU A 8 -13.166 8.013 -11.336 1.00 62.23 H new ATOM 0 HD11 LEU A 8 -14.929 8.433 -13.002 1.00 13.42 H new ATOM 0 HD12 LEU A 8 -15.116 6.841 -12.229 1.00 13.42 H new ATOM 0 HD13 LEU A 8 -16.167 8.193 -11.746 1.00 13.42 H new ATOM 0 HD21 LEU A 8 -13.935 10.316 -11.757 1.00 21.30 H new ATOM 0 HD22 LEU A 8 -15.133 10.150 -10.452 1.00 21.30 H new ATOM 0 HD23 LEU A 8 -13.395 10.098 -10.075 1.00 21.30 H new ATOM 98 N SER A 9 -14.320 8.125 -6.351 1.00 61.31 N ATOM 99 CA SER A 9 -14.857 7.733 -5.053 1.00 31.40 C ATOM 100 C SER A 9 -16.318 7.308 -5.174 1.00 1.22 C ATOM 101 O SER A 9 -16.851 7.189 -6.276 1.00 4.25 O ATOM 102 CB SER A 9 -14.731 8.886 -4.056 1.00 30.13 C ATOM 103 OG SER A 9 -15.875 9.721 -4.094 1.00 32.11 O ATOM 0 H SER A 9 -14.240 9.133 -6.488 1.00 61.31 H new ATOM 0 HA SER A 9 -14.279 6.883 -4.691 1.00 31.40 H new ATOM 0 HB2 SER A 9 -14.601 8.488 -3.050 1.00 30.13 H new ATOM 0 HB3 SER A 9 -13.841 9.473 -4.284 1.00 30.13 H new ATOM 0 HG SER A 9 -15.770 10.449 -3.446 1.00 32.11 H new ATOM 109 N GLY A 10 -16.959 7.082 -4.032 1.00 15.15 N ATOM 110 CA GLY A 10 -18.352 6.674 -4.032 1.00 73.55 C ATOM 111 C GLY A 10 -19.243 7.650 -4.774 1.00 51.34 C ATOM 112 O GLY A 10 -20.027 7.252 -5.636 1.00 23.53 O ATOM 0 H GLY A 10 -16.539 7.174 -3.107 1.00 15.15 H new ATOM 0 HA2 GLY A 10 -18.438 5.688 -4.489 1.00 73.55 H new ATOM 0 HA3 GLY A 10 -18.700 6.580 -3.003 1.00 73.55 H new ATOM 116 N GLY A 11 -19.123 8.931 -4.440 1.00 50.24 N ATOM 117 CA GLY A 11 -19.931 9.945 -5.090 1.00 43.10 C ATOM 118 C GLY A 11 -19.582 10.114 -6.556 1.00 31.44 C ATOM 119 O GLY A 11 -20.468 10.224 -7.402 1.00 32.31 O ATOM 0 H GLY A 11 -18.481 9.284 -3.731 1.00 50.24 H new ATOM 0 HA2 GLY A 11 -20.984 9.679 -4.999 1.00 43.10 H new ATOM 0 HA3 GLY A 11 -19.797 10.897 -4.576 1.00 43.10 H new ATOM 123 N GLU A 12 -18.287 10.134 -6.855 1.00 5.15 N ATOM 124 CA GLU A 12 -17.825 10.294 -8.229 1.00 1.20 C ATOM 125 C GLU A 12 -18.244 9.103 -9.086 1.00 54.01 C ATOM 126 O GLU A 12 -18.469 9.238 -10.290 1.00 71.43 O ATOM 127 CB GLU A 12 -16.303 10.449 -8.263 1.00 53.32 C ATOM 128 CG GLU A 12 -15.770 11.450 -7.253 1.00 22.42 C ATOM 129 CD GLU A 12 -14.273 11.663 -7.375 1.00 34.24 C ATOM 130 OE1 GLU A 12 -13.861 12.546 -8.155 1.00 31.00 O1- ATOM 131 OE2 GLU A 12 -13.515 10.946 -6.689 1.00 60.23 O ATOM 0 H GLU A 12 -17.541 10.042 -6.166 1.00 5.15 H new ATOM 0 HA GLU A 12 -18.285 11.194 -8.638 1.00 1.20 H new ATOM 0 HB2 GLU A 12 -15.843 9.478 -8.077 1.00 53.32 H new ATOM 0 HB3 GLU A 12 -16.000 10.759 -9.263 1.00 53.32 H new ATOM 0 HG2 GLU A 12 -16.281 12.403 -7.388 1.00 22.42 H new ATOM 0 HG3 GLU A 12 -16.003 11.103 -6.246 1.00 22.42 H new ATOM 138 N LEU A 13 -18.350 7.937 -8.457 1.00 44.52 N ATOM 139 CA LEU A 13 -18.742 6.722 -9.162 1.00 73.34 C ATOM 140 C LEU A 13 -20.171 6.832 -9.684 1.00 71.43 C ATOM 141 O LEU A 13 -20.428 6.617 -10.868 1.00 24.34 O ATOM 142 CB LEU A 13 -18.617 5.510 -8.236 1.00 21.23 C ATOM 143 CG LEU A 13 -18.656 4.140 -8.915 1.00 71.52 C ATOM 144 CD1 LEU A 13 -17.478 3.981 -9.862 1.00 53.45 C ATOM 145 CD2 LEU A 13 -18.659 3.030 -7.874 1.00 72.42 C ATOM 0 H LEU A 13 -18.170 7.808 -7.461 1.00 44.52 H new ATOM 0 HA LEU A 13 -18.073 6.593 -10.013 1.00 73.34 H new ATOM 0 HB2 LEU A 13 -17.680 5.594 -7.685 1.00 21.23 H new ATOM 0 HB3 LEU A 13 -19.423 5.553 -7.503 1.00 21.23 H new ATOM 0 HG LEU A 13 -19.575 4.069 -9.496 1.00 71.52 H new ATOM 0 HD11 LEU A 13 -17.522 3.000 -10.336 1.00 53.45 H new ATOM 0 HD12 LEU A 13 -17.519 4.756 -10.627 1.00 53.45 H new ATOM 0 HD13 LEU A 13 -16.547 4.072 -9.303 1.00 53.45 H new ATOM 0 HD21 LEU A 13 -18.687 2.062 -8.374 1.00 72.42 H new ATOM 0 HD22 LEU A 13 -17.757 3.099 -7.266 1.00 72.42 H new ATOM 0 HD23 LEU A 13 -19.536 3.133 -7.235 1.00 72.42 H new ATOM 157 N ASP A 14 -21.096 7.170 -8.792 1.00 55.22 N ATOM 158 CA ASP A 14 -22.499 7.313 -9.164 1.00 74.52 C ATOM 159 C ASP A 14 -22.653 8.243 -10.362 1.00 22.05 C ATOM 160 O ASP A 14 -23.301 7.899 -11.350 1.00 43.01 O ATOM 161 CB ASP A 14 -23.311 7.845 -7.980 1.00 45.41 C ATOM 162 CG ASP A 14 -23.750 6.744 -7.036 1.00 51.25 C ATOM 163 OD1 ASP A 14 -22.910 5.883 -6.697 1.00 3.14 O1- ATOM 164 OD2 ASP A 14 -24.934 6.740 -6.638 1.00 64.13 O ATOM 0 H ASP A 14 -20.900 7.350 -7.807 1.00 55.22 H new ATOM 0 HA ASP A 14 -22.877 6.329 -9.442 1.00 74.52 H new ATOM 0 HB2 ASP A 14 -22.713 8.573 -7.431 1.00 45.41 H new ATOM 0 HB3 ASP A 14 -24.190 8.371 -8.353 1.00 45.41 H new ATOM 169 N LYS A 15 -22.052 9.425 -10.267 1.00 14.05 N ATOM 170 CA LYS A 15 -22.121 10.407 -11.342 1.00 11.43 C ATOM 171 C LYS A 15 -21.435 9.885 -12.601 1.00 74.32 C ATOM 172 O LYS A 15 -21.930 10.073 -13.712 1.00 64.13 O ATOM 173 CB LYS A 15 -21.473 11.722 -10.903 1.00 35.01 C ATOM 174 CG LYS A 15 -22.461 12.728 -10.338 1.00 60.51 C ATOM 175 CD LYS A 15 -23.214 12.161 -9.146 1.00 63.53 C ATOM 176 CE LYS A 15 -23.957 13.250 -8.387 1.00 61.24 C ATOM 177 NZ LYS A 15 -24.727 12.698 -7.238 1.00 14.21 N1+ ATOM 0 H LYS A 15 -21.512 9.726 -9.456 1.00 14.05 H new ATOM 0 HA LYS A 15 -23.172 10.586 -11.569 1.00 11.43 H new ATOM 0 HB2 LYS A 15 -20.713 11.510 -10.151 1.00 35.01 H new ATOM 0 HB3 LYS A 15 -20.961 12.168 -11.756 1.00 35.01 H new ATOM 0 HG2 LYS A 15 -21.930 13.632 -10.038 1.00 60.51 H new ATOM 0 HG3 LYS A 15 -23.170 13.018 -11.113 1.00 60.51 H new ATOM 0 HD2 LYS A 15 -23.922 11.406 -9.487 1.00 63.53 H new ATOM 0 HD3 LYS A 15 -22.514 11.662 -8.476 1.00 63.53 H new ATOM 0 HE2 LYS A 15 -23.244 13.991 -8.024 1.00 61.24 H new ATOM 0 HE3 LYS A 15 -24.636 13.766 -9.065 1.00 61.24 H new ATOM 0 HZ1 LYS A 15 -25.219 13.471 -6.746 1.00 14.21 H new ATOM 0 HZ2 LYS A 15 -25.425 12.010 -7.586 1.00 14.21 H new ATOM 0 HZ3 LYS A 15 -24.076 12.227 -6.578 1.00 14.21 H new ATOM 191 N TRP A 16 -20.295 9.230 -12.418 1.00 75.24 N ATOM 192 CA TRP A 16 -19.542 8.678 -13.538 1.00 42.10 C ATOM 193 C TRP A 16 -20.408 7.737 -14.366 1.00 53.35 C ATOM 194 O TRP A 16 -20.559 7.919 -15.574 1.00 74.10 O ATOM 195 CB TRP A 16 -18.302 7.940 -13.033 1.00 74.33 C ATOM 196 CG TRP A 16 -17.529 7.261 -14.123 1.00 51.22 C ATOM 197 CD1 TRP A 16 -17.546 5.931 -14.434 1.00 51.40 C ATOM 198 CD2 TRP A 16 -16.623 7.878 -15.043 1.00 2.44 C ATOM 199 NE1 TRP A 16 -16.706 5.685 -15.493 1.00 4.31 N ATOM 200 CE2 TRP A 16 -16.128 6.864 -15.886 1.00 22.02 C ATOM 201 CE3 TRP A 16 -16.183 9.191 -15.239 1.00 52.10 C ATOM 202 CZ2 TRP A 16 -15.216 7.122 -16.905 1.00 2.32 C ATOM 203 CZ3 TRP A 16 -15.277 9.445 -16.252 1.00 32.55 C ATOM 204 CH2 TRP A 16 -14.803 8.416 -17.075 1.00 71.32 C ATOM 0 H TRP A 16 -19.871 9.068 -11.504 1.00 75.24 H new ATOM 0 HA TRP A 16 -19.228 9.506 -14.174 1.00 42.10 H new ATOM 0 HB2 TRP A 16 -17.650 8.648 -12.522 1.00 74.33 H new ATOM 0 HB3 TRP A 16 -18.606 7.197 -12.296 1.00 74.33 H new ATOM 0 HD1 TRP A 16 -18.133 5.183 -13.923 1.00 51.40 H new ATOM 0 HE1 TRP A 16 -16.539 4.773 -15.918 1.00 4.31 H new ATOM 0 HE3 TRP A 16 -16.544 9.992 -14.611 1.00 52.10 H new ATOM 0 HZ2 TRP A 16 -14.847 6.329 -17.539 1.00 2.32 H new ATOM 0 HZ3 TRP A 16 -14.929 10.455 -16.411 1.00 32.55 H new ATOM 0 HH2 TRP A 16 -14.098 8.648 -17.859 1.00 71.32 H new ATOM 215 N GLU A 17 -20.975 6.730 -13.709 1.00 41.44 N ATOM 216 CA GLU A 17 -21.826 5.758 -14.387 1.00 3.32 C ATOM 217 C GLU A 17 -23.009 6.449 -15.061 1.00 45.45 C ATOM 218 O GLU A 17 -23.569 5.939 -16.033 1.00 44.13 O ATOM 219 CB GLU A 17 -22.333 4.710 -13.394 1.00 61.20 C ATOM 220 CG GLU A 17 -21.314 3.627 -13.081 1.00 53.55 C ATOM 221 CD GLU A 17 -21.940 2.409 -12.430 1.00 33.21 C ATOM 222 OE1 GLU A 17 -22.508 2.552 -11.327 1.00 53.02 O ATOM 223 OE2 GLU A 17 -21.862 1.312 -13.023 1.00 32.23 O1- ATOM 0 H GLU A 17 -20.861 6.566 -12.709 1.00 41.44 H new ATOM 0 HA GLU A 17 -21.230 5.263 -15.154 1.00 3.32 H new ATOM 0 HB2 GLU A 17 -22.618 5.208 -12.467 1.00 61.20 H new ATOM 0 HB3 GLU A 17 -23.233 4.245 -13.797 1.00 61.20 H new ATOM 0 HG2 GLU A 17 -20.815 3.326 -14.002 1.00 53.55 H new ATOM 0 HG3 GLU A 17 -20.548 4.034 -12.421 1.00 53.55 H new ATOM 230 N LYS A 18 -23.383 7.612 -14.540 1.00 72.34 N ATOM 231 CA LYS A 18 -24.498 8.374 -15.090 1.00 61.30 C ATOM 232 C LYS A 18 -24.082 9.104 -16.363 1.00 64.23 C ATOM 233 O LYS A 18 -24.776 9.044 -17.379 1.00 33.42 O ATOM 234 CB LYS A 18 -25.013 9.380 -14.058 1.00 55.31 C ATOM 235 CG LYS A 18 -26.133 8.838 -13.187 1.00 21.21 C ATOM 236 CD LYS A 18 -26.797 9.942 -12.381 1.00 34.30 C ATOM 237 CE LYS A 18 -26.379 9.894 -10.919 1.00 53.31 C ATOM 238 NZ LYS A 18 -27.165 10.844 -10.085 1.00 10.34 N1+ ATOM 0 H LYS A 18 -22.930 8.048 -13.737 1.00 72.34 H new ATOM 0 HA LYS A 18 -25.297 7.675 -15.337 1.00 61.30 H new ATOM 0 HB2 LYS A 18 -24.185 9.689 -13.420 1.00 55.31 H new ATOM 0 HB3 LYS A 18 -25.366 10.271 -14.577 1.00 55.31 H new ATOM 0 HG2 LYS A 18 -26.877 8.346 -13.814 1.00 21.21 H new ATOM 0 HG3 LYS A 18 -25.735 8.081 -12.511 1.00 21.21 H new ATOM 0 HD2 LYS A 18 -26.534 10.911 -12.804 1.00 34.30 H new ATOM 0 HD3 LYS A 18 -27.880 9.846 -12.454 1.00 34.30 H new ATOM 0 HE2 LYS A 18 -26.510 8.882 -10.537 1.00 53.31 H new ATOM 0 HE3 LYS A 18 -25.318 10.131 -10.837 1.00 53.31 H new ATOM 0 HZ1 LYS A 18 -26.850 10.781 -9.096 1.00 10.34 H new ATOM 0 HZ2 LYS A 18 -27.020 11.813 -10.433 1.00 10.34 H new ATOM 0 HZ3 LYS A 18 -28.175 10.603 -10.143 1.00 10.34 H new ATOM 252 N ILE A 19 -22.946 9.789 -16.302 1.00 23.52 N ATOM 253 CA ILE A 19 -22.437 10.528 -17.451 1.00 73.11 C ATOM 254 C ILE A 19 -22.377 9.642 -18.691 1.00 60.32 C ATOM 255 O ILE A 19 -21.976 8.481 -18.617 1.00 55.53 O ATOM 256 CB ILE A 19 -21.035 11.102 -17.176 1.00 43.11 C ATOM 257 CG1 ILE A 19 -21.071 12.035 -15.964 1.00 72.12 C ATOM 258 CG2 ILE A 19 -20.514 11.837 -18.402 1.00 65.21 C ATOM 259 CD1 ILE A 19 -19.891 11.861 -15.033 1.00 21.52 C ATOM 0 H ILE A 19 -22.360 9.848 -15.469 1.00 23.52 H new ATOM 0 HA ILE A 19 -23.129 11.351 -17.628 1.00 73.11 H new ATOM 0 HB ILE A 19 -20.357 10.277 -16.956 1.00 43.11 H new ATOM 0 HG12 ILE A 19 -21.100 13.068 -16.311 1.00 72.12 H new ATOM 0 HG13 ILE A 19 -21.992 11.859 -15.408 1.00 72.12 H new ATOM 0 HG21 ILE A 19 -19.522 12.237 -18.192 1.00 65.21 H new ATOM 0 HG22 ILE A 19 -20.456 11.146 -19.243 1.00 65.21 H new ATOM 0 HG23 ILE A 19 -21.190 12.655 -18.650 1.00 65.21 H new ATOM 0 HD11 ILE A 19 -19.982 12.554 -14.197 1.00 21.52 H new ATOM 0 HD12 ILE A 19 -19.872 10.838 -14.657 1.00 21.52 H new ATOM 0 HD13 ILE A 19 -18.967 12.065 -15.574 1.00 21.52 H new ATOM 271 N ARG A 20 -22.777 10.200 -19.829 1.00 44.11 N ATOM 272 CA ARG A 20 -22.768 9.461 -21.086 1.00 52.25 C ATOM 273 C ARG A 20 -21.488 9.736 -21.870 1.00 22.01 C ATOM 274 O ARG A 20 -20.820 10.748 -21.653 1.00 20.53 O ATOM 275 CB ARG A 20 -23.987 9.836 -21.931 1.00 70.34 C ATOM 276 CG ARG A 20 -25.280 9.197 -21.452 1.00 71.04 C ATOM 277 CD ARG A 20 -26.197 10.219 -20.799 1.00 52.21 C ATOM 278 NE ARG A 20 -27.469 9.630 -20.389 1.00 0.11 N ATOM 279 CZ ARG A 20 -28.545 10.346 -20.080 1.00 54.45 C ATOM 280 NH1 ARG A 20 -28.503 11.669 -20.136 1.00 23.12 N1+ ATOM 281 NH2 ARG A 20 -29.666 9.736 -19.716 1.00 75.21 N ATOM 0 H ARG A 20 -23.111 11.161 -19.906 1.00 44.11 H new ATOM 0 HA ARG A 20 -22.809 8.397 -20.853 1.00 52.25 H new ATOM 0 HB2 ARG A 20 -24.103 10.920 -21.925 1.00 70.34 H new ATOM 0 HB3 ARG A 20 -23.807 9.541 -22.965 1.00 70.34 H new ATOM 0 HG2 ARG A 20 -25.792 8.733 -22.295 1.00 71.04 H new ATOM 0 HG3 ARG A 20 -25.053 8.403 -20.741 1.00 71.04 H new ATOM 0 HD2 ARG A 20 -25.700 10.649 -19.930 1.00 52.21 H new ATOM 0 HD3 ARG A 20 -26.384 11.036 -21.496 1.00 52.21 H new ATOM 0 HE ARG A 20 -27.535 8.613 -20.337 1.00 0.11 H new ATOM 0 HH11 ARG A 20 -27.643 12.141 -20.417 1.00 23.12 H new ATOM 0 HH12 ARG A 20 -29.330 12.216 -19.898 1.00 23.12 H new ATOM 0 HH21 ARG A 20 -29.702 8.718 -19.673 1.00 75.21 H new ATOM 0 HH22 ARG A 20 -30.492 10.286 -19.479 1.00 75.21 H new ATOM 295 N LEU A 21 -21.152 8.830 -22.780 1.00 40.21 N ATOM 296 CA LEU A 21 -19.951 8.974 -23.597 1.00 51.43 C ATOM 297 C LEU A 21 -20.124 10.085 -24.628 1.00 31.31 C ATOM 298 O LEU A 21 -19.148 10.688 -25.074 1.00 3.53 O ATOM 299 CB LEU A 21 -19.627 7.655 -24.301 1.00 14.12 C ATOM 300 CG LEU A 21 -19.168 6.509 -23.400 1.00 42.53 C ATOM 301 CD1 LEU A 21 -19.412 5.168 -24.077 1.00 32.21 C ATOM 302 CD2 LEU A 21 -17.697 6.668 -23.044 1.00 44.22 C ATOM 0 H LEU A 21 -21.694 7.987 -22.972 1.00 40.21 H new ATOM 0 HA LEU A 21 -19.124 9.240 -22.939 1.00 51.43 H new ATOM 0 HB2 LEU A 21 -20.513 7.330 -24.846 1.00 14.12 H new ATOM 0 HB3 LEU A 21 -18.849 7.843 -25.041 1.00 14.12 H new ATOM 0 HG LEU A 21 -19.750 6.540 -22.479 1.00 42.53 H new ATOM 0 HD11 LEU A 21 -19.079 4.363 -23.421 1.00 32.21 H new ATOM 0 HD12 LEU A 21 -20.476 5.052 -24.282 1.00 32.21 H new ATOM 0 HD13 LEU A 21 -18.855 5.127 -25.013 1.00 32.21 H new ATOM 0 HD21 LEU A 21 -17.387 5.844 -22.402 1.00 44.22 H new ATOM 0 HD22 LEU A 21 -17.099 6.663 -23.956 1.00 44.22 H new ATOM 0 HD23 LEU A 21 -17.550 7.612 -22.519 1.00 44.22 H new ATOM 314 N ARG A 22 -21.372 10.352 -25.000 1.00 51.13 N ATOM 315 CA ARG A 22 -21.673 11.391 -25.977 1.00 64.43 C ATOM 316 C ARG A 22 -23.000 12.071 -25.655 1.00 55.52 C ATOM 317 O ARG A 22 -23.845 11.532 -24.940 1.00 64.52 O ATOM 318 CB ARG A 22 -21.720 10.798 -27.386 1.00 60.34 C ATOM 319 CG ARG A 22 -20.444 11.019 -28.183 1.00 31.24 C ATOM 320 CD ARG A 22 -20.247 9.936 -29.231 1.00 62.04 C ATOM 321 NE ARG A 22 -21.353 9.886 -30.183 1.00 33.34 N ATOM 322 CZ ARG A 22 -21.370 9.097 -31.250 1.00 51.43 C ATOM 323 NH1 ARG A 22 -20.345 8.294 -31.500 1.00 51.44 N1+ ATOM 324 NH2 ARG A 22 -22.413 9.108 -32.070 1.00 73.42 N ATOM 0 H ARG A 22 -22.191 9.863 -24.639 1.00 51.13 H new ATOM 0 HA ARG A 22 -20.881 12.138 -25.931 1.00 64.43 H new ATOM 0 HB2 ARG A 22 -21.913 9.728 -27.314 1.00 60.34 H new ATOM 0 HB3 ARG A 22 -22.558 11.237 -27.928 1.00 60.34 H new ATOM 0 HG2 ARG A 22 -20.481 11.994 -28.669 1.00 31.24 H new ATOM 0 HG3 ARG A 22 -19.589 11.032 -27.507 1.00 31.24 H new ATOM 0 HD2 ARG A 22 -19.315 10.116 -29.767 1.00 62.04 H new ATOM 0 HD3 ARG A 22 -20.149 8.969 -28.738 1.00 62.04 H new ATOM 0 HE ARG A 22 -22.157 10.491 -30.019 1.00 33.34 H new ATOM 0 HH11 ARG A 22 -19.542 8.282 -30.872 1.00 51.44 H new ATOM 0 HH12 ARG A 22 -20.360 7.688 -32.321 1.00 51.44 H new ATOM 0 HH21 ARG A 22 -23.204 9.724 -31.881 1.00 73.42 H new ATOM 0 HH22 ARG A 22 -22.424 8.501 -32.889 1.00 73.42 H new ATOM 338 N PRO A 23 -23.191 13.284 -26.196 1.00 43.35 N ATOM 339 CA PRO A 23 -24.413 14.063 -25.982 1.00 20.42 C ATOM 340 C PRO A 23 -25.622 13.453 -26.684 1.00 42.15 C ATOM 341 O PRO A 23 -26.746 13.542 -26.195 1.00 33.45 O ATOM 342 CB PRO A 23 -24.075 15.428 -26.589 1.00 40.05 C ATOM 343 CG PRO A 23 -23.023 15.140 -27.604 1.00 33.23 C ATOM 344 CD PRO A 23 -22.227 13.987 -27.061 1.00 73.33 C ATOM 0 HA PRO A 23 -24.689 14.106 -24.928 1.00 20.42 H new ATOM 0 HB2 PRO A 23 -24.952 15.886 -27.046 1.00 40.05 H new ATOM 0 HB3 PRO A 23 -23.713 16.121 -25.829 1.00 40.05 H new ATOM 0 HG2 PRO A 23 -23.468 14.888 -28.566 1.00 33.23 H new ATOM 0 HG3 PRO A 23 -22.388 16.011 -27.765 1.00 33.23 H new ATOM 0 HD2 PRO A 23 -21.858 13.342 -27.859 1.00 73.33 H new ATOM 0 HD3 PRO A 23 -21.357 14.328 -26.499 1.00 73.33 H new ATOM 352 N GLY A 24 -25.380 12.832 -27.834 1.00 53.32 N ATOM 353 CA GLY A 24 -26.458 12.215 -28.585 1.00 12.02 C ATOM 354 C GLY A 24 -26.542 10.719 -28.356 1.00 53.32 C ATOM 355 O GLY A 24 -27.575 10.102 -28.612 1.00 53.12 O ATOM 0 H GLY A 24 -24.457 12.745 -28.259 1.00 53.32 H new ATOM 0 HA2 GLY A 24 -27.404 12.676 -28.302 1.00 12.02 H new ATOM 0 HA3 GLY A 24 -26.314 12.409 -29.648 1.00 12.02 H new ATOM 359 N GLY A 25 -25.450 10.133 -27.873 1.00 31.01 N ATOM 360 CA GLY A 25 -25.426 8.705 -27.620 1.00 40.15 C ATOM 361 C GLY A 25 -26.166 8.327 -26.352 1.00 62.15 C ATOM 362 O GLY A 25 -26.598 9.196 -25.595 1.00 70.10 O ATOM 0 H GLY A 25 -24.582 10.622 -27.653 1.00 31.01 H new ATOM 0 HA2 GLY A 25 -25.871 8.182 -28.466 1.00 40.15 H new ATOM 0 HA3 GLY A 25 -24.391 8.370 -27.547 1.00 40.15 H new ATOM 366 N LYS A 26 -26.314 7.028 -26.120 1.00 55.12 N ATOM 367 CA LYS A 26 -27.007 6.535 -24.935 1.00 43.22 C ATOM 368 C LYS A 26 -26.058 5.746 -24.038 1.00 14.45 C ATOM 369 O LYS A 26 -26.266 5.654 -22.828 1.00 41.42 O ATOM 370 CB LYS A 26 -28.192 5.656 -25.341 1.00 10.42 C ATOM 371 CG LYS A 26 -29.540 6.223 -24.929 1.00 61.32 C ATOM 372 CD LYS A 26 -30.396 6.561 -26.138 1.00 3.23 C ATOM 373 CE LYS A 26 -31.193 7.837 -25.916 1.00 61.21 C ATOM 374 NZ LYS A 26 -32.162 7.698 -24.794 1.00 60.54 N1+ ATOM 0 H LYS A 26 -25.963 6.296 -26.738 1.00 55.12 H new ATOM 0 HA LYS A 26 -27.375 7.395 -24.376 1.00 43.22 H new ATOM 0 HB2 LYS A 26 -28.179 5.521 -26.423 1.00 10.42 H new ATOM 0 HB3 LYS A 26 -28.071 4.669 -24.895 1.00 10.42 H new ATOM 0 HG2 LYS A 26 -30.063 5.501 -24.302 1.00 61.32 H new ATOM 0 HG3 LYS A 26 -29.390 7.119 -24.326 1.00 61.32 H new ATOM 0 HD2 LYS A 26 -29.759 6.676 -27.015 1.00 3.23 H new ATOM 0 HD3 LYS A 26 -31.078 5.736 -26.345 1.00 3.23 H new ATOM 0 HE2 LYS A 26 -30.510 8.660 -25.706 1.00 61.21 H new ATOM 0 HE3 LYS A 26 -31.730 8.094 -26.829 1.00 61.21 H new ATOM 0 HZ1 LYS A 26 -32.744 8.558 -24.729 1.00 60.54 H new ATOM 0 HZ2 LYS A 26 -32.776 6.876 -24.965 1.00 60.54 H new ATOM 0 HZ3 LYS A 26 -31.644 7.563 -23.903 1.00 60.54 H new ATOM 388 N LYS A 27 -25.017 5.180 -24.639 1.00 11.23 N ATOM 389 CA LYS A 27 -24.034 4.402 -23.894 1.00 14.01 C ATOM 390 C LYS A 27 -23.464 5.212 -22.735 1.00 75.23 C ATOM 391 O LYS A 27 -22.774 6.208 -22.944 1.00 64.43 O ATOM 392 CB LYS A 27 -22.903 3.951 -24.821 1.00 43.32 C ATOM 393 CG LYS A 27 -23.346 2.962 -25.885 1.00 71.30 C ATOM 394 CD LYS A 27 -22.169 2.181 -26.446 1.00 21.23 C ATOM 395 CE LYS A 27 -21.969 0.867 -25.708 1.00 42.44 C ATOM 396 NZ LYS A 27 -21.313 -0.158 -26.568 1.00 23.33 N1+ ATOM 0 H LYS A 27 -24.832 5.245 -25.640 1.00 11.23 H new ATOM 0 HA LYS A 27 -24.535 3.523 -23.487 1.00 14.01 H new ATOM 0 HB2 LYS A 27 -22.472 4.826 -25.307 1.00 43.32 H new ATOM 0 HB3 LYS A 27 -22.113 3.498 -24.222 1.00 43.32 H new ATOM 0 HG2 LYS A 27 -24.073 2.270 -25.460 1.00 71.30 H new ATOM 0 HG3 LYS A 27 -23.848 3.495 -26.692 1.00 71.30 H new ATOM 0 HD2 LYS A 27 -22.334 1.983 -27.505 1.00 21.23 H new ATOM 0 HD3 LYS A 27 -21.263 2.783 -26.372 1.00 21.23 H new ATOM 0 HE2 LYS A 27 -21.361 1.038 -24.819 1.00 42.44 H new ATOM 0 HE3 LYS A 27 -22.934 0.491 -25.367 1.00 42.44 H new ATOM 0 HZ1 LYS A 27 -21.194 -1.039 -26.029 1.00 23.33 H new ATOM 0 HZ2 LYS A 27 -21.905 -0.340 -27.404 1.00 23.33 H new ATOM 0 HZ3 LYS A 27 -20.381 0.189 -26.873 1.00 23.33 H new ATOM 410 N GLN A 28 -23.757 4.775 -21.514 1.00 20.52 N ATOM 411 CA GLN A 28 -23.271 5.461 -20.321 1.00 40.42 C ATOM 412 C GLN A 28 -21.802 5.137 -20.069 1.00 31.45 C ATOM 413 O GLN A 28 -21.226 4.268 -20.722 1.00 4.41 O ATOM 414 CB GLN A 28 -24.110 5.066 -19.104 1.00 4.14 C ATOM 415 CG GLN A 28 -25.607 5.078 -19.367 1.00 53.32 C ATOM 416 CD GLN A 28 -26.207 3.686 -19.378 1.00 73.11 C ATOM 417 OE1 GLN A 28 -26.718 3.225 -20.400 1.00 72.50 O ATOM 418 NE2 GLN A 28 -26.150 3.007 -18.238 1.00 63.05 N ATOM 0 H GLN A 28 -24.327 3.951 -21.325 1.00 20.52 H new ATOM 0 HA GLN A 28 -23.364 6.535 -20.484 1.00 40.42 H new ATOM 0 HB2 GLN A 28 -23.815 4.069 -18.778 1.00 4.14 H new ATOM 0 HB3 GLN A 28 -23.888 5.748 -18.283 1.00 4.14 H new ATOM 0 HG2 GLN A 28 -26.102 5.677 -18.603 1.00 53.32 H new ATOM 0 HG3 GLN A 28 -25.800 5.561 -20.325 1.00 53.32 H new ATOM 0 HE21 GLN A 28 -25.718 3.427 -17.415 1.00 63.05 H new ATOM 0 HE22 GLN A 28 -26.539 2.065 -18.185 1.00 63.05 H new ATOM 427 N TYR A 29 -21.203 5.844 -19.116 1.00 42.53 N ATOM 428 CA TYR A 29 -19.800 5.634 -18.779 1.00 63.50 C ATOM 429 C TYR A 29 -19.640 4.455 -17.824 1.00 40.32 C ATOM 430 O TYR A 29 -20.532 4.157 -17.030 1.00 55.25 O ATOM 431 CB TYR A 29 -19.211 6.898 -18.149 1.00 71.14 C ATOM 432 CG TYR A 29 -18.404 7.735 -19.114 1.00 5.13 C ATOM 433 CD1 TYR A 29 -17.112 7.368 -19.471 1.00 1.34 C ATOM 434 CD2 TYR A 29 -18.933 8.894 -19.670 1.00 51.04 C ATOM 435 CE1 TYR A 29 -16.370 8.131 -20.353 1.00 31.14 C ATOM 436 CE2 TYR A 29 -18.199 9.662 -20.553 1.00 72.22 C ATOM 437 CZ TYR A 29 -16.918 9.277 -20.891 1.00 73.03 C ATOM 438 OH TYR A 29 -16.184 10.040 -21.770 1.00 20.40 O ATOM 0 H TYR A 29 -21.667 6.566 -18.564 1.00 42.53 H new ATOM 0 HA TYR A 29 -19.261 5.409 -19.699 1.00 63.50 H new ATOM 0 HB2 TYR A 29 -20.022 7.504 -17.745 1.00 71.14 H new ATOM 0 HB3 TYR A 29 -18.577 6.614 -17.309 1.00 71.14 H new ATOM 0 HD1 TYR A 29 -16.680 6.471 -19.052 1.00 1.34 H new ATOM 0 HD2 TYR A 29 -19.935 9.199 -19.407 1.00 51.04 H new ATOM 0 HE1 TYR A 29 -15.367 7.832 -20.619 1.00 31.14 H new ATOM 0 HE2 TYR A 29 -18.626 10.559 -20.977 1.00 72.22 H new ATOM 0 HH TYR A 29 -16.775 10.676 -22.224 1.00 20.40 H new ATOM 448 N LYS A 30 -18.494 3.787 -17.907 1.00 73.34 N ATOM 449 CA LYS A 30 -18.212 2.640 -17.050 1.00 4.34 C ATOM 450 C LYS A 30 -16.716 2.511 -16.790 1.00 45.14 C ATOM 451 O LYS A 30 -15.904 3.195 -17.415 1.00 70.14 O ATOM 452 CB LYS A 30 -18.742 1.356 -17.692 1.00 14.01 C ATOM 453 CG LYS A 30 -19.928 0.754 -16.960 1.00 35.43 C ATOM 454 CD LYS A 30 -20.941 0.165 -17.927 1.00 71.42 C ATOM 455 CE LYS A 30 -22.368 0.457 -17.486 1.00 44.13 C ATOM 456 NZ LYS A 30 -22.758 1.866 -17.769 1.00 55.45 N1+ ATOM 0 H LYS A 30 -17.745 4.020 -18.559 1.00 73.34 H new ATOM 0 HA LYS A 30 -18.716 2.797 -16.096 1.00 4.34 H new ATOM 0 HB2 LYS A 30 -19.031 1.567 -18.722 1.00 14.01 H new ATOM 0 HB3 LYS A 30 -17.938 0.621 -17.731 1.00 14.01 H new ATOM 0 HG2 LYS A 30 -19.580 -0.023 -16.279 1.00 35.43 H new ATOM 0 HG3 LYS A 30 -20.408 1.520 -16.351 1.00 35.43 H new ATOM 0 HD2 LYS A 30 -20.776 0.575 -18.923 1.00 71.42 H new ATOM 0 HD3 LYS A 30 -20.794 -0.913 -17.998 1.00 71.42 H new ATOM 0 HE2 LYS A 30 -23.052 -0.219 -17.999 1.00 44.13 H new ATOM 0 HE3 LYS A 30 -22.466 0.260 -16.418 1.00 44.13 H new ATOM 0 HZ1 LYS A 30 -23.602 2.111 -17.212 1.00 55.45 H new ATOM 0 HZ2 LYS A 30 -21.976 2.501 -17.511 1.00 55.45 H new ATOM 0 HZ3 LYS A 30 -22.969 1.971 -18.782 1.00 55.45 H new ATOM 470 N LEU A 31 -16.355 1.629 -15.864 1.00 40.12 N ATOM 471 CA LEU A 31 -14.954 1.408 -15.522 1.00 24.23 C ATOM 472 C LEU A 31 -14.138 1.064 -16.763 1.00 51.14 C ATOM 473 O LEU A 31 -12.937 1.331 -16.823 1.00 41.55 O ATOM 474 CB LEU A 31 -14.831 0.286 -14.489 1.00 12.03 C ATOM 475 CG LEU A 31 -13.912 0.566 -13.300 1.00 35.33 C ATOM 476 CD1 LEU A 31 -14.670 1.294 -12.199 1.00 51.43 C ATOM 477 CD2 LEU A 31 -13.315 -0.730 -12.770 1.00 2.42 C ATOM 0 H LEU A 31 -17.013 1.055 -15.337 1.00 40.12 H new ATOM 0 HA LEU A 31 -14.560 2.331 -15.096 1.00 24.23 H new ATOM 0 HB2 LEU A 31 -15.827 0.060 -14.108 1.00 12.03 H new ATOM 0 HB3 LEU A 31 -14.473 -0.610 -14.996 1.00 12.03 H new ATOM 0 HG LEU A 31 -13.098 1.207 -13.638 1.00 35.33 H new ATOM 0 HD11 LEU A 31 -14.000 1.485 -11.361 1.00 51.43 H new ATOM 0 HD12 LEU A 31 -15.049 2.241 -12.583 1.00 51.43 H new ATOM 0 HD13 LEU A 31 -15.504 0.678 -11.863 1.00 51.43 H new ATOM 0 HD21 LEU A 31 -12.664 -0.511 -11.924 1.00 2.42 H new ATOM 0 HD22 LEU A 31 -14.117 -1.395 -12.448 1.00 2.42 H new ATOM 0 HD23 LEU A 31 -12.737 -1.213 -13.558 1.00 2.42 H new ATOM 489 N LYS A 32 -14.797 0.471 -17.753 1.00 11.23 N ATOM 490 CA LYS A 32 -14.134 0.093 -18.995 1.00 14.24 C ATOM 491 C LYS A 32 -13.374 1.275 -19.589 1.00 33.51 C ATOM 492 O LYS A 32 -12.315 1.105 -20.194 1.00 32.32 O ATOM 493 CB LYS A 32 -15.159 -0.427 -20.006 1.00 1.35 C ATOM 494 CG LYS A 32 -14.727 -1.702 -20.709 1.00 44.30 C ATOM 495 CD LYS A 32 -15.541 -1.947 -21.969 1.00 4.42 C ATOM 496 CE LYS A 32 -15.231 -0.913 -23.042 1.00 1.21 C ATOM 497 NZ LYS A 32 -15.629 -1.385 -24.398 1.00 10.03 N1+ ATOM 0 H LYS A 32 -15.790 0.242 -17.719 1.00 11.23 H new ATOM 0 HA LYS A 32 -13.420 -0.699 -18.769 1.00 14.24 H new ATOM 0 HB2 LYS A 32 -16.104 -0.607 -19.493 1.00 1.35 H new ATOM 0 HB3 LYS A 32 -15.344 0.345 -20.753 1.00 1.35 H new ATOM 0 HG2 LYS A 32 -13.669 -1.637 -20.965 1.00 44.30 H new ATOM 0 HG3 LYS A 32 -14.840 -2.548 -20.031 1.00 44.30 H new ATOM 0 HD2 LYS A 32 -15.329 -2.945 -22.352 1.00 4.42 H new ATOM 0 HD3 LYS A 32 -16.604 -1.916 -21.729 1.00 4.42 H new ATOM 0 HE2 LYS A 32 -15.753 0.016 -22.813 1.00 1.21 H new ATOM 0 HE3 LYS A 32 -14.164 -0.689 -23.034 1.00 1.21 H new ATOM 0 HZ1 LYS A 32 -15.402 -0.653 -25.101 1.00 10.03 H new ATOM 0 HZ2 LYS A 32 -15.112 -2.258 -24.627 1.00 10.03 H new ATOM 0 HZ3 LYS A 32 -16.652 -1.574 -24.413 1.00 10.03 H new ATOM 511 N HIS A 33 -13.920 2.474 -19.410 1.00 33.45 N ATOM 512 CA HIS A 33 -13.293 3.686 -19.926 1.00 15.21 C ATOM 513 C HIS A 33 -12.193 4.170 -18.984 1.00 14.34 C ATOM 514 O HIS A 33 -11.219 4.725 -19.492 1.00 63.21 O ATOM 515 CB HIS A 33 -14.338 4.786 -20.117 1.00 63.34 C ATOM 516 CG HIS A 33 -15.562 4.328 -20.850 1.00 22.34 C ATOM 517 ND1 HIS A 33 -16.815 4.297 -20.276 1.00 31.10 N ATOM 518 CD2 HIS A 33 -15.719 3.883 -22.118 1.00 35.02 C ATOM 519 CE1 HIS A 33 -17.691 3.852 -21.159 1.00 44.32 C ATOM 520 NE2 HIS A 33 -17.051 3.593 -22.286 1.00 5.13 N ATOM 0 H HIS A 33 -14.796 2.632 -18.911 1.00 33.45 H new ATOM 0 HA HIS A 33 -12.845 3.451 -20.891 1.00 15.21 H new ATOM 0 HB2 HIS A 33 -14.632 5.170 -19.140 1.00 63.34 H new ATOM 0 HB3 HIS A 33 -13.886 5.614 -20.663 1.00 63.34 H new ATOM 0 HD2 HIS A 33 -14.942 3.776 -22.860 1.00 35.02 H new ATOM 0 HE1 HIS A 33 -18.750 3.722 -20.989 1.00 44.32 H new ATOM 0 HE2 HIS A 33 -17.477 3.236 -23.141 1.00 5.13 H new ATOM 528 N ILE A 34 -12.319 3.982 -17.675 1.00 11.23 N ATOM 529 CA ILE A 34 -11.295 4.426 -16.739 1.00 20.53 C ATOM 530 C ILE A 34 -10.048 3.555 -16.833 1.00 60.15 C ATOM 531 O ILE A 34 -8.924 4.045 -16.719 1.00 51.00 O ATOM 532 CB ILE A 34 -11.813 4.406 -15.288 1.00 61.41 C ATOM 533 CG1 ILE A 34 -13.104 5.218 -15.173 1.00 32.31 C ATOM 534 CG2 ILE A 34 -10.753 4.950 -14.340 1.00 15.33 C ATOM 535 CD1 ILE A 34 -13.799 5.062 -13.838 1.00 74.21 C ATOM 0 H ILE A 34 -13.120 3.525 -17.239 1.00 11.23 H new ATOM 0 HA ILE A 34 -11.041 5.450 -17.012 1.00 20.53 H new ATOM 0 HB ILE A 34 -12.028 3.375 -15.009 1.00 61.41 H new ATOM 0 HG12 ILE A 34 -12.877 6.272 -15.334 1.00 32.31 H new ATOM 0 HG13 ILE A 34 -13.787 4.914 -15.967 1.00 32.31 H new ATOM 0 HG21 ILE A 34 -11.133 4.930 -13.319 1.00 15.33 H new ATOM 0 HG22 ILE A 34 -9.856 4.334 -14.405 1.00 15.33 H new ATOM 0 HG23 ILE A 34 -10.510 5.976 -14.616 1.00 15.33 H new ATOM 0 HD11 ILE A 34 -14.707 5.666 -13.828 1.00 74.21 H new ATOM 0 HD12 ILE A 34 -14.058 4.015 -13.683 1.00 74.21 H new ATOM 0 HD13 ILE A 34 -13.134 5.393 -13.041 1.00 74.21 H new ATOM 547 N VAL A 35 -10.252 2.258 -17.045 1.00 12.03 N ATOM 548 CA VAL A 35 -9.145 1.318 -17.159 1.00 41.13 C ATOM 549 C VAL A 35 -8.507 1.384 -18.542 1.00 14.23 C ATOM 550 O VAL A 35 -7.284 1.407 -18.673 1.00 61.11 O ATOM 551 CB VAL A 35 -9.604 -0.127 -16.886 1.00 11.42 C ATOM 552 CG1 VAL A 35 -8.440 -1.094 -17.032 1.00 43.20 C ATOM 553 CG2 VAL A 35 -10.227 -0.235 -15.502 1.00 13.54 C ATOM 0 H VAL A 35 -11.175 1.835 -17.141 1.00 12.03 H new ATOM 0 HA VAL A 35 -8.409 1.605 -16.408 1.00 41.13 H new ATOM 0 HB VAL A 35 -10.361 -0.394 -17.623 1.00 11.42 H new ATOM 0 HG11 VAL A 35 -8.784 -2.110 -16.835 1.00 43.20 H new ATOM 0 HG12 VAL A 35 -8.043 -1.035 -18.045 1.00 43.20 H new ATOM 0 HG13 VAL A 35 -7.658 -0.832 -16.320 1.00 43.20 H new ATOM 0 HG21 VAL A 35 -10.546 -1.262 -15.326 1.00 13.54 H new ATOM 0 HG22 VAL A 35 -9.493 0.051 -14.749 1.00 13.54 H new ATOM 0 HG23 VAL A 35 -11.090 0.428 -15.438 1.00 13.54 H new ATOM 563 N TRP A 36 -9.345 1.414 -19.573 1.00 21.43 N ATOM 564 CA TRP A 36 -8.863 1.479 -20.948 1.00 14.24 C ATOM 565 C TRP A 36 -7.892 2.639 -21.131 1.00 11.11 C ATOM 566 O TRP A 36 -6.829 2.482 -21.730 1.00 13.23 O ATOM 567 CB TRP A 36 -10.040 1.625 -21.915 1.00 64.15 C ATOM 568 CG TRP A 36 -9.616 1.866 -23.333 1.00 73.02 C ATOM 569 CD1 TRP A 36 -9.274 0.921 -24.258 1.00 53.12 C ATOM 570 CD2 TRP A 36 -9.488 3.134 -23.985 1.00 71.44 C ATOM 571 NE1 TRP A 36 -8.940 1.525 -25.446 1.00 12.04 N ATOM 572 CE2 TRP A 36 -9.065 2.882 -25.305 1.00 13.43 C ATOM 573 CE3 TRP A 36 -9.692 4.456 -23.583 1.00 43.42 C ATOM 574 CZ2 TRP A 36 -8.842 3.905 -26.222 1.00 64.11 C ATOM 575 CZ3 TRP A 36 -9.469 5.472 -24.495 1.00 55.24 C ATOM 576 CH2 TRP A 36 -9.048 5.191 -25.802 1.00 21.34 C ATOM 0 H TRP A 36 -10.361 1.394 -19.483 1.00 21.43 H new ATOM 0 HA TRP A 36 -8.335 0.551 -21.166 1.00 14.24 H new ATOM 0 HB2 TRP A 36 -10.649 0.722 -21.874 1.00 64.15 H new ATOM 0 HB3 TRP A 36 -10.671 2.451 -21.586 1.00 64.15 H new ATOM 0 HD1 TRP A 36 -9.267 -0.144 -24.081 1.00 53.12 H new ATOM 0 HE1 TRP A 36 -8.647 1.042 -26.295 1.00 12.04 H new ATOM 0 HE3 TRP A 36 -10.018 4.681 -22.578 1.00 43.42 H new ATOM 0 HZ2 TRP A 36 -8.518 3.691 -27.230 1.00 64.11 H new ATOM 0 HZ3 TRP A 36 -9.622 6.498 -24.195 1.00 55.24 H new ATOM 0 HH2 TRP A 36 -8.883 6.006 -26.491 1.00 21.34 H new ATOM 587 N ALA A 37 -8.263 3.805 -20.610 1.00 74.21 N ATOM 588 CA ALA A 37 -7.423 4.991 -20.715 1.00 53.13 C ATOM 589 C ALA A 37 -6.166 4.850 -19.862 1.00 10.30 C ATOM 590 O ALA A 37 -5.141 5.471 -20.143 1.00 33.32 O ATOM 591 CB ALA A 37 -8.205 6.230 -20.304 1.00 51.31 C ATOM 0 H ALA A 37 -9.140 3.953 -20.111 1.00 74.21 H new ATOM 0 HA ALA A 37 -7.115 5.097 -21.755 1.00 53.13 H new ATOM 0 HB1 ALA A 37 -7.565 7.108 -20.387 1.00 51.31 H new ATOM 0 HB2 ALA A 37 -9.070 6.348 -20.957 1.00 51.31 H new ATOM 0 HB3 ALA A 37 -8.541 6.123 -19.273 1.00 51.31 H new ATOM 597 N SER A 38 -6.253 4.029 -18.820 1.00 63.04 N ATOM 598 CA SER A 38 -5.124 3.810 -17.924 1.00 25.24 C ATOM 599 C SER A 38 -4.003 3.058 -18.635 1.00 2.44 C ATOM 600 O SER A 38 -2.827 3.390 -18.487 1.00 52.33 O ATOM 601 CB SER A 38 -5.571 3.031 -16.686 1.00 51.35 C ATOM 602 OG SER A 38 -5.401 1.636 -16.872 1.00 11.44 O ATOM 0 H SER A 38 -7.093 3.505 -18.576 1.00 63.04 H new ATOM 0 HA SER A 38 -4.745 4.784 -17.614 1.00 25.24 H new ATOM 0 HB2 SER A 38 -4.996 3.358 -15.820 1.00 51.35 H new ATOM 0 HB3 SER A 38 -6.618 3.248 -16.474 1.00 51.35 H new ATOM 0 HG SER A 38 -6.129 1.289 -17.430 1.00 11.44 H new ATOM 608 N ARG A 39 -4.377 2.044 -19.408 1.00 34.11 N ATOM 609 CA ARG A 39 -3.406 1.243 -20.141 1.00 45.21 C ATOM 610 C ARG A 39 -2.858 2.016 -21.339 1.00 73.33 C ATOM 611 O ARG A 39 -1.742 1.765 -21.792 1.00 43.11 O ATOM 612 CB ARG A 39 -4.042 -0.065 -20.614 1.00 31.32 C ATOM 613 CG ARG A 39 -3.593 -1.283 -19.822 1.00 25.44 C ATOM 614 CD ARG A 39 -2.823 -2.261 -20.694 1.00 31.32 C ATOM 615 NE ARG A 39 -2.582 -3.530 -20.012 1.00 3.11 N ATOM 616 CZ ARG A 39 -1.898 -4.534 -20.549 1.00 35.42 C ATOM 617 NH1 ARG A 39 -1.390 -4.418 -21.767 1.00 60.14 N1+ ATOM 618 NH2 ARG A 39 -1.721 -5.657 -19.864 1.00 54.13 N ATOM 0 H ARG A 39 -5.347 1.758 -19.543 1.00 34.11 H new ATOM 0 HA ARG A 39 -2.580 1.014 -19.467 1.00 45.21 H new ATOM 0 HB2 ARG A 39 -5.126 0.023 -20.546 1.00 31.32 H new ATOM 0 HB3 ARG A 39 -3.800 -0.217 -21.666 1.00 31.32 H new ATOM 0 HG2 ARG A 39 -2.966 -0.966 -18.989 1.00 25.44 H new ATOM 0 HG3 ARG A 39 -4.463 -1.782 -19.395 1.00 25.44 H new ATOM 0 HD2 ARG A 39 -3.380 -2.443 -21.613 1.00 31.32 H new ATOM 0 HD3 ARG A 39 -1.870 -1.817 -20.982 1.00 31.32 H new ATOM 0 HE ARG A 39 -2.959 -3.652 -19.072 1.00 3.11 H new ATOM 0 HH11 ARG A 39 -1.524 -3.556 -22.295 1.00 60.14 H new ATOM 0 HH12 ARG A 39 -0.865 -5.191 -22.176 1.00 60.14 H new ATOM 0 HH21 ARG A 39 -2.110 -5.749 -18.926 1.00 54.13 H new ATOM 0 HH22 ARG A 39 -1.196 -6.428 -20.276 1.00 54.13 H new ATOM 632 N GLU A 40 -3.651 2.954 -21.844 1.00 10.12 N ATOM 633 CA GLU A 40 -3.246 3.761 -22.989 1.00 60.03 C ATOM 634 C GLU A 40 -2.374 4.933 -22.547 1.00 53.10 C ATOM 635 O GLU A 40 -1.559 5.441 -23.319 1.00 31.23 O ATOM 636 CB GLU A 40 -4.476 4.280 -23.737 1.00 33.12 C ATOM 637 CG GLU A 40 -4.303 4.309 -25.247 1.00 33.54 C ATOM 638 CD GLU A 40 -4.368 2.928 -25.867 1.00 50.22 C ATOM 639 OE1 GLU A 40 -5.354 2.206 -25.611 1.00 40.11 O1- ATOM 640 OE2 GLU A 40 -3.431 2.568 -26.611 1.00 4.10 O ATOM 0 H GLU A 40 -4.578 3.174 -21.479 1.00 10.12 H new ATOM 0 HA GLU A 40 -2.663 3.128 -23.659 1.00 60.03 H new ATOM 0 HB2 GLU A 40 -5.333 3.653 -23.490 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -4.706 5.286 -23.387 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -5.078 4.937 -25.686 1.00 33.54 H new ATOM 0 HG3 GLU A 40 -3.345 4.768 -25.491 1.00 33.54 H new ATOM 647 N LEU A 41 -2.551 5.358 -21.301 1.00 73.12 N ATOM 648 CA LEU A 41 -1.782 6.470 -20.755 1.00 71.45 C ATOM 649 C LEU A 41 -0.334 6.060 -20.506 1.00 62.24 C ATOM 650 O LEU A 41 0.597 6.748 -20.924 1.00 14.44 O ATOM 651 CB LEU A 41 -2.416 6.963 -19.453 1.00 63.55 C ATOM 652 CG LEU A 41 -3.380 8.143 -19.580 1.00 2.12 C ATOM 653 CD1 LEU A 41 -3.975 8.495 -18.226 1.00 62.21 C ATOM 654 CD2 LEU A 41 -2.672 9.348 -20.183 1.00 52.33 C ATOM 0 H LEU A 41 -3.221 4.949 -20.650 1.00 73.12 H new ATOM 0 HA LEU A 41 -1.790 7.279 -21.485 1.00 71.45 H new ATOM 0 HB2 LEU A 41 -2.951 6.131 -18.995 1.00 63.55 H new ATOM 0 HB3 LEU A 41 -1.617 7.245 -18.767 1.00 63.55 H new ATOM 0 HG LEU A 41 -4.192 7.853 -20.246 1.00 2.12 H new ATOM 0 HD11 LEU A 41 -4.658 9.337 -18.337 1.00 62.21 H new ATOM 0 HD12 LEU A 41 -4.518 7.636 -17.833 1.00 62.21 H new ATOM 0 HD13 LEU A 41 -3.175 8.765 -17.536 1.00 62.21 H new ATOM 0 HD21 LEU A 41 -3.373 10.178 -20.266 1.00 52.33 H new ATOM 0 HD22 LEU A 41 -1.839 9.639 -19.542 1.00 52.33 H new ATOM 0 HD23 LEU A 41 -2.295 9.091 -21.173 1.00 52.33 H new ATOM 666 N GLU A 42 -0.152 4.934 -19.823 1.00 74.01 N ATOM 667 CA GLU A 42 1.183 4.432 -19.521 1.00 61.34 C ATOM 668 C GLU A 42 2.005 4.268 -20.796 1.00 71.03 C ATOM 669 O GLU A 42 3.235 4.327 -20.766 1.00 32.25 O ATOM 670 CB GLU A 42 1.095 3.095 -18.782 1.00 70.22 C ATOM 671 CG GLU A 42 2.046 2.986 -17.603 1.00 32.53 C ATOM 672 CD GLU A 42 2.550 1.573 -17.387 1.00 22.22 C ATOM 673 OE1 GLU A 42 1.713 0.653 -17.280 1.00 34.11 O1- ATOM 674 OE2 GLU A 42 3.784 1.387 -17.326 1.00 30.22 O ATOM 0 H GLU A 42 -0.912 4.353 -19.469 1.00 74.01 H new ATOM 0 HA GLU A 42 1.680 5.161 -18.881 1.00 61.34 H new ATOM 0 HB2 GLU A 42 0.074 2.952 -18.428 1.00 70.22 H new ATOM 0 HB3 GLU A 42 1.306 2.288 -19.483 1.00 70.22 H new ATOM 0 HG2 GLU A 42 2.895 3.650 -17.764 1.00 32.53 H new ATOM 0 HG3 GLU A 42 1.540 3.329 -16.700 1.00 32.53 H new ATOM 681 N ARG A 43 1.317 4.061 -21.913 1.00 4.03 N ATOM 682 CA ARG A 43 1.982 3.887 -23.199 1.00 44.10 C ATOM 683 C ARG A 43 2.578 5.205 -23.685 1.00 52.51 C ATOM 684 O ARG A 43 3.557 5.217 -24.433 1.00 24.13 O ATOM 685 CB ARG A 43 0.998 3.346 -24.238 1.00 73.41 C ATOM 686 CG ARG A 43 1.657 2.923 -25.539 1.00 44.33 C ATOM 687 CD ARG A 43 1.686 4.063 -26.545 1.00 55.51 C ATOM 688 NE ARG A 43 1.014 3.709 -27.794 1.00 61.33 N ATOM 689 CZ ARG A 43 1.574 2.970 -28.745 1.00 41.25 C ATOM 690 NH1 ARG A 43 2.808 2.509 -28.592 1.00 73.12 N1+ ATOM 691 NH2 ARG A 43 0.899 2.690 -29.852 1.00 50.15 N ATOM 0 H ARG A 43 0.299 4.010 -21.954 1.00 4.03 H new ATOM 0 HA ARG A 43 2.791 3.169 -23.067 1.00 44.10 H new ATOM 0 HB2 ARG A 43 0.469 2.492 -23.815 1.00 73.41 H new ATOM 0 HB3 ARG A 43 0.251 4.111 -24.451 1.00 73.41 H new ATOM 0 HG2 ARG A 43 2.674 2.586 -25.340 1.00 44.33 H new ATOM 0 HG3 ARG A 43 1.118 2.076 -25.963 1.00 44.33 H new ATOM 0 HD2 ARG A 43 1.207 4.941 -26.112 1.00 55.51 H new ATOM 0 HD3 ARG A 43 2.720 4.335 -26.755 1.00 55.51 H new ATOM 0 HE ARG A 43 0.064 4.048 -27.943 1.00 61.33 H new ATOM 0 HH11 ARG A 43 3.330 2.722 -27.742 1.00 73.12 H new ATOM 0 HH12 ARG A 43 3.235 1.942 -29.324 1.00 73.12 H new ATOM 0 HH21 ARG A 43 -0.051 3.042 -29.973 1.00 50.15 H new ATOM 0 HH22 ARG A 43 1.330 2.122 -30.582 1.00 50.15 H new ATOM 705 N PHE A 44 1.980 6.312 -23.259 1.00 63.23 N ATOM 706 CA PHE A 44 2.451 7.635 -23.652 1.00 45.20 C ATOM 707 C PHE A 44 3.378 8.220 -22.590 1.00 5.33 C ATOM 708 O PHE A 44 3.475 9.438 -22.440 1.00 61.22 O ATOM 709 CB PHE A 44 1.265 8.574 -23.883 1.00 52.12 C ATOM 710 CG PHE A 44 0.319 8.093 -24.945 1.00 34.14 C ATOM 711 CD1 PHE A 44 0.780 7.781 -26.213 1.00 14.41 C ATOM 712 CD2 PHE A 44 -1.033 7.954 -24.676 1.00 73.32 C ATOM 713 CE1 PHE A 44 -0.089 7.339 -27.192 1.00 41.41 C ATOM 714 CE2 PHE A 44 -1.908 7.511 -25.651 1.00 21.32 C ATOM 715 CZ PHE A 44 -1.434 7.203 -26.911 1.00 32.42 C ATOM 0 H PHE A 44 1.168 6.320 -22.642 1.00 63.23 H new ATOM 0 HA PHE A 44 3.011 7.533 -24.582 1.00 45.20 H new ATOM 0 HB2 PHE A 44 0.718 8.693 -22.948 1.00 52.12 H new ATOM 0 HB3 PHE A 44 1.640 9.559 -24.161 1.00 52.12 H new ATOM 0 HD1 PHE A 44 1.831 7.884 -26.439 1.00 14.41 H new ATOM 0 HD2 PHE A 44 -1.408 8.195 -23.692 1.00 73.32 H new ATOM 0 HE1 PHE A 44 0.284 7.100 -28.177 1.00 41.41 H new ATOM 0 HE2 PHE A 44 -2.959 7.406 -25.428 1.00 21.32 H new ATOM 0 HZ PHE A 44 -2.114 6.856 -27.675 1.00 32.42 H new ATOM 725 N ALA A 45 4.057 7.344 -21.859 1.00 20.44 N ATOM 726 CA ALA A 45 4.978 7.773 -20.812 1.00 13.33 C ATOM 727 C ALA A 45 4.238 8.503 -19.696 1.00 65.42 C ATOM 728 O ALA A 45 4.838 9.258 -18.931 1.00 61.02 O ATOM 729 CB ALA A 45 6.064 8.662 -21.398 1.00 70.12 C ATOM 0 H ALA A 45 3.988 6.333 -21.971 1.00 20.44 H new ATOM 0 HA ALA A 45 5.443 6.885 -20.383 1.00 13.33 H new ATOM 0 HB1 ALA A 45 6.744 8.975 -20.606 1.00 70.12 H new ATOM 0 HB2 ALA A 45 6.619 8.108 -22.155 1.00 70.12 H new ATOM 0 HB3 ALA A 45 5.608 9.541 -21.853 1.00 70.12 H new ATOM 735 N VAL A 46 2.932 8.273 -19.609 1.00 35.12 N ATOM 736 CA VAL A 46 2.111 8.908 -18.585 1.00 31.31 C ATOM 737 C VAL A 46 1.482 7.871 -17.662 1.00 44.44 C ATOM 738 O VAL A 46 0.657 7.064 -18.088 1.00 2.55 O ATOM 739 CB VAL A 46 0.994 9.764 -19.213 1.00 5.11 C ATOM 740 CG1 VAL A 46 0.124 10.385 -18.131 1.00 63.04 C ATOM 741 CG2 VAL A 46 1.588 10.837 -20.112 1.00 0.24 C ATOM 0 H VAL A 46 2.420 7.652 -20.235 1.00 35.12 H new ATOM 0 HA VAL A 46 2.772 9.553 -18.005 1.00 31.31 H new ATOM 0 HB VAL A 46 0.365 9.117 -19.824 1.00 5.11 H new ATOM 0 HG11 VAL A 46 -0.659 10.986 -18.594 1.00 63.04 H new ATOM 0 HG12 VAL A 46 -0.330 9.596 -17.532 1.00 63.04 H new ATOM 0 HG13 VAL A 46 0.737 11.019 -17.491 1.00 63.04 H new ATOM 0 HG21 VAL A 46 0.785 11.432 -20.547 1.00 0.24 H new ATOM 0 HG22 VAL A 46 2.241 11.483 -19.525 1.00 0.24 H new ATOM 0 HG23 VAL A 46 2.164 10.366 -20.909 1.00 0.24 H new ATOM 751 N ASN A 47 1.879 7.898 -16.393 1.00 54.53 N ATOM 752 CA ASN A 47 1.355 6.959 -15.409 1.00 52.03 C ATOM 753 C ASN A 47 -0.150 7.139 -15.232 1.00 22.31 C ATOM 754 O ASN A 47 -0.679 8.249 -15.298 1.00 4.21 O ATOM 755 CB ASN A 47 2.063 7.147 -14.066 1.00 51.33 C ATOM 756 CG ASN A 47 3.571 7.027 -14.186 1.00 22.24 C ATOM 757 OD1 ASN A 47 4.081 6.175 -14.912 1.00 15.22 O ATOM 758 ND2 ASN A 47 4.290 7.884 -13.471 1.00 22.15 N ATOM 0 H ASN A 47 2.561 8.560 -16.023 1.00 54.53 H new ATOM 0 HA ASN A 47 1.542 5.949 -15.773 1.00 52.03 H new ATOM 0 HB2 ASN A 47 1.810 8.126 -13.659 1.00 51.33 H new ATOM 0 HB3 ASN A 47 1.697 6.403 -13.358 1.00 51.33 H new ATOM 0 HD21 ASN A 47 5.309 7.852 -13.510 1.00 22.15 H new ATOM 0 HD22 ASN A 47 3.824 8.574 -12.882 1.00 22.15 H new ATOM 765 N PRO A 48 -0.857 6.024 -15.001 1.00 53.23 N ATOM 766 CA PRO A 48 -2.311 6.032 -14.809 1.00 40.13 C ATOM 767 C PRO A 48 -2.716 6.679 -13.489 1.00 0.22 C ATOM 768 O PRO A 48 -3.892 6.960 -13.261 1.00 13.14 O ATOM 769 CB PRO A 48 -2.678 4.546 -14.812 1.00 42.25 C ATOM 770 CG PRO A 48 -1.436 3.848 -14.377 1.00 23.12 C ATOM 771 CD PRO A 48 -0.292 4.666 -14.910 1.00 4.42 C ATOM 0 HA PRO A 48 -2.821 6.612 -15.578 1.00 40.13 H new ATOM 0 HB2 PRO A 48 -3.506 4.341 -14.133 1.00 42.25 H new ATOM 0 HB3 PRO A 48 -2.990 4.217 -15.803 1.00 42.25 H new ATOM 0 HG2 PRO A 48 -1.390 3.774 -13.290 1.00 23.12 H new ATOM 0 HG3 PRO A 48 -1.403 2.831 -14.767 1.00 23.12 H new ATOM 0 HD2 PRO A 48 0.570 4.633 -14.244 1.00 4.42 H new ATOM 0 HD3 PRO A 48 0.042 4.304 -15.882 1.00 4.42 H new ATOM 779 N GLY A 49 -1.735 6.914 -12.624 1.00 50.12 N ATOM 780 CA GLY A 49 -2.011 7.527 -11.337 1.00 53.33 C ATOM 781 C GLY A 49 -2.482 8.961 -11.468 1.00 61.21 C ATOM 782 O GLY A 49 -3.030 9.531 -10.523 1.00 44.41 O ATOM 0 H GLY A 49 -0.754 6.691 -12.791 1.00 50.12 H new ATOM 0 HA2 GLY A 49 -2.771 6.944 -10.816 1.00 53.33 H new ATOM 0 HA3 GLY A 49 -1.111 7.498 -10.724 1.00 53.33 H new ATOM 786 N LEU A 50 -2.266 9.549 -12.640 1.00 51.21 N ATOM 787 CA LEU A 50 -2.670 10.928 -12.890 1.00 54.22 C ATOM 788 C LEU A 50 -4.178 11.022 -13.110 1.00 65.44 C ATOM 789 O LEU A 50 -4.782 12.074 -12.895 1.00 55.32 O ATOM 790 CB LEU A 50 -1.931 11.483 -14.108 1.00 1.53 C ATOM 791 CG LEU A 50 -0.409 11.329 -14.098 1.00 54.22 C ATOM 792 CD1 LEU A 50 0.200 11.954 -15.343 1.00 13.43 C ATOM 793 CD2 LEU A 50 0.182 11.952 -12.842 1.00 75.05 C ATOM 0 H LEU A 50 -1.813 9.092 -13.432 1.00 51.21 H new ATOM 0 HA LEU A 50 -2.411 11.522 -12.013 1.00 54.22 H new ATOM 0 HB2 LEU A 50 -2.320 10.991 -14.999 1.00 1.53 H new ATOM 0 HB3 LEU A 50 -2.168 12.543 -14.200 1.00 1.53 H new ATOM 0 HG LEU A 50 -0.171 10.265 -14.098 1.00 54.22 H new ATOM 0 HD11 LEU A 50 1.283 11.834 -15.318 1.00 13.43 H new ATOM 0 HD12 LEU A 50 -0.199 11.461 -16.230 1.00 13.43 H new ATOM 0 HD13 LEU A 50 -0.047 13.015 -15.376 1.00 13.43 H new ATOM 0 HD21 LEU A 50 1.265 11.833 -12.852 1.00 75.05 H new ATOM 0 HD22 LEU A 50 -0.066 13.013 -12.811 1.00 75.05 H new ATOM 0 HD23 LEU A 50 -0.229 11.457 -11.962 1.00 75.05 H new ATOM 805 N LEU A 51 -4.777 9.916 -13.536 1.00 34.31 N ATOM 806 CA LEU A 51 -6.215 9.873 -13.782 1.00 14.25 C ATOM 807 C LEU A 51 -6.996 10.099 -12.491 1.00 60.02 C ATOM 808 O LEU A 51 -8.142 10.546 -12.518 1.00 54.41 O ATOM 809 CB LEU A 51 -6.606 8.529 -14.400 1.00 75.31 C ATOM 810 CG LEU A 51 -6.236 8.333 -15.870 1.00 31.22 C ATOM 811 CD1 LEU A 51 -5.783 6.903 -16.120 1.00 13.32 C ATOM 812 CD2 LEU A 51 -7.413 8.686 -16.768 1.00 25.31 C ATOM 0 H LEU A 51 -4.291 9.038 -13.718 1.00 34.31 H new ATOM 0 HA LEU A 51 -6.464 10.673 -14.479 1.00 14.25 H new ATOM 0 HB2 LEU A 51 -6.137 7.735 -13.819 1.00 75.31 H new ATOM 0 HB3 LEU A 51 -7.684 8.405 -14.298 1.00 75.31 H new ATOM 0 HG LEU A 51 -5.409 9.002 -16.109 1.00 31.22 H new ATOM 0 HD11 LEU A 51 -5.524 6.782 -17.172 1.00 13.32 H new ATOM 0 HD12 LEU A 51 -4.911 6.685 -15.504 1.00 13.32 H new ATOM 0 HD13 LEU A 51 -6.589 6.216 -15.864 1.00 13.32 H new ATOM 0 HD21 LEU A 51 -7.131 8.541 -17.811 1.00 25.31 H new ATOM 0 HD22 LEU A 51 -8.260 8.043 -16.528 1.00 25.31 H new ATOM 0 HD23 LEU A 51 -7.692 9.728 -16.609 1.00 25.31 H new ATOM 824 N GLU A 52 -6.366 9.788 -11.362 1.00 42.50 N ATOM 825 CA GLU A 52 -7.002 9.959 -10.062 1.00 31.41 C ATOM 826 C GLU A 52 -6.554 11.261 -9.404 1.00 61.40 C ATOM 827 O GLU A 52 -6.594 11.399 -8.181 1.00 71.41 O ATOM 828 CB GLU A 52 -6.674 8.775 -9.150 1.00 24.43 C ATOM 829 CG GLU A 52 -5.198 8.660 -8.808 1.00 15.42 C ATOM 830 CD GLU A 52 -4.950 7.826 -7.567 1.00 4.22 C ATOM 831 OE1 GLU A 52 -5.201 8.331 -6.453 1.00 72.21 O1- ATOM 832 OE2 GLU A 52 -4.504 6.668 -7.710 1.00 12.30 O ATOM 0 H GLU A 52 -5.417 9.417 -11.322 1.00 42.50 H new ATOM 0 HA GLU A 52 -8.080 10.002 -10.216 1.00 31.41 H new ATOM 0 HB2 GLU A 52 -7.246 8.869 -8.227 1.00 24.43 H new ATOM 0 HB3 GLU A 52 -6.999 7.854 -9.634 1.00 24.43 H new ATOM 0 HG2 GLU A 52 -4.667 8.217 -9.651 1.00 15.42 H new ATOM 0 HG3 GLU A 52 -4.785 9.658 -8.659 1.00 15.42 H new ATOM 839 N THR A 53 -6.126 12.216 -10.225 1.00 20.11 N ATOM 840 CA THR A 53 -5.669 13.506 -9.725 1.00 71.52 C ATOM 841 C THR A 53 -6.243 14.651 -10.551 1.00 32.21 C ATOM 842 O THR A 53 -6.067 14.700 -11.768 1.00 13.35 O ATOM 843 CB THR A 53 -4.131 13.600 -9.736 1.00 11.53 C ATOM 844 OG1 THR A 53 -3.661 13.758 -11.079 1.00 11.44 O ATOM 845 CG2 THR A 53 -3.508 12.358 -9.119 1.00 71.21 C ATOM 0 H THR A 53 -6.087 12.119 -11.240 1.00 20.11 H new ATOM 0 HA THR A 53 -6.023 13.590 -8.698 1.00 71.52 H new ATOM 0 HB THR A 53 -3.837 14.466 -9.143 1.00 11.53 H new ATOM 0 HG1 THR A 53 -4.079 13.083 -11.653 1.00 11.44 H new ATOM 0 HG21 THR A 53 -2.422 12.448 -9.138 1.00 71.21 H new ATOM 0 HG22 THR A 53 -3.845 12.256 -8.088 1.00 71.21 H new ATOM 0 HG23 THR A 53 -3.809 11.479 -9.688 1.00 71.21 H new ATOM 853 N SER A 54 -6.931 15.571 -9.881 1.00 64.45 N ATOM 854 CA SER A 54 -7.533 16.715 -10.555 1.00 32.54 C ATOM 855 C SER A 54 -6.479 17.520 -11.309 1.00 75.13 C ATOM 856 O SER A 54 -6.793 18.233 -12.261 1.00 54.33 O ATOM 857 CB SER A 54 -8.247 17.613 -9.541 1.00 44.14 C ATOM 858 OG SER A 54 -9.092 18.546 -10.192 1.00 74.12 O ATOM 0 H SER A 54 -7.085 15.546 -8.873 1.00 64.45 H new ATOM 0 HA SER A 54 -8.261 16.339 -11.274 1.00 32.54 H new ATOM 0 HB2 SER A 54 -8.835 17.000 -8.858 1.00 44.14 H new ATOM 0 HB3 SER A 54 -7.510 18.144 -8.938 1.00 44.14 H new ATOM 0 HG SER A 54 -9.063 19.402 -9.716 1.00 74.12 H new ATOM 864 N GLU A 55 -5.229 17.398 -10.875 1.00 53.55 N ATOM 865 CA GLU A 55 -4.128 18.113 -11.510 1.00 1.23 C ATOM 866 C GLU A 55 -3.615 17.353 -12.729 1.00 61.13 C ATOM 867 O GLU A 55 -3.466 17.919 -13.811 1.00 43.11 O ATOM 868 CB GLU A 55 -2.988 18.329 -10.512 1.00 42.44 C ATOM 869 CG GLU A 55 -3.106 19.622 -9.723 1.00 41.55 C ATOM 870 CD GLU A 55 -1.832 19.966 -8.975 1.00 5.43 C ATOM 871 OE1 GLU A 55 -0.758 19.989 -9.611 1.00 11.21 O1- ATOM 872 OE2 GLU A 55 -1.911 20.215 -7.754 1.00 41.23 O ATOM 0 H GLU A 55 -4.953 16.812 -10.087 1.00 53.55 H new ATOM 0 HA GLU A 55 -4.501 19.083 -11.840 1.00 1.23 H new ATOM 0 HB2 GLU A 55 -2.962 17.490 -9.817 1.00 42.44 H new ATOM 0 HB3 GLU A 55 -2.040 18.327 -11.050 1.00 42.44 H new ATOM 0 HG2 GLU A 55 -3.355 20.437 -10.403 1.00 41.55 H new ATOM 0 HG3 GLU A 55 -3.928 19.536 -9.013 1.00 41.55 H new ATOM 879 N GLY A 56 -3.345 16.063 -12.545 1.00 24.01 N ATOM 880 CA GLY A 56 -2.851 15.246 -13.637 1.00 61.43 C ATOM 881 C GLY A 56 -3.722 15.341 -14.874 1.00 24.20 C ATOM 882 O GLY A 56 -3.218 15.489 -15.987 1.00 42.54 O ATOM 0 H GLY A 56 -3.460 15.571 -11.659 1.00 24.01 H new ATOM 0 HA2 GLY A 56 -1.836 15.555 -13.887 1.00 61.43 H new ATOM 0 HA3 GLY A 56 -2.798 14.207 -13.313 1.00 61.43 H new ATOM 886 N CYS A 57 -5.033 15.255 -14.679 1.00 0.11 N ATOM 887 CA CYS A 57 -5.977 15.330 -15.788 1.00 4.44 C ATOM 888 C CYS A 57 -5.717 16.568 -16.641 1.00 51.23 C ATOM 889 O CYS A 57 -5.734 16.502 -17.871 1.00 62.11 O ATOM 890 CB CYS A 57 -7.414 15.352 -15.263 1.00 41.12 C ATOM 891 SG CYS A 57 -8.329 13.821 -15.557 1.00 15.01 S ATOM 0 H CYS A 57 -5.466 15.133 -13.764 1.00 0.11 H new ATOM 0 HA CYS A 57 -5.838 14.446 -16.410 1.00 4.44 H new ATOM 0 HB2 CYS A 57 -7.395 15.552 -14.192 1.00 41.12 H new ATOM 0 HB3 CYS A 57 -7.948 16.178 -15.732 1.00 41.12 H new ATOM 0 HG CYS A 57 -9.213 14.016 -16.490 1.00 15.01 H new ATOM 897 N ARG A 58 -5.477 17.696 -15.981 1.00 64.23 N ATOM 898 CA ARG A 58 -5.215 18.949 -16.677 1.00 12.44 C ATOM 899 C ARG A 58 -3.993 18.824 -17.582 1.00 72.24 C ATOM 900 O ARG A 58 -4.015 19.255 -18.734 1.00 13.13 O ATOM 901 CB ARG A 58 -5.005 20.082 -15.672 1.00 4.20 C ATOM 902 CG ARG A 58 -5.378 21.453 -16.213 1.00 31.54 C ATOM 903 CD ARG A 58 -4.696 22.565 -15.430 1.00 63.14 C ATOM 904 NE ARG A 58 -3.746 23.309 -16.252 1.00 65.04 N ATOM 905 CZ ARG A 58 -2.934 24.244 -15.773 1.00 65.35 C ATOM 906 NH1 ARG A 58 -2.955 24.547 -14.481 1.00 42.32 N1+ ATOM 907 NH2 ARG A 58 -2.096 24.878 -16.584 1.00 60.41 N ATOM 0 H ARG A 58 -5.459 17.767 -14.964 1.00 64.23 H new ATOM 0 HA ARG A 58 -6.082 19.179 -17.296 1.00 12.44 H new ATOM 0 HB2 ARG A 58 -5.597 19.879 -14.780 1.00 4.20 H new ATOM 0 HB3 ARG A 58 -3.959 20.094 -15.364 1.00 4.20 H new ATOM 0 HG2 ARG A 58 -5.095 21.520 -17.264 1.00 31.54 H new ATOM 0 HG3 ARG A 58 -6.459 21.583 -16.165 1.00 31.54 H new ATOM 0 HD2 ARG A 58 -5.450 23.248 -15.039 1.00 63.14 H new ATOM 0 HD3 ARG A 58 -4.177 22.138 -14.572 1.00 63.14 H new ATOM 0 HE ARG A 58 -3.704 23.099 -17.249 1.00 65.04 H new ATOM 0 HH11 ARG A 58 -3.596 24.061 -13.854 1.00 42.32 H new ATOM 0 HH12 ARG A 58 -2.330 25.266 -14.115 1.00 42.32 H new ATOM 0 HH21 ARG A 58 -2.075 24.647 -17.577 1.00 60.41 H new ATOM 0 HH22 ARG A 58 -1.473 25.596 -16.214 1.00 60.41 H new ATOM 921 N GLN A 59 -2.929 18.230 -17.051 1.00 2.53 N ATOM 922 CA GLN A 59 -1.697 18.049 -17.811 1.00 31.12 C ATOM 923 C GLN A 59 -1.918 17.106 -18.988 1.00 11.31 C ATOM 924 O GLN A 59 -1.410 17.339 -20.086 1.00 12.44 O ATOM 925 CB GLN A 59 -0.590 17.505 -16.906 1.00 73.12 C ATOM 926 CG GLN A 59 0.286 18.587 -16.297 1.00 30.41 C ATOM 927 CD GLN A 59 0.157 18.663 -14.789 1.00 72.15 C ATOM 928 OE1 GLN A 59 1.083 18.313 -14.056 1.00 41.20 O ATOM 929 NE2 GLN A 59 -0.996 19.121 -14.315 1.00 23.32 N ATOM 0 H GLN A 59 -2.895 17.866 -16.099 1.00 2.53 H new ATOM 0 HA GLN A 59 -1.393 19.021 -18.200 1.00 31.12 H new ATOM 0 HB2 GLN A 59 -1.042 16.921 -16.104 1.00 73.12 H new ATOM 0 HB3 GLN A 59 0.036 16.824 -17.482 1.00 73.12 H new ATOM 0 HG2 GLN A 59 1.327 18.397 -16.560 1.00 30.41 H new ATOM 0 HG3 GLN A 59 0.019 19.551 -16.730 1.00 30.41 H new ATOM 0 HE21 GLN A 59 -1.737 19.400 -14.958 1.00 23.32 H new ATOM 0 HE22 GLN A 59 -1.141 19.194 -13.308 1.00 23.32 H new ATOM 938 N ILE A 60 -2.676 16.041 -18.753 1.00 12.41 N ATOM 939 CA ILE A 60 -2.964 15.064 -19.795 1.00 51.10 C ATOM 940 C ILE A 60 -3.799 15.680 -20.913 1.00 11.11 C ATOM 941 O ILE A 60 -3.603 15.375 -22.090 1.00 64.03 O ATOM 942 CB ILE A 60 -3.709 13.839 -19.229 1.00 24.11 C ATOM 943 CG1 ILE A 60 -2.881 13.177 -18.127 1.00 70.40 C ATOM 944 CG2 ILE A 60 -4.014 12.845 -20.339 1.00 3.10 C ATOM 945 CD1 ILE A 60 -3.688 12.264 -17.231 1.00 72.23 C ATOM 0 H ILE A 60 -3.102 15.833 -17.850 1.00 12.41 H new ATOM 0 HA ILE A 60 -2.004 14.742 -20.198 1.00 51.10 H new ATOM 0 HB ILE A 60 -4.653 14.173 -18.798 1.00 24.11 H new ATOM 0 HG12 ILE A 60 -2.074 12.604 -18.584 1.00 70.40 H new ATOM 0 HG13 ILE A 60 -2.416 13.952 -17.518 1.00 70.40 H new ATOM 0 HG21 ILE A 60 -4.540 11.986 -19.923 1.00 3.10 H new ATOM 0 HG22 ILE A 60 -4.639 13.323 -21.094 1.00 3.10 H new ATOM 0 HG23 ILE A 60 -3.082 12.513 -20.797 1.00 3.10 H new ATOM 0 HD11 ILE A 60 -3.036 11.829 -16.473 1.00 72.23 H new ATOM 0 HD12 ILE A 60 -4.478 12.836 -16.745 1.00 72.23 H new ATOM 0 HD13 ILE A 60 -4.132 11.467 -17.828 1.00 72.23 H new ATOM 957 N LEU A 61 -4.729 16.551 -20.537 1.00 63.42 N ATOM 958 CA LEU A 61 -5.593 17.213 -21.507 1.00 1.14 C ATOM 959 C LEU A 61 -4.825 18.277 -22.285 1.00 63.33 C ATOM 960 O LEU A 61 -5.132 18.558 -23.442 1.00 23.01 O ATOM 961 CB LEU A 61 -6.793 17.849 -20.801 1.00 1.42 C ATOM 962 CG LEU A 61 -7.765 16.880 -20.126 1.00 41.54 C ATOM 963 CD1 LEU A 61 -8.614 17.608 -19.096 1.00 71.20 C ATOM 964 CD2 LEU A 61 -8.646 16.200 -21.164 1.00 21.44 C ATOM 0 H LEU A 61 -4.904 16.815 -19.567 1.00 63.42 H new ATOM 0 HA LEU A 61 -5.949 16.461 -22.211 1.00 1.14 H new ATOM 0 HB2 LEU A 61 -6.420 18.542 -20.047 1.00 1.42 H new ATOM 0 HB3 LEU A 61 -7.348 18.439 -21.530 1.00 1.42 H new ATOM 0 HG LEU A 61 -7.186 16.113 -19.612 1.00 41.54 H new ATOM 0 HD11 LEU A 61 -9.300 16.903 -18.626 1.00 71.20 H new ATOM 0 HD12 LEU A 61 -7.967 18.047 -18.336 1.00 71.20 H new ATOM 0 HD13 LEU A 61 -9.184 18.397 -19.587 1.00 71.20 H new ATOM 0 HD21 LEU A 61 -9.331 15.514 -20.666 1.00 21.44 H new ATOM 0 HD22 LEU A 61 -9.217 16.954 -21.706 1.00 21.44 H new ATOM 0 HD23 LEU A 61 -8.021 15.645 -21.864 1.00 21.44 H new ATOM 976 N GLY A 62 -3.821 18.864 -21.639 1.00 23.24 N ATOM 977 CA GLY A 62 -3.023 19.890 -22.286 1.00 44.05 C ATOM 978 C GLY A 62 -2.252 19.358 -23.479 1.00 54.22 C ATOM 979 O GLY A 62 -1.998 20.088 -24.436 1.00 52.00 O ATOM 0 H GLY A 62 -3.547 18.648 -20.681 1.00 23.24 H new ATOM 0 HA2 GLY A 62 -3.674 20.702 -22.611 1.00 44.05 H new ATOM 0 HA3 GLY A 62 -2.324 20.312 -21.564 1.00 44.05 H new ATOM 983 N GLN A 63 -1.880 18.084 -23.421 1.00 61.24 N ATOM 984 CA GLN A 63 -1.133 17.456 -24.504 1.00 42.30 C ATOM 985 C GLN A 63 -2.074 16.935 -25.585 1.00 32.52 C ATOM 986 O GLN A 63 -1.693 16.816 -26.750 1.00 1.34 O ATOM 987 CB GLN A 63 -0.275 16.311 -23.964 1.00 23.23 C ATOM 988 CG GLN A 63 1.169 16.706 -23.698 1.00 63.40 C ATOM 989 CD GLN A 63 2.025 16.669 -24.948 1.00 54.20 C ATOM 990 OE1 GLN A 63 2.326 15.598 -25.477 1.00 41.31 O ATOM 991 NE2 GLN A 63 2.421 17.841 -25.430 1.00 14.33 N ATOM 0 H GLN A 63 -2.084 17.466 -22.635 1.00 61.24 H new ATOM 0 HA GLN A 63 -0.483 18.210 -24.947 1.00 42.30 H new ATOM 0 HB2 GLN A 63 -0.718 15.941 -23.039 1.00 23.23 H new ATOM 0 HB3 GLN A 63 -0.292 15.487 -24.678 1.00 23.23 H new ATOM 0 HG2 GLN A 63 1.195 17.710 -23.275 1.00 63.40 H new ATOM 0 HG3 GLN A 63 1.594 16.034 -22.952 1.00 63.40 H new ATOM 0 HE21 GLN A 63 2.148 18.704 -24.960 1.00 14.33 H new ATOM 0 HE22 GLN A 63 2.998 17.878 -26.270 1.00 14.33 H new ATOM 1000 N LEU A 64 -3.305 16.626 -25.191 1.00 4.33 N ATOM 1001 CA LEU A 64 -4.303 16.118 -26.127 1.00 60.55 C ATOM 1002 C LEU A 64 -5.016 17.263 -26.837 1.00 2.22 C ATOM 1003 O LEU A 64 -5.515 17.099 -27.950 1.00 13.50 O ATOM 1004 CB LEU A 64 -5.322 15.245 -25.392 1.00 64.24 C ATOM 1005 CG LEU A 64 -4.806 13.900 -24.878 1.00 42.24 C ATOM 1006 CD1 LEU A 64 -5.853 13.226 -24.005 1.00 53.10 C ATOM 1007 CD2 LEU A 64 -4.417 12.998 -26.041 1.00 23.23 C ATOM 0 H LEU A 64 -3.636 16.718 -24.231 1.00 4.33 H new ATOM 0 HA LEU A 64 -3.789 15.515 -26.876 1.00 60.55 H new ATOM 0 HB2 LEU A 64 -5.711 15.810 -24.545 1.00 64.24 H new ATOM 0 HB3 LEU A 64 -6.161 15.058 -26.062 1.00 64.24 H new ATOM 0 HG LEU A 64 -3.918 14.080 -24.272 1.00 42.24 H new ATOM 0 HD11 LEU A 64 -5.469 12.270 -23.648 1.00 53.10 H new ATOM 0 HD12 LEU A 64 -6.083 13.866 -23.153 1.00 53.10 H new ATOM 0 HD13 LEU A 64 -6.759 13.058 -24.587 1.00 53.10 H new ATOM 0 HD21 LEU A 64 -4.052 12.046 -25.657 1.00 23.23 H new ATOM 0 HD22 LEU A 64 -5.287 12.824 -26.674 1.00 23.23 H new ATOM 0 HD23 LEU A 64 -3.633 13.477 -26.627 1.00 23.23 H new ATOM 1019 N GLN A 65 -5.057 18.421 -26.188 1.00 4.24 N ATOM 1020 CA GLN A 65 -5.709 19.595 -26.760 1.00 43.31 C ATOM 1021 C GLN A 65 -5.192 19.872 -28.168 1.00 23.10 C ATOM 1022 O GLN A 65 -5.939 19.844 -29.146 1.00 64.04 O ATOM 1023 CB GLN A 65 -5.478 20.816 -25.869 1.00 3.44 C ATOM 1024 CG GLN A 65 -6.724 21.273 -25.129 1.00 21.41 C ATOM 1025 CD GLN A 65 -6.550 22.629 -24.473 1.00 1.12 C ATOM 1026 OE1 GLN A 65 -6.150 23.597 -25.120 1.00 14.25 O ATOM 1027 NE2 GLN A 65 -6.850 22.705 -23.181 1.00 64.13 N ATOM 0 H GLN A 65 -4.647 18.573 -25.266 1.00 4.24 H new ATOM 0 HA GLN A 65 -6.779 19.394 -26.819 1.00 43.31 H new ATOM 0 HB2 GLN A 65 -4.699 20.583 -25.143 1.00 3.44 H new ATOM 0 HB3 GLN A 65 -5.107 21.638 -26.482 1.00 3.44 H new ATOM 0 HG2 GLN A 65 -7.561 21.316 -25.826 1.00 21.41 H new ATOM 0 HG3 GLN A 65 -6.981 20.536 -24.368 1.00 21.41 H new ATOM 0 HE21 GLN A 65 -7.178 21.877 -22.684 1.00 64.13 H new ATOM 0 HE22 GLN A 65 -6.752 23.591 -22.686 1.00 64.13 H new ATOM 1036 N PRO A 66 -3.884 20.147 -28.276 1.00 61.33 N ATOM 1037 CA PRO A 66 -3.238 20.435 -29.560 1.00 71.22 C ATOM 1038 C PRO A 66 -3.152 19.203 -30.454 1.00 50.41 C ATOM 1039 O PRO A 66 -2.929 19.314 -31.660 1.00 20.42 O ATOM 1040 CB PRO A 66 -1.837 20.901 -29.156 1.00 71.03 C ATOM 1041 CG PRO A 66 -1.593 20.265 -27.830 1.00 0.34 C ATOM 1042 CD PRO A 66 -2.933 20.199 -27.151 1.00 53.22 C ATOM 0 HA PRO A 66 -3.795 21.170 -30.141 1.00 71.22 H new ATOM 0 HB2 PRO A 66 -1.091 20.591 -29.887 1.00 71.03 H new ATOM 0 HB3 PRO A 66 -1.785 21.988 -29.089 1.00 71.03 H new ATOM 0 HG2 PRO A 66 -1.165 19.269 -27.947 1.00 0.34 H new ATOM 0 HG3 PRO A 66 -0.885 20.849 -27.241 1.00 0.34 H new ATOM 0 HD2 PRO A 66 -3.017 19.319 -26.513 1.00 53.22 H new ATOM 0 HD3 PRO A 66 -3.106 21.070 -26.518 1.00 53.22 H new ATOM 1050 N SER A 67 -3.331 18.030 -29.856 1.00 72.44 N ATOM 1051 CA SER A 67 -3.270 16.776 -30.599 1.00 13.12 C ATOM 1052 C SER A 67 -4.606 16.480 -31.274 1.00 41.34 C ATOM 1053 O SER A 67 -4.659 15.797 -32.298 1.00 74.11 O ATOM 1054 CB SER A 67 -2.891 15.624 -29.666 1.00 5.21 C ATOM 1055 OG SER A 67 -2.119 14.649 -30.348 1.00 25.43 O ATOM 0 H SER A 67 -3.519 17.921 -28.859 1.00 72.44 H new ATOM 0 HA SER A 67 -2.506 16.876 -31.370 1.00 13.12 H new ATOM 0 HB2 SER A 67 -2.327 16.010 -28.817 1.00 5.21 H new ATOM 0 HB3 SER A 67 -3.794 15.163 -29.266 1.00 5.21 H new ATOM 0 HG SER A 67 -1.403 14.329 -29.760 1.00 25.43 H new ATOM 1061 N LEU A 68 -5.682 16.997 -30.693 1.00 2.44 N ATOM 1062 CA LEU A 68 -7.020 16.790 -31.239 1.00 71.22 C ATOM 1063 C LEU A 68 -7.076 17.184 -32.710 1.00 1.23 C ATOM 1064 O LEU A 68 -7.861 16.633 -33.481 1.00 34.51 O ATOM 1065 CB LEU A 68 -8.047 17.597 -30.442 1.00 44.41 C ATOM 1066 CG LEU A 68 -8.422 17.039 -29.070 1.00 62.14 C ATOM 1067 CD1 LEU A 68 -8.684 18.170 -28.087 1.00 24.23 C ATOM 1068 CD2 LEU A 68 -9.638 16.131 -29.177 1.00 14.34 C ATOM 0 H LEU A 68 -5.655 17.562 -29.844 1.00 2.44 H new ATOM 0 HA LEU A 68 -7.258 15.729 -31.159 1.00 71.22 H new ATOM 0 HB2 LEU A 68 -7.660 18.607 -30.307 1.00 44.41 H new ATOM 0 HB3 LEU A 68 -8.955 17.680 -31.038 1.00 44.41 H new ATOM 0 HG LEU A 68 -7.584 16.449 -28.698 1.00 62.14 H new ATOM 0 HD11 LEU A 68 -8.950 17.753 -27.115 1.00 24.23 H new ATOM 0 HD12 LEU A 68 -7.786 18.780 -27.987 1.00 24.23 H new ATOM 0 HD13 LEU A 68 -9.504 18.788 -28.453 1.00 24.23 H new ATOM 0 HD21 LEU A 68 -9.890 15.743 -28.190 1.00 14.34 H new ATOM 0 HD22 LEU A 68 -10.482 16.698 -29.571 1.00 14.34 H new ATOM 0 HD23 LEU A 68 -9.414 15.301 -29.847 1.00 14.34 H new ATOM 1080 N GLN A 69 -6.236 18.140 -33.094 1.00 42.45 N ATOM 1081 CA GLN A 69 -6.189 18.606 -34.475 1.00 45.33 C ATOM 1082 C GLN A 69 -5.905 17.452 -35.430 1.00 2.41 C ATOM 1083 O GLN A 69 -6.478 17.376 -36.517 1.00 3.52 O ATOM 1084 CB GLN A 69 -5.120 19.690 -34.633 1.00 14.41 C ATOM 1085 CG GLN A 69 -5.174 20.405 -35.974 1.00 32.44 C ATOM 1086 CD GLN A 69 -5.673 21.831 -35.854 1.00 33.04 C ATOM 1087 OE1 GLN A 69 -4.948 22.721 -35.409 1.00 60.05 O ATOM 1088 NE2 GLN A 69 -6.920 22.058 -36.253 1.00 52.02 N ATOM 0 H GLN A 69 -5.579 18.607 -32.469 1.00 42.45 H new ATOM 0 HA GLN A 69 -7.163 19.027 -34.723 1.00 45.33 H new ATOM 0 HB2 GLN A 69 -5.236 20.423 -33.835 1.00 14.41 H new ATOM 0 HB3 GLN A 69 -4.135 19.239 -34.510 1.00 14.41 H new ATOM 0 HG2 GLN A 69 -4.180 20.408 -36.420 1.00 32.44 H new ATOM 0 HG3 GLN A 69 -5.825 19.852 -36.651 1.00 32.44 H new ATOM 0 HE21 GLN A 69 -7.487 21.292 -36.616 1.00 52.02 H new ATOM 0 HE22 GLN A 69 -7.310 22.999 -36.197 1.00 52.02 H new ATOM 1097 N THR A 70 -5.017 16.553 -35.018 1.00 72.32 N ATOM 1098 CA THR A 70 -4.655 15.403 -35.837 1.00 22.52 C ATOM 1099 C THR A 70 -4.630 14.124 -35.008 1.00 65.22 C ATOM 1100 O THR A 70 -3.728 13.299 -35.150 1.00 42.52 O ATOM 1101 CB THR A 70 -3.280 15.598 -36.503 1.00 1.31 C ATOM 1102 OG1 THR A 70 -2.311 15.987 -35.524 1.00 74.51 O ATOM 1103 CG2 THR A 70 -3.354 16.652 -37.597 1.00 42.51 C ATOM 0 H THR A 70 -4.535 16.599 -34.121 1.00 72.32 H new ATOM 0 HA THR A 70 -5.416 15.315 -36.612 1.00 22.52 H new ATOM 0 HB THR A 70 -2.981 14.651 -36.952 1.00 1.31 H new ATOM 0 HG1 THR A 70 -1.440 16.107 -35.956 1.00 74.51 H new ATOM 0 HG21 THR A 70 -2.371 16.773 -38.053 1.00 42.51 H new ATOM 0 HG22 THR A 70 -4.070 16.339 -38.356 1.00 42.51 H new ATOM 0 HG23 THR A 70 -3.673 17.601 -37.167 1.00 42.51 H new ATOM 1111 N GLY A 71 -5.625 13.966 -34.142 1.00 74.25 N ATOM 1112 CA GLY A 71 -5.698 12.782 -33.303 1.00 24.14 C ATOM 1113 C GLY A 71 -6.477 11.657 -33.953 1.00 10.22 C ATOM 1114 O GLY A 71 -7.237 11.883 -34.895 1.00 41.50 O ATOM 0 H GLY A 71 -6.382 14.636 -34.005 1.00 74.25 H new ATOM 0 HA2 GLY A 71 -4.689 12.438 -33.078 1.00 24.14 H new ATOM 0 HA3 GLY A 71 -6.166 13.042 -32.353 1.00 24.14 H new ATOM 1118 N SER A 72 -6.288 10.441 -33.451 1.00 0.23 N ATOM 1119 CA SER A 72 -6.976 9.275 -33.993 1.00 42.44 C ATOM 1120 C SER A 72 -8.139 8.864 -33.095 1.00 3.13 C ATOM 1121 O SER A 72 -8.481 9.567 -32.145 1.00 42.10 O ATOM 1122 CB SER A 72 -5.999 8.107 -34.148 1.00 33.34 C ATOM 1123 OG SER A 72 -5.884 7.376 -32.940 1.00 60.34 O ATOM 0 H SER A 72 -5.664 10.237 -32.670 1.00 0.23 H new ATOM 0 HA SER A 72 -7.373 9.541 -34.973 1.00 42.44 H new ATOM 0 HB2 SER A 72 -6.340 7.447 -34.945 1.00 33.34 H new ATOM 0 HB3 SER A 72 -5.020 8.484 -34.443 1.00 33.34 H new ATOM 0 HG SER A 72 -5.256 6.634 -33.065 1.00 60.34 H new ATOM 1129 N GLU A 73 -8.744 7.721 -33.406 1.00 65.34 N ATOM 1130 CA GLU A 73 -9.868 7.217 -32.628 1.00 13.12 C ATOM 1131 C GLU A 73 -9.486 7.056 -31.160 1.00 70.11 C ATOM 1132 O GLU A 73 -10.303 7.279 -30.267 1.00 54.10 O ATOM 1133 CB GLU A 73 -10.348 5.878 -33.192 1.00 21.35 C ATOM 1134 CG GLU A 73 -9.316 4.769 -33.087 1.00 62.14 C ATOM 1135 CD GLU A 73 -9.358 3.818 -34.268 1.00 23.13 C ATOM 1136 OE1 GLU A 73 -10.446 3.275 -34.553 1.00 65.41 O ATOM 1137 OE2 GLU A 73 -8.304 3.617 -34.906 1.00 4.44 O1- ATOM 0 H GLU A 73 -8.474 7.128 -34.191 1.00 65.34 H new ATOM 0 HA GLU A 73 -10.678 7.943 -32.696 1.00 13.12 H new ATOM 0 HB2 GLU A 73 -11.251 5.574 -32.663 1.00 21.35 H new ATOM 0 HB3 GLU A 73 -10.621 6.011 -34.239 1.00 21.35 H new ATOM 0 HG2 GLU A 73 -8.321 5.209 -33.015 1.00 62.14 H new ATOM 0 HG3 GLU A 73 -9.483 4.208 -32.168 1.00 62.14 H new ATOM 1144 N GLU A 74 -8.239 6.664 -30.919 1.00 30.24 N ATOM 1145 CA GLU A 74 -7.749 6.471 -29.559 1.00 32.11 C ATOM 1146 C GLU A 74 -7.515 7.812 -28.869 1.00 11.34 C ATOM 1147 O GLU A 74 -7.880 7.998 -27.707 1.00 15.11 O ATOM 1148 CB GLU A 74 -6.453 5.659 -29.571 1.00 62.21 C ATOM 1149 CG GLU A 74 -6.675 4.160 -29.680 1.00 63.54 C ATOM 1150 CD GLU A 74 -5.483 3.435 -30.275 1.00 51.24 C ATOM 1151 OE1 GLU A 74 -4.345 3.918 -30.098 1.00 52.35 O1- ATOM 1152 OE2 GLU A 74 -5.689 2.384 -30.918 1.00 12.54 O ATOM 0 H GLU A 74 -7.550 6.474 -31.647 1.00 30.24 H new ATOM 0 HA GLU A 74 -8.508 5.923 -29.001 1.00 32.11 H new ATOM 0 HB2 GLU A 74 -5.836 5.988 -30.407 1.00 62.21 H new ATOM 0 HB3 GLU A 74 -5.894 5.870 -28.659 1.00 62.21 H new ATOM 0 HG2 GLU A 74 -6.885 3.755 -28.690 1.00 63.54 H new ATOM 0 HG3 GLU A 74 -7.555 3.971 -30.295 1.00 63.54 H new ATOM 1159 N LEU A 75 -6.903 8.744 -29.592 1.00 35.11 N ATOM 1160 CA LEU A 75 -6.620 10.069 -29.050 1.00 60.23 C ATOM 1161 C LEU A 75 -7.909 10.792 -28.677 1.00 75.40 C ATOM 1162 O LEU A 75 -7.931 11.605 -27.754 1.00 23.24 O ATOM 1163 CB LEU A 75 -5.831 10.898 -30.065 1.00 1.35 C ATOM 1164 CG LEU A 75 -4.995 12.043 -29.493 1.00 34.33 C ATOM 1165 CD1 LEU A 75 -3.565 11.967 -30.006 1.00 31.33 C ATOM 1166 CD2 LEU A 75 -5.619 13.386 -29.842 1.00 42.44 C ATOM 0 H LEU A 75 -6.593 8.607 -30.554 1.00 35.11 H new ATOM 0 HA LEU A 75 -6.022 9.945 -28.147 1.00 60.23 H new ATOM 0 HB2 LEU A 75 -5.167 10.229 -30.613 1.00 1.35 H new ATOM 0 HB3 LEU A 75 -6.533 11.313 -30.788 1.00 1.35 H new ATOM 0 HG LEU A 75 -4.976 11.946 -28.407 1.00 34.33 H new ATOM 0 HD11 LEU A 75 -2.984 12.790 -29.589 1.00 31.33 H new ATOM 0 HD12 LEU A 75 -3.120 11.019 -29.704 1.00 31.33 H new ATOM 0 HD13 LEU A 75 -3.564 12.038 -31.094 1.00 31.33 H new ATOM 0 HD21 LEU A 75 -5.010 14.189 -29.427 1.00 42.44 H new ATOM 0 HD22 LEU A 75 -5.670 13.493 -30.926 1.00 42.44 H new ATOM 0 HD23 LEU A 75 -6.624 13.440 -29.424 1.00 42.44 H new ATOM 1178 N ARG A 76 -8.982 10.488 -29.400 1.00 23.24 N ATOM 1179 CA ARG A 76 -10.277 11.109 -29.144 1.00 70.12 C ATOM 1180 C ARG A 76 -10.908 10.545 -27.874 1.00 22.33 C ATOM 1181 O ARG A 76 -11.266 11.292 -26.963 1.00 51.20 O ATOM 1182 CB ARG A 76 -11.215 10.891 -30.332 1.00 4.50 C ATOM 1183 CG ARG A 76 -12.105 12.086 -30.632 1.00 12.31 C ATOM 1184 CD ARG A 76 -13.205 11.727 -31.619 1.00 72.11 C ATOM 1185 NE ARG A 76 -13.720 12.903 -32.316 1.00 35.53 N ATOM 1186 CZ ARG A 76 -14.528 12.837 -33.369 1.00 22.21 C ATOM 1187 NH1 ARG A 76 -14.911 11.660 -33.843 1.00 64.24 N1+ ATOM 1188 NH2 ARG A 76 -14.955 13.952 -33.949 1.00 65.55 N ATOM 0 H ARG A 76 -8.981 9.816 -30.167 1.00 23.24 H new ATOM 0 HA ARG A 76 -10.118 12.179 -29.007 1.00 70.12 H new ATOM 0 HB2 ARG A 76 -10.621 10.660 -31.216 1.00 4.50 H new ATOM 0 HB3 ARG A 76 -11.842 10.022 -30.134 1.00 4.50 H new ATOM 0 HG2 ARG A 76 -12.550 12.451 -29.706 1.00 12.31 H new ATOM 0 HG3 ARG A 76 -11.501 12.898 -31.038 1.00 12.31 H new ATOM 0 HD2 ARG A 76 -12.820 11.014 -32.348 1.00 72.11 H new ATOM 0 HD3 ARG A 76 -14.020 11.233 -31.090 1.00 72.11 H new ATOM 0 HE ARG A 76 -13.445 13.824 -31.976 1.00 35.53 H new ATOM 0 HH11 ARG A 76 -14.586 10.801 -33.399 1.00 64.24 H new ATOM 0 HH12 ARG A 76 -15.531 11.613 -34.651 1.00 64.24 H new ATOM 0 HH21 ARG A 76 -14.663 14.860 -33.586 1.00 65.55 H new ATOM 0 HH22 ARG A 76 -15.575 13.901 -34.757 1.00 65.55 H new ATOM 1202 N SER A 77 -11.042 9.224 -27.822 1.00 41.23 N ATOM 1203 CA SER A 77 -11.634 8.560 -26.666 1.00 25.24 C ATOM 1204 C SER A 77 -10.953 9.006 -25.376 1.00 64.21 C ATOM 1205 O SER A 77 -11.583 9.076 -24.319 1.00 1.42 O ATOM 1206 CB SER A 77 -11.528 7.042 -26.814 1.00 54.04 C ATOM 1207 OG SER A 77 -12.627 6.522 -27.541 1.00 1.51 O ATOM 0 H SER A 77 -10.749 8.592 -28.567 1.00 41.23 H new ATOM 0 HA SER A 77 -12.686 8.840 -26.616 1.00 25.24 H new ATOM 0 HB2 SER A 77 -10.598 6.787 -27.323 1.00 54.04 H new ATOM 0 HB3 SER A 77 -11.489 6.579 -25.828 1.00 54.04 H new ATOM 0 HG SER A 77 -12.534 5.550 -27.623 1.00 1.51 H new ATOM 1213 N LEU A 78 -9.662 9.307 -25.469 1.00 53.23 N ATOM 1214 CA LEU A 78 -8.894 9.746 -24.309 1.00 5.52 C ATOM 1215 C LEU A 78 -9.402 11.091 -23.797 1.00 42.34 C ATOM 1216 O LEU A 78 -9.785 11.219 -22.634 1.00 73.33 O ATOM 1217 CB LEU A 78 -7.410 9.851 -24.667 1.00 3.21 C ATOM 1218 CG LEU A 78 -6.516 8.719 -24.161 1.00 32.14 C ATOM 1219 CD1 LEU A 78 -6.605 8.603 -22.648 1.00 40.02 C ATOM 1220 CD2 LEU A 78 -6.898 7.402 -24.822 1.00 13.11 C ATOM 0 H LEU A 78 -9.126 9.255 -26.335 1.00 53.23 H new ATOM 0 HA LEU A 78 -9.020 9.006 -23.518 1.00 5.52 H new ATOM 0 HB2 LEU A 78 -7.321 9.900 -25.752 1.00 3.21 H new ATOM 0 HB3 LEU A 78 -7.028 10.793 -24.273 1.00 3.21 H new ATOM 0 HG LEU A 78 -5.485 8.951 -24.426 1.00 32.14 H new ATOM 0 HD11 LEU A 78 -5.962 7.792 -22.307 1.00 40.02 H new ATOM 0 HD12 LEU A 78 -6.282 9.539 -22.192 1.00 40.02 H new ATOM 0 HD13 LEU A 78 -7.635 8.395 -22.359 1.00 40.02 H new ATOM 0 HD21 LEU A 78 -6.251 6.607 -24.450 1.00 13.11 H new ATOM 0 HD22 LEU A 78 -7.936 7.165 -24.588 1.00 13.11 H new ATOM 0 HD23 LEU A 78 -6.781 7.490 -25.902 1.00 13.11 H new ATOM 1232 N TYR A 79 -9.404 12.089 -24.673 1.00 21.12 N ATOM 1233 CA TYR A 79 -9.865 13.423 -24.310 1.00 21.33 C ATOM 1234 C TYR A 79 -11.252 13.367 -23.676 1.00 62.02 C ATOM 1235 O TYR A 79 -11.597 14.200 -22.839 1.00 54.24 O ATOM 1236 CB TYR A 79 -9.891 14.330 -25.542 1.00 73.21 C ATOM 1237 CG TYR A 79 -9.714 15.796 -25.218 1.00 65.14 C ATOM 1238 CD1 TYR A 79 -8.533 16.266 -24.656 1.00 31.01 C ATOM 1239 CD2 TYR A 79 -10.726 16.712 -25.474 1.00 32.33 C ATOM 1240 CE1 TYR A 79 -8.366 17.605 -24.358 1.00 53.34 C ATOM 1241 CE2 TYR A 79 -10.568 18.053 -25.180 1.00 54.41 C ATOM 1242 CZ TYR A 79 -9.386 18.494 -24.622 1.00 12.32 C ATOM 1243 OH TYR A 79 -9.225 19.828 -24.328 1.00 11.11 O ATOM 0 H TYR A 79 -9.091 11.999 -25.640 1.00 21.12 H new ATOM 0 HA TYR A 79 -9.168 13.834 -23.580 1.00 21.33 H new ATOM 0 HB2 TYR A 79 -9.102 14.020 -26.228 1.00 73.21 H new ATOM 0 HB3 TYR A 79 -10.838 14.194 -26.063 1.00 73.21 H new ATOM 0 HD1 TYR A 79 -7.732 15.572 -24.448 1.00 31.01 H new ATOM 0 HD2 TYR A 79 -11.653 16.370 -25.911 1.00 32.33 H new ATOM 0 HE1 TYR A 79 -7.442 17.953 -23.921 1.00 53.34 H new ATOM 0 HE2 TYR A 79 -11.365 18.752 -25.386 1.00 54.41 H new ATOM 0 HH TYR A 79 -8.772 19.920 -23.464 1.00 11.11 H new ATOM 1253 N ASN A 80 -12.040 12.378 -24.082 1.00 32.23 N ATOM 1254 CA ASN A 80 -13.390 12.211 -23.555 1.00 23.54 C ATOM 1255 C ASN A 80 -13.353 11.722 -22.110 1.00 74.23 C ATOM 1256 O ASN A 80 -13.815 12.407 -21.198 1.00 33.21 O ATOM 1257 CB ASN A 80 -14.180 11.227 -24.419 1.00 70.31 C ATOM 1258 CG ASN A 80 -14.396 11.740 -25.829 1.00 22.05 C ATOM 1259 OD1 ASN A 80 -14.067 12.884 -26.143 1.00 34.44 O ATOM 1260 ND2 ASN A 80 -14.953 10.894 -26.688 1.00 75.03 N ATOM 0 H ASN A 80 -11.768 11.680 -24.774 1.00 32.23 H new ATOM 0 HA ASN A 80 -13.885 13.182 -23.579 1.00 23.54 H new ATOM 0 HB2 ASN A 80 -13.650 10.276 -24.459 1.00 70.31 H new ATOM 0 HB3 ASN A 80 -15.147 11.034 -23.954 1.00 70.31 H new ATOM 0 HD21 ASN A 80 -15.124 11.184 -27.651 1.00 75.03 H new ATOM 0 HD22 ASN A 80 -15.210 9.955 -26.385 1.00 75.03 H new ATOM 1267 N THR A 81 -12.799 10.530 -21.909 1.00 45.45 N ATOM 1268 CA THR A 81 -12.700 9.947 -20.577 1.00 33.35 C ATOM 1269 C THR A 81 -11.953 10.874 -19.625 1.00 72.24 C ATOM 1270 O THR A 81 -12.385 11.096 -18.494 1.00 31.41 O ATOM 1271 CB THR A 81 -11.988 8.582 -20.612 1.00 33.40 C ATOM 1272 OG1 THR A 81 -12.607 7.731 -21.583 1.00 5.32 O ATOM 1273 CG2 THR A 81 -12.031 7.914 -19.245 1.00 51.20 C ATOM 0 H THR A 81 -12.412 9.949 -22.653 1.00 45.45 H new ATOM 0 HA THR A 81 -13.719 9.807 -20.217 1.00 33.35 H new ATOM 0 HB THR A 81 -10.946 8.748 -20.886 1.00 33.40 H new ATOM 0 HG1 THR A 81 -12.297 7.978 -22.479 1.00 5.32 H new ATOM 0 HG21 THR A 81 -11.522 6.951 -19.294 1.00 51.20 H new ATOM 0 HG22 THR A 81 -11.534 8.551 -18.513 1.00 51.20 H new ATOM 0 HG23 THR A 81 -13.068 7.761 -18.947 1.00 51.20 H new ATOM 1281 N ILE A 82 -10.831 11.411 -20.090 1.00 74.01 N ATOM 1282 CA ILE A 82 -10.025 12.315 -19.279 1.00 45.53 C ATOM 1283 C ILE A 82 -10.798 13.583 -18.936 1.00 10.03 C ATOM 1284 O ILE A 82 -10.522 14.238 -17.931 1.00 3.04 O ATOM 1285 CB ILE A 82 -8.719 12.703 -19.998 1.00 1.04 C ATOM 1286 CG1 ILE A 82 -7.911 11.451 -20.345 1.00 74.35 C ATOM 1287 CG2 ILE A 82 -7.898 13.647 -19.133 1.00 71.03 C ATOM 1288 CD1 ILE A 82 -6.822 11.698 -21.366 1.00 53.23 C ATOM 0 H ILE A 82 -10.459 11.236 -21.024 1.00 74.01 H new ATOM 0 HA ILE A 82 -9.781 11.781 -18.360 1.00 45.53 H new ATOM 0 HB ILE A 82 -8.971 13.218 -20.925 1.00 1.04 H new ATOM 0 HG12 ILE A 82 -7.461 11.055 -19.435 1.00 74.35 H new ATOM 0 HG13 ILE A 82 -8.588 10.686 -20.725 1.00 74.35 H new ATOM 0 HG21 ILE A 82 -6.978 13.912 -19.655 1.00 71.03 H new ATOM 0 HG22 ILE A 82 -8.474 14.550 -18.932 1.00 71.03 H new ATOM 0 HG23 ILE A 82 -7.652 13.156 -18.191 1.00 71.03 H new ATOM 0 HD11 ILE A 82 -6.291 10.767 -21.564 1.00 53.23 H new ATOM 0 HD12 ILE A 82 -7.267 12.065 -22.291 1.00 53.23 H new ATOM 0 HD13 ILE A 82 -6.123 12.440 -20.980 1.00 53.23 H new ATOM 1300 N ALA A 83 -11.771 13.923 -19.776 1.00 41.10 N ATOM 1301 CA ALA A 83 -12.587 15.110 -19.560 1.00 34.50 C ATOM 1302 C ALA A 83 -13.649 14.859 -18.494 1.00 25.33 C ATOM 1303 O ALA A 83 -13.690 15.543 -17.470 1.00 43.24 O ATOM 1304 CB ALA A 83 -13.239 15.548 -20.863 1.00 64.52 C ATOM 0 H ALA A 83 -12.013 13.392 -20.613 1.00 41.10 H new ATOM 0 HA ALA A 83 -11.935 15.909 -19.207 1.00 34.50 H new ATOM 0 HB1 ALA A 83 -13.846 16.436 -20.686 1.00 64.52 H new ATOM 0 HB2 ALA A 83 -12.467 15.777 -21.597 1.00 64.52 H new ATOM 0 HB3 ALA A 83 -13.872 14.745 -21.241 1.00 64.52 H new ATOM 1310 N VAL A 84 -14.507 13.875 -18.740 1.00 13.35 N ATOM 1311 CA VAL A 84 -15.569 13.533 -17.801 1.00 21.43 C ATOM 1312 C VAL A 84 -15.014 13.322 -16.396 1.00 13.32 C ATOM 1313 O VAL A 84 -15.645 13.693 -15.406 1.00 61.12 O ATOM 1314 CB VAL A 84 -16.320 12.263 -18.240 1.00 14.33 C ATOM 1315 CG1 VAL A 84 -17.436 11.936 -17.260 1.00 0.55 C ATOM 1316 CG2 VAL A 84 -16.869 12.430 -19.650 1.00 30.04 C ATOM 0 H VAL A 84 -14.488 13.300 -19.582 1.00 13.35 H new ATOM 0 HA VAL A 84 -16.265 14.372 -17.792 1.00 21.43 H new ATOM 0 HB VAL A 84 -15.618 11.430 -18.244 1.00 14.33 H new ATOM 0 HG11 VAL A 84 -17.955 11.035 -17.587 1.00 0.55 H new ATOM 0 HG12 VAL A 84 -17.013 11.771 -16.269 1.00 0.55 H new ATOM 0 HG13 VAL A 84 -18.141 12.767 -17.220 1.00 0.55 H new ATOM 0 HG21 VAL A 84 -17.397 11.523 -19.945 1.00 30.04 H new ATOM 0 HG22 VAL A 84 -17.557 13.275 -19.675 1.00 30.04 H new ATOM 0 HG23 VAL A 84 -16.046 12.612 -20.342 1.00 30.04 H new ATOM 1326 N LEU A 85 -13.830 12.725 -16.318 1.00 14.31 N ATOM 1327 CA LEU A 85 -13.189 12.464 -15.035 1.00 60.12 C ATOM 1328 C LEU A 85 -12.691 13.760 -14.401 1.00 73.05 C ATOM 1329 O LEU A 85 -12.951 14.028 -13.228 1.00 0.31 O ATOM 1330 CB LEU A 85 -12.023 11.490 -15.214 1.00 3.12 C ATOM 1331 CG LEU A 85 -11.813 10.480 -14.086 1.00 73.24 C ATOM 1332 CD1 LEU A 85 -12.881 9.399 -14.132 1.00 73.13 C ATOM 1333 CD2 LEU A 85 -10.424 9.863 -14.173 1.00 13.23 C ATOM 0 H LEU A 85 -13.295 12.413 -17.128 1.00 14.31 H new ATOM 0 HA LEU A 85 -13.929 12.017 -14.371 1.00 60.12 H new ATOM 0 HB2 LEU A 85 -12.174 10.941 -16.143 1.00 3.12 H new ATOM 0 HB3 LEU A 85 -11.107 12.069 -15.331 1.00 3.12 H new ATOM 0 HG LEU A 85 -11.897 11.005 -13.135 1.00 73.24 H new ATOM 0 HD11 LEU A 85 -12.715 8.689 -13.322 1.00 73.13 H new ATOM 0 HD12 LEU A 85 -13.865 9.855 -14.020 1.00 73.13 H new ATOM 0 HD13 LEU A 85 -12.830 8.877 -15.088 1.00 73.13 H new ATOM 0 HD21 LEU A 85 -10.293 9.147 -13.362 1.00 13.23 H new ATOM 0 HD22 LEU A 85 -10.312 9.353 -15.130 1.00 13.23 H new ATOM 0 HD23 LEU A 85 -9.672 10.647 -14.090 1.00 13.23 H new ATOM 1345 N TYR A 86 -11.978 14.559 -15.186 1.00 22.50 N ATOM 1346 CA TYR A 86 -11.445 15.827 -14.701 1.00 45.54 C ATOM 1347 C TYR A 86 -12.541 16.670 -14.059 1.00 2.22 C ATOM 1348 O TYR A 86 -12.358 17.228 -12.976 1.00 44.51 O ATOM 1349 CB TYR A 86 -10.795 16.603 -15.849 1.00 50.24 C ATOM 1350 CG TYR A 86 -10.400 18.014 -15.479 1.00 51.25 C ATOM 1351 CD1 TYR A 86 -9.280 18.260 -14.694 1.00 40.22 C ATOM 1352 CD2 TYR A 86 -11.146 19.102 -15.914 1.00 12.22 C ATOM 1353 CE1 TYR A 86 -8.916 19.548 -14.353 1.00 11.34 C ATOM 1354 CE2 TYR A 86 -10.789 20.393 -15.579 1.00 22.14 C ATOM 1355 CZ TYR A 86 -9.674 20.612 -14.798 1.00 72.44 C ATOM 1356 OH TYR A 86 -9.313 21.896 -14.461 1.00 31.24 O ATOM 0 H TYR A 86 -11.756 14.352 -16.160 1.00 22.50 H new ATOM 0 HA TYR A 86 -10.691 15.609 -13.945 1.00 45.54 H new ATOM 0 HB2 TYR A 86 -9.910 16.063 -16.186 1.00 50.24 H new ATOM 0 HB3 TYR A 86 -11.487 16.637 -16.691 1.00 50.24 H new ATOM 0 HD1 TYR A 86 -8.684 17.430 -14.345 1.00 40.22 H new ATOM 0 HD2 TYR A 86 -12.021 18.935 -16.525 1.00 12.22 H new ATOM 0 HE1 TYR A 86 -8.043 19.722 -13.741 1.00 11.34 H new ATOM 0 HE2 TYR A 86 -11.380 21.227 -15.927 1.00 22.14 H new ATOM 0 HH TYR A 86 -9.950 22.529 -14.854 1.00 31.24 H new ATOM 1366 N CYS A 87 -13.682 16.758 -14.734 1.00 72.53 N ATOM 1367 CA CYS A 87 -14.811 17.532 -14.230 1.00 3.44 C ATOM 1368 C CYS A 87 -15.183 17.095 -12.818 1.00 31.41 C ATOM 1369 O CYS A 87 -15.257 17.915 -11.901 1.00 53.43 O ATOM 1370 CB CYS A 87 -16.016 17.379 -15.159 1.00 20.12 C ATOM 1371 SG CYS A 87 -16.168 18.692 -16.393 1.00 45.41 S ATOM 0 H CYS A 87 -13.850 16.303 -15.631 1.00 72.53 H new ATOM 0 HA CYS A 87 -14.516 18.581 -14.200 1.00 3.44 H new ATOM 0 HB2 CYS A 87 -15.947 16.420 -15.672 1.00 20.12 H new ATOM 0 HB3 CYS A 87 -16.924 17.354 -14.557 1.00 20.12 H new ATOM 0 HG CYS A 87 -15.519 18.355 -17.468 1.00 45.41 H new ATOM 1377 N VAL A 88 -15.419 15.798 -12.648 1.00 53.24 N ATOM 1378 CA VAL A 88 -15.785 15.251 -11.347 1.00 73.11 C ATOM 1379 C VAL A 88 -14.694 15.512 -10.315 1.00 73.23 C ATOM 1380 O VAL A 88 -14.980 15.780 -9.147 1.00 62.10 O ATOM 1381 CB VAL A 88 -16.048 13.735 -11.429 1.00 42.01 C ATOM 1382 CG1 VAL A 88 -16.486 13.195 -10.076 1.00 52.32 C ATOM 1383 CG2 VAL A 88 -17.089 13.432 -12.496 1.00 70.13 C ATOM 0 H VAL A 88 -15.363 15.106 -13.395 1.00 53.24 H new ATOM 0 HA VAL A 88 -16.701 15.754 -11.038 1.00 73.11 H new ATOM 0 HB VAL A 88 -15.119 13.237 -11.708 1.00 42.01 H new ATOM 0 HG11 VAL A 88 -16.667 12.123 -10.153 1.00 52.32 H new ATOM 0 HG12 VAL A 88 -15.703 13.378 -9.340 1.00 52.32 H new ATOM 0 HG13 VAL A 88 -17.402 13.696 -9.764 1.00 52.32 H new ATOM 0 HG21 VAL A 88 -17.262 12.357 -12.540 1.00 70.13 H new ATOM 0 HG22 VAL A 88 -18.021 13.940 -12.249 1.00 70.13 H new ATOM 0 HG23 VAL A 88 -16.730 13.782 -13.464 1.00 70.13 H new ATOM 1393 N HIS A 89 -13.442 15.432 -10.752 1.00 42.41 N ATOM 1394 CA HIS A 89 -12.305 15.660 -9.866 1.00 30.32 C ATOM 1395 C HIS A 89 -12.215 17.131 -9.468 1.00 61.03 C ATOM 1396 O HIS A 89 -11.800 17.385 -8.338 1.00 23.42 O ATOM 1397 CB HIS A 89 -11.006 15.224 -10.545 1.00 71.44 C ATOM 1398 CG HIS A 89 -10.886 13.739 -10.708 1.00 2.03 C ATOM 1399 ND1 HIS A 89 -11.647 12.839 -9.994 1.00 14.14 N ATOM 1400 CD2 HIS A 89 -10.088 12.999 -11.512 1.00 54.52 C ATOM 1401 CE1 HIS A 89 -11.323 11.609 -10.351 1.00 2.01 C ATOM 1402 NE2 HIS A 89 -10.378 11.679 -11.271 1.00 5.22 N ATOM 0 H HIS A 89 -13.188 15.211 -11.715 1.00 42.41 H new ATOM 0 HA HIS A 89 -12.452 15.065 -8.965 1.00 30.32 H new ATOM 0 HB2 HIS A 89 -10.942 15.696 -11.526 1.00 71.44 H new ATOM 0 HB3 HIS A 89 -10.160 15.587 -9.961 1.00 71.44 H new ATOM 0 HD1 HIS A 89 -12.351 13.084 -9.298 1.00 14.14 H new ATOM 0 HD2 HIS A 89 -9.358 13.377 -12.213 1.00 54.52 H new ATOM 0 HE1 HIS A 89 -11.757 10.701 -9.958 1.00 2.01 H new ATOM 0 HE2 HIS A 89 -9.936 10.882 -11.728 1.00 5.22 H new ATOM 1411 N GLN A 90 -12.579 18.071 -10.335 1.00 54.54 N ATOM 1412 CA GLN A 90 -12.509 19.487 -9.999 1.00 33.11 C ATOM 1413 C GLN A 90 -13.704 19.904 -9.148 1.00 23.43 C ATOM 1414 O GLN A 90 -13.575 20.111 -7.941 1.00 2.03 O ATOM 1415 CB GLN A 90 -12.456 20.333 -11.273 1.00 11.30 C ATOM 1416 CG GLN A 90 -11.078 20.905 -11.566 1.00 54.23 C ATOM 1417 CD GLN A 90 -10.633 21.917 -10.531 1.00 21.53 C ATOM 1418 OE1 GLN A 90 -9.875 21.595 -9.615 1.00 11.51 O ATOM 1419 NE2 GLN A 90 -11.105 23.152 -10.668 1.00 40.44 N ATOM 0 H GLN A 90 -12.925 17.877 -11.275 1.00 54.54 H new ATOM 0 HA GLN A 90 -11.599 19.653 -9.422 1.00 33.11 H new ATOM 0 HB2 GLN A 90 -12.774 19.723 -12.118 1.00 11.30 H new ATOM 0 HB3 GLN A 90 -13.169 21.152 -11.185 1.00 11.30 H new ATOM 0 HG2 GLN A 90 -10.353 20.092 -11.608 1.00 54.23 H new ATOM 0 HG3 GLN A 90 -11.086 21.376 -12.549 1.00 54.23 H new ATOM 0 HE21 GLN A 90 -11.731 23.376 -11.442 1.00 40.44 H new ATOM 0 HE22 GLN A 90 -10.841 23.876 -9.999 1.00 40.44 H new ATOM 1428 N ARG A 91 -14.864 20.026 -9.784 1.00 61.31 N ATOM 1429 CA ARG A 91 -16.081 20.420 -9.084 1.00 11.54 C ATOM 1430 C ARG A 91 -17.267 20.469 -10.043 1.00 53.20 C ATOM 1431 O ARG A 91 -18.160 21.305 -9.900 1.00 11.10 O ATOM 1432 CB ARG A 91 -15.893 21.785 -8.419 1.00 4.43 C ATOM 1433 CG ARG A 91 -16.488 21.870 -7.023 1.00 2.21 C ATOM 1434 CD ARG A 91 -16.291 23.250 -6.416 1.00 50.44 C ATOM 1435 NE ARG A 91 -17.542 23.810 -5.912 1.00 45.44 N ATOM 1436 CZ ARG A 91 -17.603 24.868 -5.112 1.00 31.34 C ATOM 1437 NH1 ARG A 91 -16.491 25.478 -4.726 1.00 43.11 N1+ ATOM 1438 NH2 ARG A 91 -18.780 25.320 -4.695 1.00 44.33 N ATOM 0 H ARG A 91 -14.987 19.858 -10.782 1.00 61.31 H new ATOM 0 HA ARG A 91 -16.286 19.674 -8.316 1.00 11.54 H new ATOM 0 HB2 ARG A 91 -14.828 22.010 -8.365 1.00 4.43 H new ATOM 0 HB3 ARG A 91 -16.349 22.551 -9.046 1.00 4.43 H new ATOM 0 HG2 ARG A 91 -17.552 21.639 -7.065 1.00 2.21 H new ATOM 0 HG3 ARG A 91 -16.024 21.120 -6.382 1.00 2.21 H new ATOM 0 HD2 ARG A 91 -15.568 23.188 -5.603 1.00 50.44 H new ATOM 0 HD3 ARG A 91 -15.871 23.919 -7.166 1.00 50.44 H new ATOM 0 HE ARG A 91 -18.416 23.364 -6.190 1.00 45.44 H new ATOM 0 HH11 ARG A 91 -15.584 25.135 -5.044 1.00 43.11 H new ATOM 0 HH12 ARG A 91 -16.542 26.290 -4.111 1.00 43.11 H new ATOM 0 HH21 ARG A 91 -19.638 24.854 -4.989 1.00 44.33 H new ATOM 0 HH22 ARG A 91 -18.826 26.133 -4.080 1.00 44.33 H new ATOM 1452 N ILE A 92 -17.269 19.566 -11.019 1.00 2.25 N ATOM 1453 CA ILE A 92 -18.346 19.507 -12.000 1.00 53.31 C ATOM 1454 C ILE A 92 -18.933 18.102 -12.086 1.00 32.05 C ATOM 1455 O ILE A 92 -18.202 17.111 -12.097 1.00 31.44 O ATOM 1456 CB ILE A 92 -17.859 19.933 -13.398 1.00 64.42 C ATOM 1457 CG1 ILE A 92 -17.296 21.355 -13.353 1.00 33.42 C ATOM 1458 CG2 ILE A 92 -18.994 19.838 -14.406 1.00 15.12 C ATOM 1459 CD1 ILE A 92 -15.883 21.463 -13.880 1.00 42.51 C ATOM 0 H ILE A 92 -16.538 18.867 -11.151 1.00 2.25 H new ATOM 0 HA ILE A 92 -19.116 20.202 -11.665 1.00 53.31 H new ATOM 0 HB ILE A 92 -17.064 19.257 -13.712 1.00 64.42 H new ATOM 0 HG12 ILE A 92 -17.943 22.012 -13.935 1.00 33.42 H new ATOM 0 HG13 ILE A 92 -17.320 21.714 -12.324 1.00 33.42 H new ATOM 0 HG21 ILE A 92 -18.634 20.142 -15.389 1.00 15.12 H new ATOM 0 HG22 ILE A 92 -19.353 18.810 -14.453 1.00 15.12 H new ATOM 0 HG23 ILE A 92 -19.809 20.494 -14.099 1.00 15.12 H new ATOM 0 HD11 ILE A 92 -15.550 22.499 -13.818 1.00 42.51 H new ATOM 0 HD12 ILE A 92 -15.223 20.833 -13.284 1.00 42.51 H new ATOM 0 HD13 ILE A 92 -15.856 21.135 -14.919 1.00 42.51 H new ATOM 1471 N ASP A 93 -20.259 18.024 -12.148 1.00 64.25 N ATOM 1472 CA ASP A 93 -20.945 16.740 -12.236 1.00 11.21 C ATOM 1473 C ASP A 93 -21.827 16.680 -13.479 1.00 53.51 C ATOM 1474 O ASP A 93 -23.033 16.453 -13.387 1.00 12.04 O ATOM 1475 CB ASP A 93 -21.790 16.503 -10.984 1.00 62.30 C ATOM 1476 CG ASP A 93 -20.953 16.090 -9.790 1.00 60.35 C ATOM 1477 OD1 ASP A 93 -19.817 15.612 -9.997 1.00 13.34 O ATOM 1478 OD2 ASP A 93 -21.432 16.246 -8.647 1.00 31.31 O1- ATOM 0 H ASP A 93 -20.879 18.834 -12.139 1.00 64.25 H new ATOM 0 HA ASP A 93 -20.191 15.957 -12.309 1.00 11.21 H new ATOM 0 HB2 ASP A 93 -22.339 17.413 -10.742 1.00 62.30 H new ATOM 0 HB3 ASP A 93 -22.530 15.730 -11.190 1.00 62.30 H new ATOM 1483 N VAL A 94 -21.216 16.886 -14.642 1.00 14.21 N ATOM 1484 CA VAL A 94 -21.946 16.855 -15.904 1.00 50.15 C ATOM 1485 C VAL A 94 -22.644 15.515 -16.102 1.00 54.43 C ATOM 1486 O VAL A 94 -22.586 14.638 -15.240 1.00 10.31 O ATOM 1487 CB VAL A 94 -21.010 17.116 -17.100 1.00 21.42 C ATOM 1488 CG1 VAL A 94 -20.349 18.480 -16.971 1.00 44.21 C ATOM 1489 CG2 VAL A 94 -19.967 16.015 -17.209 1.00 44.22 C ATOM 0 H VAL A 94 -20.218 17.076 -14.736 1.00 14.21 H new ATOM 0 HA VAL A 94 -22.693 17.647 -15.857 1.00 50.15 H new ATOM 0 HB VAL A 94 -21.604 17.112 -18.014 1.00 21.42 H new ATOM 0 HG11 VAL A 94 -19.691 18.648 -17.824 1.00 44.21 H new ATOM 0 HG12 VAL A 94 -21.115 19.255 -16.946 1.00 44.21 H new ATOM 0 HG13 VAL A 94 -19.766 18.516 -16.051 1.00 44.21 H new ATOM 0 HG21 VAL A 94 -19.314 16.215 -18.059 1.00 44.22 H new ATOM 0 HG22 VAL A 94 -19.374 15.984 -16.295 1.00 44.22 H new ATOM 0 HG23 VAL A 94 -20.464 15.056 -17.351 1.00 44.22 H new ATOM 1499 N LYS A 95 -23.304 15.361 -17.246 1.00 74.24 N ATOM 1500 CA LYS A 95 -24.013 14.126 -17.561 1.00 42.11 C ATOM 1501 C LYS A 95 -23.737 13.691 -18.996 1.00 4.22 C ATOM 1502 O LYS A 95 -24.550 13.003 -19.614 1.00 23.22 O ATOM 1503 CB LYS A 95 -25.518 14.311 -17.352 1.00 3.11 C ATOM 1504 CG LYS A 95 -25.887 14.767 -15.952 1.00 23.33 C ATOM 1505 CD LYS A 95 -27.279 14.301 -15.562 1.00 63.42 C ATOM 1506 CE LYS A 95 -27.501 14.406 -14.060 1.00 12.42 C ATOM 1507 NZ LYS A 95 -28.040 15.738 -13.670 1.00 3.21 N1+ ATOM 0 H LYS A 95 -23.362 16.077 -17.970 1.00 74.24 H new ATOM 0 HA LYS A 95 -23.652 13.347 -16.889 1.00 42.11 H new ATOM 0 HB2 LYS A 95 -25.889 15.040 -18.072 1.00 3.11 H new ATOM 0 HB3 LYS A 95 -26.024 13.369 -17.563 1.00 3.11 H new ATOM 0 HG2 LYS A 95 -25.160 14.379 -15.239 1.00 23.33 H new ATOM 0 HG3 LYS A 95 -25.838 15.855 -15.898 1.00 23.33 H new ATOM 0 HD2 LYS A 95 -28.024 14.901 -16.084 1.00 63.42 H new ATOM 0 HD3 LYS A 95 -27.421 13.268 -15.881 1.00 63.42 H new ATOM 0 HE2 LYS A 95 -28.193 13.627 -13.740 1.00 12.42 H new ATOM 0 HE3 LYS A 95 -26.559 14.229 -13.541 1.00 12.42 H new ATOM 0 HZ1 LYS A 95 -28.177 15.769 -12.640 1.00 3.21 H new ATOM 0 HZ2 LYS A 95 -27.369 16.480 -13.952 1.00 3.21 H new ATOM 0 HZ3 LYS A 95 -28.951 15.896 -14.145 1.00 3.21 H new ATOM 1521 N ASP A 96 -22.586 14.096 -19.522 1.00 32.43 N ATOM 1522 CA ASP A 96 -22.202 13.747 -20.884 1.00 34.24 C ATOM 1523 C ASP A 96 -20.816 14.291 -21.215 1.00 41.21 C ATOM 1524 O ASP A 96 -20.394 15.315 -20.677 1.00 61.11 O ATOM 1525 CB ASP A 96 -23.228 14.288 -21.881 1.00 62.12 C ATOM 1526 CG ASP A 96 -23.777 15.640 -21.470 1.00 45.10 C ATOM 1527 OD1 ASP A 96 -24.756 15.673 -20.696 1.00 61.34 O1- ATOM 1528 OD2 ASP A 96 -23.227 16.667 -21.923 1.00 10.31 O ATOM 0 H ASP A 96 -21.902 14.667 -19.025 1.00 32.43 H new ATOM 0 HA ASP A 96 -22.173 12.660 -20.959 1.00 34.24 H new ATOM 0 HB2 ASP A 96 -22.766 14.370 -22.865 1.00 62.12 H new ATOM 0 HB3 ASP A 96 -24.050 13.578 -21.973 1.00 62.12 H new ATOM 1533 N THR A 97 -20.111 13.599 -22.105 1.00 63.21 N ATOM 1534 CA THR A 97 -18.771 14.012 -22.505 1.00 10.22 C ATOM 1535 C THR A 97 -18.792 15.393 -23.151 1.00 41.50 C ATOM 1536 O THR A 97 -17.810 16.133 -23.090 1.00 73.51 O ATOM 1537 CB THR A 97 -18.145 13.006 -23.490 1.00 14.34 C ATOM 1538 OG1 THR A 97 -18.065 11.712 -22.883 1.00 43.22 O ATOM 1539 CG2 THR A 97 -16.756 13.459 -23.917 1.00 34.53 C ATOM 0 H THR A 97 -20.445 12.751 -22.562 1.00 63.21 H new ATOM 0 HA THR A 97 -18.166 14.047 -21.599 1.00 10.22 H new ATOM 0 HB THR A 97 -18.780 12.953 -24.374 1.00 14.34 H new ATOM 0 HG1 THR A 97 -18.049 11.024 -23.581 1.00 43.22 H new ATOM 0 HG21 THR A 97 -16.334 12.733 -24.612 1.00 34.53 H new ATOM 0 HG22 THR A 97 -16.824 14.431 -24.405 1.00 34.53 H new ATOM 0 HG23 THR A 97 -16.113 13.537 -23.040 1.00 34.53 H new ATOM 1547 N LYS A 98 -19.916 15.735 -23.770 1.00 75.02 N ATOM 1548 CA LYS A 98 -20.067 17.029 -24.426 1.00 71.14 C ATOM 1549 C LYS A 98 -20.004 18.165 -23.410 1.00 54.42 C ATOM 1550 O LYS A 98 -19.130 19.027 -23.484 1.00 54.03 O ATOM 1551 CB LYS A 98 -21.392 17.085 -25.190 1.00 31.21 C ATOM 1552 CG LYS A 98 -21.654 18.426 -25.852 1.00 22.15 C ATOM 1553 CD LYS A 98 -20.654 18.707 -26.961 1.00 53.25 C ATOM 1554 CE LYS A 98 -21.207 19.697 -27.974 1.00 64.42 C ATOM 1555 NZ LYS A 98 -20.491 19.615 -29.277 1.00 11.12 N1+ ATOM 0 H LYS A 98 -20.737 15.133 -23.832 1.00 75.02 H new ATOM 0 HA LYS A 98 -19.244 17.150 -25.130 1.00 71.14 H new ATOM 0 HB2 LYS A 98 -21.396 16.306 -25.952 1.00 31.21 H new ATOM 0 HB3 LYS A 98 -22.208 16.863 -24.503 1.00 31.21 H new ATOM 0 HG2 LYS A 98 -22.665 18.440 -26.260 1.00 22.15 H new ATOM 0 HG3 LYS A 98 -21.602 19.218 -25.105 1.00 22.15 H new ATOM 0 HD2 LYS A 98 -19.734 19.101 -26.531 1.00 53.25 H new ATOM 0 HD3 LYS A 98 -20.397 17.775 -27.465 1.00 53.25 H new ATOM 0 HE2 LYS A 98 -22.268 19.503 -28.130 1.00 64.42 H new ATOM 0 HE3 LYS A 98 -21.123 20.708 -27.576 1.00 64.42 H new ATOM 0 HZ1 LYS A 98 -20.897 20.305 -29.940 1.00 11.12 H new ATOM 0 HZ2 LYS A 98 -19.483 19.825 -29.133 1.00 11.12 H new ATOM 0 HZ3 LYS A 98 -20.592 18.657 -29.669 1.00 11.12 H new ATOM 1569 N GLU A 99 -20.936 18.156 -22.462 1.00 31.42 N ATOM 1570 CA GLU A 99 -20.985 19.186 -21.431 1.00 2.12 C ATOM 1571 C GLU A 99 -19.629 19.335 -20.745 1.00 54.21 C ATOM 1572 O GLU A 99 -19.121 20.444 -20.585 1.00 35.12 O ATOM 1573 CB GLU A 99 -22.060 18.851 -20.394 1.00 63.33 C ATOM 1574 CG GLU A 99 -22.229 19.920 -19.327 1.00 15.32 C ATOM 1575 CD GLU A 99 -23.250 20.973 -19.715 1.00 72.34 C ATOM 1576 OE1 GLU A 99 -22.935 21.810 -20.587 1.00 34.11 O ATOM 1577 OE2 GLU A 99 -24.361 20.960 -19.146 1.00 2.43 O1- ATOM 0 H GLU A 99 -21.666 17.448 -22.387 1.00 31.42 H new ATOM 0 HA GLU A 99 -21.236 20.132 -21.911 1.00 2.12 H new ATOM 0 HB2 GLU A 99 -23.012 18.705 -20.904 1.00 63.33 H new ATOM 0 HB3 GLU A 99 -21.807 17.906 -19.913 1.00 63.33 H new ATOM 0 HG2 GLU A 99 -22.534 19.450 -18.392 1.00 15.32 H new ATOM 0 HG3 GLU A 99 -21.268 20.401 -19.144 1.00 15.32 H new ATOM 1584 N ALA A 100 -19.050 18.208 -20.342 1.00 12.41 N ATOM 1585 CA ALA A 100 -17.754 18.211 -19.676 1.00 23.13 C ATOM 1586 C ALA A 100 -16.695 18.890 -20.537 1.00 60.11 C ATOM 1587 O ALA A 100 -15.772 19.523 -20.022 1.00 74.43 O ATOM 1588 CB ALA A 100 -17.331 16.790 -19.338 1.00 51.14 C ATOM 0 H ALA A 100 -19.459 17.282 -20.465 1.00 12.41 H new ATOM 0 HA ALA A 100 -17.851 18.779 -18.751 1.00 23.13 H new ATOM 0 HB1 ALA A 100 -16.361 16.808 -18.841 1.00 51.14 H new ATOM 0 HB2 ALA A 100 -18.070 16.338 -18.676 1.00 51.14 H new ATOM 0 HB3 ALA A 100 -17.258 16.204 -20.254 1.00 51.14 H new ATOM 1594 N LEU A 101 -16.833 18.756 -21.852 1.00 15.10 N ATOM 1595 CA LEU A 101 -15.889 19.357 -22.786 1.00 45.35 C ATOM 1596 C LEU A 101 -16.013 20.877 -22.787 1.00 35.12 C ATOM 1597 O LEU A 101 -15.016 21.592 -22.694 1.00 70.30 O ATOM 1598 CB LEU A 101 -16.120 18.813 -24.197 1.00 12.15 C ATOM 1599 CG LEU A 101 -14.864 18.478 -25.002 1.00 53.12 C ATOM 1600 CD1 LEU A 101 -13.976 19.704 -25.142 1.00 14.31 C ATOM 1601 CD2 LEU A 101 -14.101 17.336 -24.347 1.00 60.13 C ATOM 0 H LEU A 101 -17.590 18.236 -22.295 1.00 15.10 H new ATOM 0 HA LEU A 101 -14.882 19.095 -22.463 1.00 45.35 H new ATOM 0 HB2 LEU A 101 -16.730 17.913 -24.122 1.00 12.15 H new ATOM 0 HB3 LEU A 101 -16.701 19.546 -24.757 1.00 12.15 H new ATOM 0 HG LEU A 101 -15.169 18.161 -25.999 1.00 53.12 H new ATOM 0 HD11 LEU A 101 -13.087 19.446 -25.718 1.00 14.31 H new ATOM 0 HD12 LEU A 101 -14.524 20.494 -25.656 1.00 14.31 H new ATOM 0 HD13 LEU A 101 -13.679 20.053 -24.153 1.00 14.31 H new ATOM 0 HD21 LEU A 101 -13.210 17.110 -24.933 1.00 60.13 H new ATOM 0 HD22 LEU A 101 -13.808 17.626 -23.338 1.00 60.13 H new ATOM 0 HD23 LEU A 101 -14.738 16.453 -24.300 1.00 60.13 H new ATOM 1613 N ASP A 102 -17.246 21.363 -22.891 1.00 63.54 N ATOM 1614 CA ASP A 102 -17.503 22.798 -22.900 1.00 32.41 C ATOM 1615 C ASP A 102 -16.967 23.454 -21.630 1.00 10.24 C ATOM 1616 O ASP A 102 -16.452 24.572 -21.666 1.00 12.54 O ATOM 1617 CB ASP A 102 -19.002 23.068 -23.034 1.00 1.23 C ATOM 1618 CG ASP A 102 -19.300 24.509 -23.402 1.00 50.01 C ATOM 1619 OD1 ASP A 102 -19.088 25.395 -22.548 1.00 13.11 O1- ATOM 1620 OD2 ASP A 102 -19.746 24.750 -24.544 1.00 24.34 O ATOM 0 H ASP A 102 -18.082 20.784 -22.970 1.00 63.54 H new ATOM 0 HA ASP A 102 -16.986 23.230 -23.757 1.00 32.41 H new ATOM 0 HB2 ASP A 102 -19.421 22.408 -23.794 1.00 1.23 H new ATOM 0 HB3 ASP A 102 -19.497 22.826 -22.094 1.00 1.23 H new ATOM 1625 N LYS A 103 -17.092 22.753 -20.510 1.00 35.12 N ATOM 1626 CA LYS A 103 -16.621 23.265 -19.228 1.00 22.12 C ATOM 1627 C LYS A 103 -15.121 23.539 -19.270 1.00 72.25 C ATOM 1628 O LYS A 103 -14.619 24.409 -18.558 1.00 13.24 O ATOM 1629 CB LYS A 103 -16.938 22.271 -18.110 1.00 75.32 C ATOM 1630 CG LYS A 103 -17.883 22.821 -17.055 1.00 52.45 C ATOM 1631 CD LYS A 103 -19.331 22.745 -17.511 1.00 44.45 C ATOM 1632 CE LYS A 103 -20.064 24.053 -17.257 1.00 2.02 C ATOM 1633 NZ LYS A 103 -21.458 23.825 -16.787 1.00 20.22 N1+ ATOM 0 H LYS A 103 -17.516 21.827 -20.463 1.00 35.12 H new ATOM 0 HA LYS A 103 -17.139 24.203 -19.028 1.00 22.12 H new ATOM 0 HB2 LYS A 103 -17.377 21.374 -18.547 1.00 75.32 H new ATOM 0 HB3 LYS A 103 -16.007 21.969 -17.630 1.00 75.32 H new ATOM 0 HG2 LYS A 103 -17.762 22.260 -16.128 1.00 52.45 H new ATOM 0 HG3 LYS A 103 -17.623 23.857 -16.836 1.00 52.45 H new ATOM 0 HD2 LYS A 103 -19.367 22.507 -18.574 1.00 44.45 H new ATOM 0 HD3 LYS A 103 -19.837 21.935 -16.986 1.00 44.45 H new ATOM 0 HE2 LYS A 103 -19.521 24.635 -16.513 1.00 2.02 H new ATOM 0 HE3 LYS A 103 -20.082 24.643 -18.173 1.00 2.02 H new ATOM 0 HZ1 LYS A 103 -21.924 24.741 -16.625 1.00 20.22 H new ATOM 0 HZ2 LYS A 103 -21.984 23.291 -17.508 1.00 20.22 H new ATOM 0 HZ3 LYS A 103 -21.441 23.284 -15.899 1.00 20.22 H new ATOM 1647 N ILE A 104 -14.411 22.792 -20.109 1.00 74.15 N ATOM 1648 CA ILE A 104 -12.969 22.956 -20.244 1.00 14.32 C ATOM 1649 C ILE A 104 -12.630 23.916 -21.379 1.00 21.45 C ATOM 1650 O ILE A 104 -11.675 24.687 -21.288 1.00 11.23 O ATOM 1651 CB ILE A 104 -12.270 21.608 -20.502 1.00 14.11 C ATOM 1652 CG1 ILE A 104 -12.611 20.612 -19.392 1.00 22.40 C ATOM 1653 CG2 ILE A 104 -10.765 21.803 -20.605 1.00 74.23 C ATOM 1654 CD1 ILE A 104 -12.143 19.203 -19.679 1.00 42.22 C ATOM 0 H ILE A 104 -14.811 22.067 -20.705 1.00 74.15 H new ATOM 0 HA ILE A 104 -12.609 23.368 -19.301 1.00 14.32 H new ATOM 0 HB ILE A 104 -12.629 21.204 -21.449 1.00 14.11 H new ATOM 0 HG12 ILE A 104 -12.162 20.952 -18.459 1.00 22.40 H new ATOM 0 HG13 ILE A 104 -13.691 20.604 -19.241 1.00 22.40 H new ATOM 0 HG21 ILE A 104 -10.285 20.841 -20.787 1.00 74.23 H new ATOM 0 HG22 ILE A 104 -10.542 22.482 -21.428 1.00 74.23 H new ATOM 0 HG23 ILE A 104 -10.388 22.226 -19.674 1.00 74.23 H new ATOM 0 HD11 ILE A 104 -12.419 18.552 -18.850 1.00 42.22 H new ATOM 0 HD12 ILE A 104 -12.612 18.843 -20.595 1.00 42.22 H new ATOM 0 HD13 ILE A 104 -11.060 19.197 -19.800 1.00 42.22 H new ATOM 1666 N GLU A 105 -13.421 23.866 -22.447 1.00 73.34 N ATOM 1667 CA GLU A 105 -13.204 24.733 -23.599 1.00 33.43 C ATOM 1668 C GLU A 105 -13.443 26.195 -23.231 1.00 12.55 C ATOM 1669 O GLU A 105 -12.828 27.096 -23.800 1.00 44.53 O ATOM 1670 CB GLU A 105 -14.126 24.327 -24.750 1.00 0.40 C ATOM 1671 CG GLU A 105 -13.639 24.794 -26.112 1.00 1.33 C ATOM 1672 CD GLU A 105 -14.706 24.678 -27.184 1.00 11.50 C ATOM 1673 OE1 GLU A 105 -15.880 24.443 -26.831 1.00 61.11 O1- ATOM 1674 OE2 GLU A 105 -14.366 24.823 -28.377 1.00 62.51 O ATOM 0 H GLU A 105 -14.217 23.235 -22.538 1.00 73.34 H new ATOM 0 HA GLU A 105 -12.167 24.621 -23.917 1.00 33.43 H new ATOM 0 HB2 GLU A 105 -14.224 23.241 -24.761 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -15.121 24.735 -24.569 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -13.312 25.831 -26.041 1.00 1.33 H new ATOM 0 HG3 GLU A 105 -12.770 24.205 -26.405 1.00 1.33 H new ATOM 1681 N GLU A 106 -14.342 26.421 -22.279 1.00 72.25 N ATOM 1682 CA GLU A 106 -14.664 27.772 -21.837 1.00 23.04 C ATOM 1683 C GLU A 106 -13.452 28.435 -21.188 1.00 34.00 C ATOM 1684 O GLU A 106 -13.286 29.653 -21.259 1.00 34.12 O ATOM 1685 CB GLU A 106 -15.835 27.747 -20.853 1.00 62.45 C ATOM 1686 CG GLU A 106 -17.091 28.416 -21.383 1.00 22.53 C ATOM 1687 CD GLU A 106 -18.360 27.742 -20.897 1.00 1.21 C ATOM 1688 OE1 GLU A 106 -18.309 27.067 -19.848 1.00 44.31 O ATOM 1689 OE2 GLU A 106 -19.403 27.889 -21.567 1.00 73.34 O1- ATOM 0 H GLU A 106 -14.860 25.685 -21.799 1.00 72.25 H new ATOM 0 HA GLU A 106 -14.950 28.355 -22.713 1.00 23.04 H new ATOM 0 HB2 GLU A 106 -16.064 26.712 -20.601 1.00 62.45 H new ATOM 0 HB3 GLU A 106 -15.533 28.241 -19.929 1.00 62.45 H new ATOM 0 HG2 GLU A 106 -17.099 29.462 -21.075 1.00 22.53 H new ATOM 0 HG3 GLU A 106 -17.072 28.404 -22.473 1.00 22.53 H new ATOM 1696 N GLU A 107 -12.610 27.625 -20.555 1.00 53.04 N ATOM 1697 CA GLU A 107 -11.415 28.132 -19.892 1.00 23.42 C ATOM 1698 C GLU A 107 -10.324 28.457 -20.909 1.00 74.13 C ATOM 1699 O GLU A 107 -9.601 29.442 -20.766 1.00 12.02 O ATOM 1700 CB GLU A 107 -10.895 27.112 -18.878 1.00 71.52 C ATOM 1701 CG GLU A 107 -10.213 27.742 -17.675 1.00 25.22 C ATOM 1702 CD GLU A 107 -10.656 27.126 -16.363 1.00 73.22 C ATOM 1703 OE1 GLU A 107 -10.039 26.126 -15.939 1.00 20.11 O ATOM 1704 OE2 GLU A 107 -11.620 27.642 -15.760 1.00 73.10 O1- ATOM 0 H GLU A 107 -12.733 26.615 -20.487 1.00 53.04 H new ATOM 0 HA GLU A 107 -11.684 29.049 -19.368 1.00 23.42 H new ATOM 0 HB2 GLU A 107 -11.727 26.499 -18.533 1.00 71.52 H new ATOM 0 HB3 GLU A 107 -10.192 26.444 -19.375 1.00 71.52 H new ATOM 0 HG2 GLU A 107 -9.133 27.633 -17.776 1.00 25.22 H new ATOM 0 HG3 GLU A 107 -10.426 28.811 -17.660 1.00 25.22 H new ATOM 1711 N GLN A 108 -10.212 27.618 -21.935 1.00 33.53 N ATOM 1712 CA GLN A 108 -9.209 27.815 -22.974 1.00 55.22 C ATOM 1713 C GLN A 108 -9.445 29.125 -23.718 1.00 60.33 C ATOM 1714 O GLN A 108 -8.504 29.859 -24.016 1.00 23.31 O ATOM 1715 CB GLN A 108 -9.229 26.645 -23.959 1.00 53.42 C ATOM 1716 CG GLN A 108 -8.108 26.693 -24.984 1.00 72.04 C ATOM 1717 CD GLN A 108 -8.507 27.421 -26.253 1.00 62.22 C ATOM 1718 OE1 GLN A 108 -7.992 28.500 -26.550 1.00 53.23 O ATOM 1719 NE2 GLN A 108 -9.427 26.834 -27.008 1.00 74.52 N ATOM 0 H GLN A 108 -10.803 26.797 -22.068 1.00 33.53 H new ATOM 0 HA GLN A 108 -8.231 27.862 -22.495 1.00 55.22 H new ATOM 0 HB2 GLN A 108 -9.161 25.711 -23.402 1.00 53.42 H new ATOM 0 HB3 GLN A 108 -10.186 26.636 -24.480 1.00 53.42 H new ATOM 0 HG2 GLN A 108 -7.240 27.185 -24.545 1.00 72.04 H new ATOM 0 HG3 GLN A 108 -7.805 25.676 -25.233 1.00 72.04 H new ATOM 0 HE21 GLN A 108 -9.826 25.940 -26.723 1.00 74.52 H new ATOM 0 HE22 GLN A 108 -9.735 27.277 -27.874 1.00 74.52 H new ATOM 1728 N ASN A 109 -10.708 29.412 -24.015 1.00 10.34 N ATOM 1729 CA ASN A 109 -11.068 30.634 -24.725 1.00 35.13 C ATOM 1730 C ASN A 109 -10.846 31.860 -23.845 1.00 14.44 C ATOM 1731 O ASN A 109 -10.588 32.957 -24.341 1.00 44.54 O ATOM 1732 CB ASN A 109 -12.528 30.574 -25.178 1.00 12.32 C ATOM 1733 CG ASN A 109 -12.693 30.914 -26.646 1.00 4.32 C ATOM 1734 OD1 ASN A 109 -11.955 30.417 -27.497 1.00 52.43 O ATOM 1735 ND2 ASN A 109 -13.664 31.768 -26.951 1.00 23.40 N ATOM 0 H ASN A 109 -11.499 28.815 -23.775 1.00 10.34 H new ATOM 0 HA ASN A 109 -10.426 30.718 -25.602 1.00 35.13 H new ATOM 0 HB2 ASN A 109 -12.922 29.575 -24.993 1.00 12.32 H new ATOM 0 HB3 ASN A 109 -13.120 31.266 -24.579 1.00 12.32 H new ATOM 0 HD21 ASN A 109 -13.821 32.036 -27.923 1.00 23.40 H new ATOM 0 HD22 ASN A 109 -14.252 32.156 -26.214 1.00 23.40 H new ATOM 1742 N LYS A 110 -10.951 31.667 -22.535 1.00 64.24 N ATOM 1743 CA LYS A 110 -10.760 32.755 -21.583 1.00 63.30 C ATOM 1744 C LYS A 110 -9.276 33.056 -21.390 1.00 33.02 C ATOM 1745 O LYS A 110 -8.895 34.193 -21.113 1.00 52.43 O ATOM 1746 CB LYS A 110 -11.398 32.401 -20.238 1.00 30.44 C ATOM 1747 CG LYS A 110 -12.804 32.953 -20.069 1.00 21.10 C ATOM 1748 CD LYS A 110 -12.787 34.449 -19.806 1.00 32.22 C ATOM 1749 CE LYS A 110 -13.817 34.842 -18.757 1.00 31.35 C ATOM 1750 NZ LYS A 110 -15.202 34.500 -19.184 1.00 62.20 N1+ ATOM 0 H LYS A 110 -11.168 30.766 -22.108 1.00 64.24 H new ATOM 0 HA LYS A 110 -11.244 33.645 -21.985 1.00 63.30 H new ATOM 0 HB2 LYS A 110 -11.427 31.316 -20.133 1.00 30.44 H new ATOM 0 HB3 LYS A 110 -10.768 32.782 -19.435 1.00 30.44 H new ATOM 0 HG2 LYS A 110 -13.387 32.747 -20.967 1.00 21.10 H new ATOM 0 HG3 LYS A 110 -13.299 32.443 -19.243 1.00 21.10 H new ATOM 0 HD2 LYS A 110 -11.794 34.750 -19.473 1.00 32.22 H new ATOM 0 HD3 LYS A 110 -12.988 34.985 -20.734 1.00 32.22 H new ATOM 0 HE2 LYS A 110 -13.591 34.336 -17.819 1.00 31.35 H new ATOM 0 HE3 LYS A 110 -13.750 35.913 -18.566 1.00 31.35 H new ATOM 0 HZ1 LYS A 110 -15.883 34.903 -18.509 1.00 62.20 H new ATOM 0 HZ2 LYS A 110 -15.380 34.892 -20.131 1.00 62.20 H new ATOM 0 HZ3 LYS A 110 -15.312 33.466 -19.211 1.00 62.20 H new ATOM 1764 N SER A 111 -8.445 32.029 -21.538 1.00 5.32 N ATOM 1765 CA SER A 111 -7.003 32.183 -21.378 1.00 12.15 C ATOM 1766 C SER A 111 -6.379 32.787 -22.632 1.00 33.21 C ATOM 1767 O SER A 111 -5.470 33.613 -22.552 1.00 24.44 O ATOM 1768 CB SER A 111 -6.356 30.832 -21.072 1.00 22.31 C ATOM 1769 OG SER A 111 -6.043 30.716 -19.695 1.00 34.13 O ATOM 0 H SER A 111 -8.745 31.082 -21.768 1.00 5.32 H new ATOM 0 HA SER A 111 -6.825 32.860 -20.543 1.00 12.15 H new ATOM 0 HB2 SER A 111 -7.031 30.028 -21.364 1.00 22.31 H new ATOM 0 HB3 SER A 111 -5.449 30.717 -21.665 1.00 22.31 H new ATOM 0 HG SER A 111 -5.632 29.843 -19.525 1.00 34.13 H new ATOM 1775 N LYS A 112 -6.874 32.368 -23.792 1.00 23.13 N ATOM 1776 CA LYS A 112 -6.367 32.866 -25.065 1.00 23.05 C ATOM 1777 C LYS A 112 -6.551 34.377 -25.170 1.00 25.20 C ATOM 1778 O LYS A 112 -5.718 35.076 -25.748 1.00 34.31 O ATOM 1779 CB LYS A 112 -7.080 32.173 -26.228 1.00 11.33 C ATOM 1780 CG LYS A 112 -6.422 32.414 -27.576 1.00 44.14 C ATOM 1781 CD LYS A 112 -6.893 31.409 -28.614 1.00 0.31 C ATOM 1782 CE LYS A 112 -8.096 31.929 -29.386 1.00 34.43 C ATOM 1783 NZ LYS A 112 -7.691 32.738 -30.568 1.00 70.23 N1+ ATOM 0 H LYS A 112 -7.626 31.684 -23.876 1.00 23.13 H new ATOM 0 HA LYS A 112 -5.301 32.643 -25.115 1.00 23.05 H new ATOM 0 HB2 LYS A 112 -7.113 31.101 -26.036 1.00 11.33 H new ATOM 0 HB3 LYS A 112 -8.112 32.521 -26.270 1.00 11.33 H new ATOM 0 HG2 LYS A 112 -6.649 33.424 -27.917 1.00 44.14 H new ATOM 0 HG3 LYS A 112 -5.339 32.349 -27.470 1.00 44.14 H new ATOM 0 HD2 LYS A 112 -6.080 31.192 -29.307 1.00 0.31 H new ATOM 0 HD3 LYS A 112 -7.152 30.471 -28.123 1.00 0.31 H new ATOM 0 HE2 LYS A 112 -8.708 31.088 -29.714 1.00 34.43 H new ATOM 0 HE3 LYS A 112 -8.716 32.536 -28.726 1.00 34.43 H new ATOM 0 HZ1 LYS A 112 -8.490 33.329 -30.874 1.00 70.23 H new ATOM 0 HZ2 LYS A 112 -6.888 33.347 -30.313 1.00 70.23 H new ATOM 0 HZ3 LYS A 112 -7.412 32.104 -31.344 1.00 70.23 H new ATOM 1797 N LYS A 113 -7.646 34.875 -24.607 1.00 23.34 N ATOM 1798 CA LYS A 113 -7.938 36.304 -24.633 1.00 52.31 C ATOM 1799 C LYS A 113 -6.813 37.102 -23.983 1.00 3.15 C ATOM 1800 O LYS A 113 -6.556 38.248 -24.353 1.00 1.51 O ATOM 1801 CB LYS A 113 -9.260 36.589 -23.917 1.00 55.11 C ATOM 1802 CG LYS A 113 -10.450 36.693 -24.854 1.00 11.51 C ATOM 1803 CD LYS A 113 -10.406 37.974 -25.671 1.00 24.31 C ATOM 1804 CE LYS A 113 -11.755 38.280 -26.304 1.00 73.42 C ATOM 1805 NZ LYS A 113 -12.685 38.930 -25.340 1.00 44.21 N1+ ATOM 0 H LYS A 113 -8.347 34.310 -24.127 1.00 23.34 H new ATOM 0 HA LYS A 113 -8.023 36.612 -25.675 1.00 52.31 H new ATOM 0 HB2 LYS A 113 -9.448 35.798 -23.191 1.00 55.11 H new ATOM 0 HB3 LYS A 113 -9.167 37.520 -23.357 1.00 55.11 H new ATOM 0 HG2 LYS A 113 -10.463 35.833 -25.524 1.00 11.51 H new ATOM 0 HG3 LYS A 113 -11.373 36.661 -24.276 1.00 11.51 H new ATOM 0 HD2 LYS A 113 -10.107 38.804 -25.031 1.00 24.31 H new ATOM 0 HD3 LYS A 113 -9.650 37.883 -26.451 1.00 24.31 H new ATOM 0 HE2 LYS A 113 -11.612 38.931 -27.166 1.00 73.42 H new ATOM 0 HE3 LYS A 113 -12.201 37.356 -26.673 1.00 73.42 H new ATOM 0 HZ1 LYS A 113 -13.593 39.122 -25.809 1.00 44.21 H new ATOM 0 HZ2 LYS A 113 -12.842 38.298 -24.529 1.00 44.21 H new ATOM 0 HZ3 LYS A 113 -12.271 39.824 -25.007 1.00 44.21 H new ATOM 1819 N LYS A 114 -6.143 36.489 -23.013 1.00 31.53 N ATOM 1820 CA LYS A 114 -5.044 37.141 -22.312 1.00 61.41 C ATOM 1821 C LYS A 114 -3.758 37.067 -23.129 1.00 0.11 C ATOM 1822 O LYS A 114 -2.878 37.917 -22.998 1.00 32.12 O ATOM 1823 CB LYS A 114 -4.828 36.493 -20.943 1.00 33.33 C ATOM 1824 CG LYS A 114 -4.886 37.477 -19.788 1.00 23.34 C ATOM 1825 CD LYS A 114 -6.242 38.158 -19.701 1.00 42.34 C ATOM 1826 CE LYS A 114 -6.689 38.330 -18.257 1.00 52.53 C ATOM 1827 NZ LYS A 114 -7.410 37.128 -17.753 1.00 13.22 N1+ ATOM 0 H LYS A 114 -6.342 35.541 -22.694 1.00 31.53 H new ATOM 0 HA LYS A 114 -5.307 38.190 -22.173 1.00 61.41 H new ATOM 0 HB2 LYS A 114 -5.584 35.723 -20.792 1.00 33.33 H new ATOM 0 HB3 LYS A 114 -3.859 35.994 -20.936 1.00 33.33 H new ATOM 0 HG2 LYS A 114 -4.680 36.955 -18.854 1.00 23.34 H new ATOM 0 HG3 LYS A 114 -4.107 38.230 -19.911 1.00 23.34 H new ATOM 0 HD2 LYS A 114 -6.192 39.133 -20.186 1.00 42.34 H new ATOM 0 HD3 LYS A 114 -6.981 37.569 -20.244 1.00 42.34 H new ATOM 0 HE2 LYS A 114 -5.820 38.522 -17.628 1.00 52.53 H new ATOM 0 HE3 LYS A 114 -7.338 39.202 -18.179 1.00 52.53 H new ATOM 0 HZ1 LYS A 114 -7.698 37.284 -16.766 1.00 13.22 H new ATOM 0 HZ2 LYS A 114 -8.254 36.959 -18.337 1.00 13.22 H new ATOM 0 HZ3 LYS A 114 -6.782 36.300 -17.803 1.00 13.22 H new ATOM 1841 N ALA A 115 -3.657 36.045 -23.972 1.00 4.15 N ATOM 1842 CA ALA A 115 -2.480 35.863 -24.813 1.00 12.10 C ATOM 1843 C ALA A 115 -2.734 36.367 -26.230 1.00 75.34 C ATOM 1844 O ALA A 115 -2.162 35.854 -27.191 1.00 44.32 O ATOM 1845 CB ALA A 115 -2.071 34.397 -24.838 1.00 74.21 C ATOM 0 H ALA A 115 -4.375 35.331 -24.091 1.00 4.15 H new ATOM 0 HA ALA A 115 -1.666 36.449 -24.387 1.00 12.10 H new ATOM 0 HB1 ALA A 115 -1.191 34.275 -25.470 1.00 74.21 H new ATOM 0 HB2 ALA A 115 -1.839 34.067 -23.825 1.00 74.21 H new ATOM 0 HB3 ALA A 115 -2.889 33.798 -25.237 1.00 74.21 H new ATOM 1851 N GLN A 116 -3.595 37.372 -26.350 1.00 63.24 N ATOM 1852 CA GLN A 116 -3.925 37.943 -27.650 1.00 10.21 C ATOM 1853 C GLN A 116 -4.380 39.391 -27.509 1.00 34.14 C ATOM 1854 O GLN A 116 -5.166 39.885 -28.317 1.00 24.25 O ATOM 1855 CB GLN A 116 -5.016 37.117 -28.332 1.00 52.21 C ATOM 1856 CG GLN A 116 -4.796 36.931 -29.825 1.00 4.33 C ATOM 1857 CD GLN A 116 -5.608 35.786 -30.397 1.00 11.22 C ATOM 1858 OE1 GLN A 116 -5.375 34.621 -30.071 1.00 5.41 O ATOM 1859 NE2 GLN A 116 -6.568 36.111 -31.255 1.00 71.22 N ATOM 0 H GLN A 116 -4.076 37.807 -25.563 1.00 63.24 H new ATOM 0 HA GLN A 116 -3.026 37.922 -28.266 1.00 10.21 H new ATOM 0 HB2 GLN A 116 -5.069 36.138 -27.856 1.00 52.21 H new ATOM 0 HB3 GLN A 116 -5.979 37.601 -28.173 1.00 52.21 H new ATOM 0 HG2 GLN A 116 -5.059 37.853 -30.345 1.00 4.33 H new ATOM 0 HG3 GLN A 116 -3.738 36.750 -30.013 1.00 4.33 H new ATOM 0 HE21 GLN A 116 -6.726 37.089 -31.497 1.00 71.22 H new ATOM 0 HE22 GLN A 116 -7.147 35.382 -31.672 1.00 71.22 H new ATOM 1868 N GLN A 117 -3.883 40.065 -26.476 1.00 72.02 N ATOM 1869 CA GLN A 117 -4.242 41.457 -26.229 1.00 50.44 C ATOM 1870 C GLN A 117 -3.260 42.401 -26.913 1.00 0.25 C ATOM 1871 O GLN A 117 -3.643 43.468 -27.395 1.00 40.53 O ATOM 1872 CB GLN A 117 -4.274 41.737 -24.726 1.00 21.41 C ATOM 1873 CG GLN A 117 -4.903 43.075 -24.370 1.00 15.11 C ATOM 1874 CD GLN A 117 -4.147 43.803 -23.277 1.00 2.34 C ATOM 1875 OE1 GLN A 117 -3.320 43.214 -22.579 1.00 1.25 O ATOM 1876 NE2 GLN A 117 -4.426 45.093 -23.122 1.00 72.45 N ATOM 0 H GLN A 117 -3.232 39.670 -25.798 1.00 72.02 H new ATOM 0 HA GLN A 117 -5.234 41.630 -26.645 1.00 50.44 H new ATOM 0 HB2 GLN A 117 -4.827 40.941 -24.228 1.00 21.41 H new ATOM 0 HB3 GLN A 117 -3.256 41.709 -24.338 1.00 21.41 H new ATOM 0 HG2 GLN A 117 -4.941 43.703 -25.260 1.00 15.11 H new ATOM 0 HG3 GLN A 117 -5.932 42.914 -24.049 1.00 15.11 H new ATOM 0 HE21 GLN A 117 -5.118 45.541 -23.723 1.00 72.45 H new ATOM 0 HE22 GLN A 117 -3.948 45.635 -22.403 1.00 72.45 H new ATOM 1885 N ALA A 118 -1.992 42.003 -26.953 1.00 13.23 N ATOM 1886 CA ALA A 118 -0.956 42.814 -27.580 1.00 60.01 C ATOM 1887 C ALA A 118 -1.133 42.856 -29.094 1.00 10.21 C ATOM 1888 O ALA A 118 -0.716 43.809 -29.751 1.00 42.24 O ATOM 1889 CB ALA A 118 0.422 42.278 -27.223 1.00 60.25 C ATOM 0 H ALA A 118 -1.658 41.124 -26.558 1.00 13.23 H new ATOM 0 HA ALA A 118 -1.047 43.832 -27.201 1.00 60.01 H new ATOM 0 HB1 ALA A 118 1.186 42.893 -27.698 1.00 60.25 H new ATOM 0 HB2 ALA A 118 0.554 42.306 -26.141 1.00 60.25 H new ATOM 0 HB3 ALA A 118 0.514 41.250 -27.573 1.00 60.25 H new ATOM 1895 N ALA A 119 -1.755 41.816 -29.641 1.00 43.31 N ATOM 1896 CA ALA A 119 -1.987 41.735 -31.078 1.00 22.34 C ATOM 1897 C ALA A 119 -3.291 42.427 -31.462 1.00 43.44 C ATOM 1898 O ALA A 119 -4.144 41.839 -32.127 1.00 42.43 O ATOM 1899 CB ALA A 119 -2.006 40.282 -31.529 1.00 71.04 C ATOM 0 H ALA A 119 -2.107 41.019 -29.111 1.00 43.31 H new ATOM 0 HA ALA A 119 -1.170 42.250 -31.583 1.00 22.34 H new ATOM 0 HB1 ALA A 119 -2.180 40.237 -32.604 1.00 71.04 H new ATOM 0 HB2 ALA A 119 -1.048 39.816 -31.297 1.00 71.04 H new ATOM 0 HB3 ALA A 119 -2.803 39.750 -31.010 1.00 71.04 H new ATOM 1905 N ALA A 120 -3.438 43.678 -31.040 1.00 1.02 N ATOM 1906 CA ALA A 120 -4.638 44.450 -31.341 1.00 23.22 C ATOM 1907 C ALA A 120 -4.380 45.946 -31.193 1.00 70.43 C ATOM 1908 O ALA A 120 -5.295 46.717 -30.904 1.00 1.14 O ATOM 1909 CB ALA A 120 -5.784 44.018 -30.439 1.00 30.20 C ATOM 0 H ALA A 120 -2.741 44.179 -30.489 1.00 1.02 H new ATOM 0 HA ALA A 120 -4.914 44.256 -32.378 1.00 23.22 H new ATOM 0 HB1 ALA A 120 -6.673 44.603 -30.675 1.00 30.20 H new ATOM 0 HB2 ALA A 120 -5.993 42.960 -30.598 1.00 30.20 H new ATOM 0 HB3 ALA A 120 -5.508 44.181 -29.397 1.00 30.20 H new ATOM 1915 N ASP A 121 -3.129 46.348 -31.390 1.00 31.05 N ATOM 1916 CA ASP A 121 -2.751 47.752 -31.278 1.00 52.30 C ATOM 1917 C ASP A 121 -2.885 48.460 -32.623 1.00 61.15 C ATOM 1918 O ASP A 121 -3.275 49.625 -32.688 1.00 13.33 O ATOM 1919 CB ASP A 121 -1.317 47.876 -30.762 1.00 22.23 C ATOM 1920 CG ASP A 121 -1.112 49.118 -29.915 1.00 43.44 C ATOM 1921 OD1 ASP A 121 -1.926 50.057 -30.032 1.00 15.23 O ATOM 1922 OD2 ASP A 121 -0.137 49.149 -29.137 1.00 64.43 O1- ATOM 0 H ASP A 121 -2.360 45.722 -31.628 1.00 31.05 H new ATOM 0 HA ASP A 121 -3.426 48.230 -30.568 1.00 52.30 H new ATOM 0 HB2 ASP A 121 -1.068 46.993 -30.173 1.00 22.23 H new ATOM 0 HB3 ASP A 121 -0.630 47.899 -31.608 1.00 22.23 H new ATOM 1927 N THR A 122 -2.554 47.747 -33.696 1.00 33.23 N ATOM 1928 CA THR A 122 -2.635 48.307 -35.039 1.00 52.43 C ATOM 1929 C THR A 122 -4.085 48.469 -35.482 1.00 45.01 C ATOM 1930 O THR A 122 -4.964 47.730 -35.043 1.00 32.30 O ATOM 1931 CB THR A 122 -1.893 47.424 -36.060 1.00 14.42 C ATOM 1932 OG1 THR A 122 -2.623 46.212 -36.281 1.00 54.24 O ATOM 1933 CG2 THR A 122 -0.490 47.095 -35.575 1.00 4.13 C ATOM 0 H THR A 122 -2.228 46.781 -33.660 1.00 33.23 H new ATOM 0 HA THR A 122 -2.159 49.287 -35.002 1.00 52.43 H new ATOM 0 HB THR A 122 -1.815 47.978 -36.996 1.00 14.42 H new ATOM 0 HG1 THR A 122 -2.146 45.657 -36.933 1.00 54.24 H new ATOM 0 HG21 THR A 122 0.013 46.471 -36.313 1.00 4.13 H new ATOM 0 HG22 THR A 122 0.073 48.018 -35.436 1.00 4.13 H new ATOM 0 HG23 THR A 122 -0.549 46.560 -34.627 1.00 4.13 H new ATOM 1941 N GLY A 123 -4.326 49.442 -36.355 1.00 14.53 N ATOM 1942 CA GLY A 123 -5.672 49.683 -36.843 1.00 30.20 C ATOM 1943 C GLY A 123 -6.120 48.639 -37.847 1.00 40.41 C ATOM 1944 O GLY A 123 -5.478 47.601 -38.001 1.00 0.23 O ATOM 0 H GLY A 123 -3.614 50.067 -36.733 1.00 14.53 H new ATOM 0 HA2 GLY A 123 -6.364 49.693 -36.001 1.00 30.20 H new ATOM 0 HA3 GLY A 123 -5.717 50.669 -37.305 1.00 30.20 H new ATOM 1948 N ASN A 124 -7.225 48.915 -38.532 1.00 41.33 N ATOM 1949 CA ASN A 124 -7.760 47.991 -39.525 1.00 61.12 C ATOM 1950 C ASN A 124 -8.640 48.724 -40.533 1.00 31.33 C ATOM 1951 O ASN A 124 -9.125 49.823 -40.265 1.00 21.42 O ATOM 1952 CB ASN A 124 -8.562 46.882 -38.841 1.00 31.03 C ATOM 1953 CG ASN A 124 -9.392 47.400 -37.682 1.00 10.44 C ATOM 1954 OD1 ASN A 124 -10.313 48.195 -37.871 1.00 5.03 O ATOM 1955 ND2 ASN A 124 -9.069 46.950 -36.475 1.00 1.43 N ATOM 0 H ASN A 124 -7.767 49.771 -38.417 1.00 41.33 H new ATOM 0 HA ASN A 124 -6.921 47.546 -40.059 1.00 61.12 H new ATOM 0 HB2 ASN A 124 -9.218 46.408 -39.571 1.00 31.03 H new ATOM 0 HB3 ASN A 124 -7.879 46.113 -38.480 1.00 31.03 H new ATOM 0 HD21 ASN A 124 -9.592 47.263 -35.657 1.00 1.43 H new ATOM 0 HD22 ASN A 124 -8.298 46.292 -36.366 1.00 1.43 H new ATOM 1962 N ASN A 125 -8.845 48.108 -41.692 1.00 51.24 N ATOM 1963 CA ASN A 125 -9.667 48.701 -42.739 1.00 31.14 C ATOM 1964 C ASN A 125 -11.136 48.337 -42.550 1.00 74.12 C ATOM 1965 O ASN A 125 -11.472 47.177 -42.310 1.00 55.44 O ATOM 1966 CB ASN A 125 -9.188 48.238 -44.116 1.00 14.42 C ATOM 1967 CG ASN A 125 -8.468 49.334 -44.878 1.00 24.33 C ATOM 1968 OD1 ASN A 125 -9.078 50.069 -45.656 1.00 73.35 O ATOM 1969 ND2 ASN A 125 -7.164 49.450 -44.656 1.00 74.44 N ATOM 0 H ASN A 125 -8.452 47.197 -41.930 1.00 51.24 H new ATOM 0 HA ASN A 125 -9.569 49.785 -42.673 1.00 31.14 H new ATOM 0 HB2 ASN A 125 -8.521 47.384 -43.997 1.00 14.42 H new ATOM 0 HB3 ASN A 125 -10.043 47.896 -44.699 1.00 14.42 H new ATOM 0 HD21 ASN A 125 -6.627 50.170 -45.139 1.00 74.44 H new ATOM 0 HD22 ASN A 125 -6.700 48.819 -44.003 1.00 74.44 H new ATOM 1976 N SER A 126 -12.008 49.334 -42.659 1.00 5.22 N ATOM 1977 CA SER A 126 -13.440 49.120 -42.497 1.00 34.52 C ATOM 1978 C SER A 126 -14.095 48.789 -43.834 1.00 51.22 C ATOM 1979 O SER A 126 -13.493 48.967 -44.893 1.00 72.55 O ATOM 1980 CB SER A 126 -14.098 50.360 -41.888 1.00 21.20 C ATOM 1981 OG SER A 126 -13.124 51.267 -41.403 1.00 44.24 O ATOM 0 H SER A 126 -11.747 50.299 -42.859 1.00 5.22 H new ATOM 0 HA SER A 126 -13.581 48.275 -41.823 1.00 34.52 H new ATOM 0 HB2 SER A 126 -14.717 50.853 -42.638 1.00 21.20 H new ATOM 0 HB3 SER A 126 -14.759 50.062 -41.074 1.00 21.20 H new ATOM 0 HG SER A 126 -13.569 52.052 -41.020 1.00 44.24 H new ATOM 1987 N GLN A 127 -15.332 48.306 -43.776 1.00 55.13 N ATOM 1988 CA GLN A 127 -16.069 47.948 -44.984 1.00 72.45 C ATOM 1989 C GLN A 127 -16.550 49.196 -45.717 1.00 73.05 C ATOM 1990 O GLN A 127 -17.065 50.130 -45.103 1.00 64.25 O ATOM 1991 CB GLN A 127 -17.262 47.056 -44.633 1.00 24.25 C ATOM 1992 CG GLN A 127 -16.883 45.817 -43.838 1.00 64.45 C ATOM 1993 CD GLN A 127 -17.707 44.604 -44.220 1.00 35.44 C ATOM 1994 OE1 GLN A 127 -17.187 43.630 -44.762 1.00 62.11 O ATOM 1995 NE2 GLN A 127 -19.004 44.658 -43.937 1.00 74.32 N ATOM 0 H GLN A 127 -15.845 48.154 -42.908 1.00 55.13 H new ATOM 0 HA GLN A 127 -15.395 47.399 -45.642 1.00 72.45 H new ATOM 0 HB2 GLN A 127 -17.984 47.638 -44.060 1.00 24.25 H new ATOM 0 HB3 GLN A 127 -17.759 46.749 -45.553 1.00 24.25 H new ATOM 0 HG2 GLN A 127 -15.827 45.598 -43.995 1.00 64.45 H new ATOM 0 HG3 GLN A 127 -17.012 46.019 -42.775 1.00 64.45 H new ATOM 0 HE21 GLN A 127 -19.394 45.486 -43.487 1.00 74.32 H new ATOM 0 HE22 GLN A 127 -19.610 43.871 -44.170 1.00 74.32 H new ATOM 2004 N VAL A 128 -16.378 49.204 -47.034 1.00 41.53 N ATOM 2005 CA VAL A 128 -16.794 50.336 -47.853 1.00 12.11 C ATOM 2006 C VAL A 128 -18.314 50.450 -47.902 1.00 75.55 C ATOM 2007 O VAL A 128 -19.019 49.445 -47.998 1.00 64.52 O ATOM 2008 CB VAL A 128 -16.253 50.220 -49.290 1.00 50.12 C ATOM 2009 CG1 VAL A 128 -16.775 48.956 -49.957 1.00 71.53 C ATOM 2010 CG2 VAL A 128 -16.626 51.452 -50.101 1.00 42.03 C ATOM 0 H VAL A 128 -15.953 48.439 -47.558 1.00 41.53 H new ATOM 0 HA VAL A 128 -16.380 51.231 -47.388 1.00 12.11 H new ATOM 0 HB VAL A 128 -15.166 50.157 -49.246 1.00 50.12 H new ATOM 0 HG11 VAL A 128 -16.382 48.891 -50.972 1.00 71.53 H new ATOM 0 HG12 VAL A 128 -16.453 48.084 -49.387 1.00 71.53 H new ATOM 0 HG13 VAL A 128 -17.864 48.986 -49.991 1.00 71.53 H new ATOM 0 HG21 VAL A 128 -16.236 51.353 -51.114 1.00 42.03 H new ATOM 0 HG22 VAL A 128 -17.711 51.548 -50.138 1.00 42.03 H new ATOM 0 HG23 VAL A 128 -16.199 52.339 -49.633 1.00 42.03 H new ATOM 2020 N SER A 129 -18.812 51.680 -47.834 1.00 15.35 N ATOM 2021 CA SER A 129 -20.250 51.925 -47.867 1.00 12.23 C ATOM 2022 C SER A 129 -20.721 52.205 -49.291 1.00 22.12 C ATOM 2023 O SER A 129 -19.911 52.344 -50.207 1.00 54.14 O ATOM 2024 CB SER A 129 -20.609 53.102 -46.958 1.00 62.14 C ATOM 2025 OG SER A 129 -21.506 52.702 -45.936 1.00 43.31 O ATOM 0 H SER A 129 -18.242 52.522 -47.756 1.00 15.35 H new ATOM 0 HA SER A 129 -20.755 51.029 -47.506 1.00 12.23 H new ATOM 0 HB2 SER A 129 -19.702 53.510 -46.511 1.00 62.14 H new ATOM 0 HB3 SER A 129 -21.059 53.899 -47.550 1.00 62.14 H new ATOM 0 HG SER A 129 -21.719 53.472 -45.368 1.00 43.31 H new ATOM 2031 N GLN A 130 -22.036 52.287 -49.467 1.00 41.14 N ATOM 2032 CA GLN A 130 -22.615 52.550 -50.780 1.00 62.54 C ATOM 2033 C GLN A 130 -22.691 54.049 -51.050 1.00 1.04 C ATOM 2034 O GLN A 130 -22.293 54.861 -50.217 1.00 65.54 O ATOM 2035 CB GLN A 130 -24.010 51.930 -50.877 1.00 2.44 C ATOM 2036 CG GLN A 130 -24.948 52.364 -49.763 1.00 51.41 C ATOM 2037 CD GLN A 130 -26.408 52.164 -50.119 1.00 31.31 C ATOM 2038 OE1 GLN A 130 -26.733 51.620 -51.175 1.00 73.21 O ATOM 2039 NE2 GLN A 130 -27.298 52.602 -49.236 1.00 22.24 N ATOM 0 H GLN A 130 -22.720 52.175 -48.718 1.00 41.14 H new ATOM 0 HA GLN A 130 -21.970 52.096 -51.533 1.00 62.54 H new ATOM 0 HB2 GLN A 130 -24.451 52.198 -51.837 1.00 2.44 H new ATOM 0 HB3 GLN A 130 -23.918 50.844 -50.860 1.00 2.44 H new ATOM 0 HG2 GLN A 130 -24.718 51.800 -48.859 1.00 51.41 H new ATOM 0 HG3 GLN A 130 -24.774 53.416 -49.536 1.00 51.41 H new ATOM 0 HE21 GLN A 130 -26.984 53.047 -48.373 1.00 22.24 H new ATOM 0 HE22 GLN A 130 -28.295 52.493 -49.420 1.00 22.24 H new ATOM 2048 N ASN A 131 -23.206 54.409 -52.221 1.00 55.34 N ATOM 2049 CA ASN A 131 -23.333 55.810 -52.603 1.00 14.15 C ATOM 2050 C ASN A 131 -24.801 56.199 -52.761 1.00 43.13 C ATOM 2051 O ASN A 131 -25.615 55.411 -53.242 1.00 74.45 O ATOM 2052 CB ASN A 131 -22.581 56.076 -53.908 1.00 24.12 C ATOM 2053 CG ASN A 131 -22.468 57.556 -54.219 1.00 53.00 C ATOM 2054 OD1 ASN A 131 -22.505 58.396 -53.320 1.00 73.43 O ATOM 2055 ND2 ASN A 131 -22.332 57.882 -55.499 1.00 23.10 N ATOM 0 H ASN A 131 -23.542 53.749 -52.922 1.00 55.34 H new ATOM 0 HA ASN A 131 -22.896 56.418 -51.810 1.00 14.15 H new ATOM 0 HB2 ASN A 131 -21.582 55.644 -53.843 1.00 24.12 H new ATOM 0 HB3 ASN A 131 -23.093 55.573 -54.728 1.00 24.12 H new ATOM 0 HD21 ASN A 131 -22.253 58.862 -55.770 1.00 23.10 H new ATOM 0 HD22 ASN A 131 -22.306 57.152 -56.211 1.00 23.10 H new ATOM 2062 N TYR A 132 -25.129 57.420 -52.354 1.00 32.25 N ATOM 2063 CA TYR A 132 -26.498 57.914 -52.448 1.00 1.24 C ATOM 2064 C TYR A 132 -26.572 59.391 -52.073 1.00 3.30 C ATOM 2065 O TYR A 132 -25.569 60.093 -52.188 1.00 5.32 O ATOM 2066 CB TYR A 132 -27.421 57.099 -51.541 1.00 61.32 C ATOM 2067 CG TYR A 132 -28.873 57.137 -51.962 1.00 60.25 C ATOM 2068 CD1 TYR A 132 -29.676 58.230 -51.664 1.00 43.23 C ATOM 2069 CD2 TYR A 132 -29.441 56.078 -52.659 1.00 51.24 C ATOM 2070 CE1 TYR A 132 -31.002 58.268 -52.046 1.00 52.22 C ATOM 2071 CE2 TYR A 132 -30.766 56.107 -53.046 1.00 11.43 C ATOM 2072 CZ TYR A 132 -31.543 57.204 -52.737 1.00 50.54 C ATOM 2073 OH TYR A 132 -32.865 57.239 -53.121 1.00 42.43 O ATOM 0 H TYR A 132 -24.466 58.086 -51.956 1.00 32.25 H new ATOM 0 HA TYR A 132 -26.826 57.804 -53.482 1.00 1.24 H new ATOM 0 HB2 TYR A 132 -27.082 56.063 -51.529 1.00 61.32 H new ATOM 0 HB3 TYR A 132 -27.337 57.474 -50.521 1.00 61.32 H new ATOM 0 HD1 TYR A 132 -29.256 59.065 -51.124 1.00 43.23 H new ATOM 0 HD2 TYR A 132 -28.836 55.217 -52.902 1.00 51.24 H new ATOM 0 HE1 TYR A 132 -31.612 59.126 -51.805 1.00 52.22 H new ATOM 0 HE2 TYR A 132 -31.192 55.275 -53.588 1.00 11.43 H new ATOM 0 HH TYR A 132 -33.089 56.413 -53.599 1.00 42.43 H new TER 2083 TYR A 132 HETATM 2084 O1 PC8 A 300 7.319 11.024 -25.007 1.00 62.24 O HETATM 2085 O2 PC8 A 300 4.940 10.365 -24.640 1.00 33.45 O HETATM 2086 P1 PC8 A 300 5.948 11.274 -25.455 1.00 23.24 P HETATM 2087 O3 PC8 A 300 5.509 12.801 -25.262 1.00 54.35 O HETATM 2088 C1 PC8 A 300 6.522 13.819 -25.378 1.00 54.42 C HETATM 2089 C2 PC8 A 300 6.948 14.125 -26.842 1.00 22.32 C HETATM 2090 N1 PC8 A 300 7.251 15.572 -27.215 1.00 21.32 N HETATM 2091 C3 PC8 A 300 7.649 15.718 -28.666 1.00 20.30 C HETATM 2092 C4 PC8 A 300 5.981 16.364 -27.001 1.00 41.43 C HETATM 2093 C5 PC8 A 300 8.341 16.158 -26.345 1.00 21.32 C HETATM 2094 O4 PC8 A 300 5.783 10.902 -27.005 1.00 74.34 O HETATM 2095 C6 PC8 A 300 5.586 9.506 -27.339 1.00 63.35 C HETATM 2096 C7 PC8 A 300 4.436 9.249 -28.359 1.00 21.44 C HETATM 2097 C8 PC8 A 300 4.349 7.788 -28.856 1.00 73.24 C HETATM 2098 O5 PC8 A 300 5.659 7.249 -29.066 1.00 72.31 O HETATM 2099 C9 PC8 A 300 6.248 6.991 -30.269 1.00 22.51 C HETATM 2100 O6 PC8 A 300 7.100 7.778 -30.746 1.00 22.22 O HETATM 2101 C10 PC8 A 300 5.818 5.771 -30.982 1.00 44.11 C HETATM 2102 C11 PC8 A 300 6.570 4.470 -30.589 1.00 22.04 C HETATM 2103 C12 PC8 A 300 6.989 3.633 -31.826 1.00 73.21 C HETATM 2104 C13 PC8 A 300 8.492 3.791 -32.174 1.00 64.35 C HETATM 2105 C14 PC8 A 300 8.823 3.308 -33.611 1.00 55.42 C HETATM 2106 C15 PC8 A 300 10.018 4.073 -34.239 1.00 71.13 C HETATM 2107 C16 PC8 A 300 11.385 3.488 -33.818 1.00 11.34 C HETATM 2108 O7 PC8 A 300 3.138 9.604 -27.852 1.00 35.14 O HETATM 2109 C17 PC8 A 300 2.538 10.833 -27.848 1.00 64.42 C HETATM 2110 O8 PC8 A 300 3.019 11.777 -27.173 1.00 74.14 O HETATM 2111 C18 PC8 A 300 1.331 11.017 -28.683 1.00 1.13 C HETATM 2112 C19 PC8 A 300 0.110 11.654 -27.960 1.00 75.35 C HETATM 2113 C20 PC8 A 300 -0.390 10.801 -26.761 1.00 72.21 C HETATM 2114 C21 PC8 A 300 -1.265 11.620 -25.774 1.00 73.12 C HETATM 2115 C22 PC8 A 300 -0.786 11.504 -24.302 1.00 74.41 C HETATM 2116 C23 PC8 A 300 -1.862 11.976 -23.289 1.00 0.14 C HETATM 2117 C24 PC8 A 300 -3.100 11.052 -23.251 1.00 10.21 C HETATM 0 H9 PC8 A 300 5.679 16.293 -25.956 1.00 41.43 H new HETATM 0 H8 PC8 A 300 6.156 17.409 -27.258 1.00 41.43 H new HETATM 0 H7 PC8 A 300 8.543 15.125 -28.860 1.00 20.30 H new HETATM 0 H6 PC8 A 300 6.837 15.368 -29.303 1.00 20.30 H new HETATM 0 H5 PC8 A 300 7.855 16.766 -28.883 1.00 20.30 H new HETATM 0 H48 PC8 A 300 -3.563 11.024 -24.237 1.00 10.21 H new HETATM 0 H47 PC8 A 300 -2.794 10.046 -22.965 1.00 10.21 H new HETATM 0 H46 PC8 A 300 -3.817 11.434 -22.524 1.00 10.21 H new HETATM 0 H45 PC8 A 300 -1.420 12.024 -22.294 1.00 0.14 H new HETATM 0 H44 PC8 A 300 -2.177 12.987 -23.547 1.00 0.14 H new HETATM 0 H43 PC8 A 300 -0.521 10.468 -24.090 1.00 74.41 H new HETATM 0 H42 PC8 A 300 0.118 12.098 -24.170 1.00 74.41 H new HETATM 0 H41 PC8 A 300 -1.256 12.668 -26.072 1.00 73.12 H new HETATM 0 H40 PC8 A 300 -2.298 11.278 -25.843 1.00 73.12 H new HETATM 0 H4 PC8 A 300 7.835 13.531 -27.062 1.00 22.32 H new HETATM 0 H39 PC8 A 300 -0.966 9.955 -27.136 1.00 72.21 H new HETATM 0 H38 PC8 A 300 0.468 10.392 -26.228 1.00 72.21 H new HETATM 0 H37 PC8 A 300 0.381 12.648 -27.605 1.00 75.35 H new HETATM 0 H36 PC8 A 300 -0.704 11.782 -28.674 1.00 75.35 H new HETATM 0 H35 PC8 A 300 1.593 11.642 -29.537 1.00 1.13 H new HETATM 0 H34 PC8 A 300 1.032 10.046 -29.078 1.00 1.13 H new HETATM 0 H33 PC8 A 300 11.486 3.542 -32.734 1.00 11.34 H new HETATM 0 H32 PC8 A 300 11.449 2.448 -34.137 1.00 11.34 H new HETATM 0 H31 PC8 A 300 12.186 4.061 -34.286 1.00 11.34 H new HETATM 0 H30 PC8 A 300 9.933 4.043 -35.325 1.00 71.13 H new HETATM 0 H3 PC8 A 300 6.156 13.770 -27.501 1.00 22.32 H new HETATM 0 H29 PC8 A 300 9.969 5.121 -33.944 1.00 71.13 H new HETATM 0 H28 PC8 A 300 9.051 2.242 -33.588 1.00 55.42 H new HETATM 0 H27 PC8 A 300 7.944 3.433 -34.243 1.00 55.42 H new HETATM 0 H26 PC8 A 300 8.777 4.838 -32.071 1.00 64.35 H new HETATM 0 H25 PC8 A 300 9.089 3.226 -31.458 1.00 64.35 H new HETATM 0 H24 PC8 A 300 6.772 2.581 -31.638 1.00 73.21 H new HETATM 0 H23 PC8 A 300 6.388 3.934 -32.684 1.00 73.21 H new HETATM 0 H22 PC8 A 300 7.457 4.727 -30.010 1.00 22.04 H new HETATM 0 H21 PC8 A 300 5.932 3.866 -29.944 1.00 22.04 H new HETATM 0 H20 PC8 A 300 4.753 5.623 -30.804 1.00 44.11 H new HETATM 0 H2 PC8 A 300 6.155 14.736 -24.918 1.00 54.42 H new HETATM 0 H19 PC8 A 300 5.943 5.933 -32.053 1.00 44.11 H new HETATM 0 H18 PC8 A 300 3.813 7.181 -28.126 1.00 73.24 H new HETATM 0 H17 PC8 A 300 3.780 7.747 -29.785 1.00 73.24 H new HETATM 0 H16 PC8 A 300 4.705 9.898 -29.193 1.00 21.44 H new HETATM 0 H15 PC8 A 300 6.515 9.107 -27.747 1.00 63.35 H new HETATM 0 H14 PC8 A 300 5.376 8.951 -26.424 1.00 63.35 H new HETATM 0 H13 PC8 A 300 8.027 16.132 -25.301 1.00 21.32 H new HETATM 0 H12 PC8 A 300 9.254 15.575 -26.464 1.00 21.32 H new HETATM 0 H11 PC8 A 300 8.528 17.190 -26.642 1.00 21.32 H new HETATM 0 H10 PC8 A 300 5.190 15.962 -27.635 1.00 41.43 H new HETATM 0 H1 PC8 A 300 7.401 13.509 -24.812 1.00 54.42 H new