USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot 165:sc=-0.00755 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.08 K(o=-1.1,f=0.36) USER MOD Set 2.1: A 29 TYR OH : rot 166:sc= 1.08 USER MOD Set 2.2: A 97 THR OG1 : rot 57:sc= 0.756 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0406 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.4! C(o=-4.4!,f=-10!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0207 K(o=-0.021,f=-0.98) USER MOD Single : A 53 THR OG1 : rot -47:sc= 1.54 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -106:sc= -0.179 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 63 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0654 X(o=-0.065,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.292 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.91 USER MOD Single : A 80 ASN : amide:sc= -3.24! C(o=-3.2!,f=-5.2!) USER MOD Single : A 81 THR OG1 : rot 70:sc= 0.0196 USER MOD Single : A 87 CYS SG : rot 79:sc= -0.176 USER MOD Single : A 89 HIS : no HD1:sc= -1.42! C(o=-0.77!,f=-4.5!) 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 ----------------------------------------------------------------- ATOM 63 N VAL A 7 9.331 -5.200 -8.705 1.00 33.51 N ATOM 64 CA VAL A 7 9.909 -6.526 -8.514 1.00 52.05 C ATOM 65 C VAL A 7 11.294 -6.617 -9.145 1.00 52.11 C ATOM 66 O VAL A 7 12.294 -6.797 -8.449 1.00 3.10 O ATOM 67 CB VAL A 7 9.011 -7.622 -9.115 1.00 74.22 C ATOM 68 CG1 VAL A 7 9.568 -9.003 -8.800 1.00 14.42 C ATOM 69 CG2 VAL A 7 7.585 -7.484 -8.602 1.00 3.32 C ATOM 0 HA VAL A 7 9.991 -6.684 -7.439 1.00 52.05 H new ATOM 0 HB VAL A 7 8.997 -7.501 -10.198 1.00 74.22 H new ATOM 0 HG11 VAL A 7 8.919 -9.764 -9.233 1.00 14.42 H new ATOM 0 HG12 VAL A 7 10.569 -9.096 -9.221 1.00 14.42 H new ATOM 0 HG13 VAL A 7 9.615 -9.139 -7.719 1.00 14.42 H new ATOM 0 HG21 VAL A 7 6.964 -8.267 -9.037 1.00 3.32 H new ATOM 0 HG22 VAL A 7 7.578 -7.577 -7.516 1.00 3.32 H new ATOM 0 HG23 VAL A 7 7.189 -6.508 -8.885 1.00 3.32 H new ATOM 79 N LEU A 8 11.346 -6.489 -10.466 1.00 24.44 N ATOM 80 CA LEU A 8 12.610 -6.557 -11.192 1.00 75.22 C ATOM 81 C LEU A 8 12.898 -5.240 -11.905 1.00 43.33 C ATOM 82 O LEU A 8 12.141 -4.815 -12.777 1.00 43.34 O ATOM 83 CB LEU A 8 12.577 -7.702 -12.206 1.00 41.31 C ATOM 84 CG LEU A 8 12.465 -9.111 -11.623 1.00 20.32 C ATOM 85 CD1 LEU A 8 12.344 -10.141 -12.736 1.00 54.11 C ATOM 86 CD2 LEU A 8 13.662 -9.419 -10.736 1.00 63.43 C ATOM 0 H LEU A 8 10.528 -6.338 -11.056 1.00 24.44 H new ATOM 0 HA LEU A 8 13.406 -6.741 -10.471 1.00 75.22 H new ATOM 0 HB2 LEU A 8 11.735 -7.541 -12.879 1.00 41.31 H new ATOM 0 HB3 LEU A 8 13.482 -7.651 -12.811 1.00 41.31 H new ATOM 0 HG LEU A 8 11.564 -9.160 -11.011 1.00 20.32 H new ATOM 0 HD11 LEU A 8 12.265 -11.138 -12.302 1.00 54.11 H new ATOM 0 HD12 LEU A 8 11.454 -9.932 -13.330 1.00 54.11 H new ATOM 0 HD13 LEU A 8 13.226 -10.092 -13.375 1.00 54.11 H new ATOM 0 HD21 LEU A 8 13.565 -10.426 -10.330 1.00 63.43 H new ATOM 0 HD22 LEU A 8 14.577 -9.352 -11.324 1.00 63.43 H new ATOM 0 HD23 LEU A 8 13.703 -8.700 -9.918 1.00 63.43 H new ATOM 98 N SER A 9 14.001 -4.598 -11.528 1.00 63.41 N ATOM 99 CA SER A 9 14.390 -3.329 -12.131 1.00 5.14 C ATOM 100 C SER A 9 14.759 -3.514 -13.600 1.00 1.03 C ATOM 101 O SER A 9 14.586 -4.593 -14.163 1.00 33.53 O ATOM 102 CB SER A 9 15.569 -2.719 -11.370 1.00 63.21 C ATOM 103 OG SER A 9 16.803 -3.218 -11.858 1.00 1.42 O ATOM 0 H SER A 9 14.640 -4.936 -10.808 1.00 63.41 H new ATOM 0 HA SER A 9 13.538 -2.651 -12.072 1.00 5.14 H new ATOM 0 HB2 SER A 9 15.547 -1.634 -11.469 1.00 63.21 H new ATOM 0 HB3 SER A 9 15.476 -2.945 -10.308 1.00 63.21 H new ATOM 0 HG SER A 9 17.541 -2.812 -11.357 1.00 1.42 H new ATOM 109 N GLY A 10 15.269 -2.451 -14.214 1.00 31.14 N ATOM 110 CA GLY A 10 15.654 -2.516 -15.612 1.00 3.22 C ATOM 111 C GLY A 10 16.621 -3.649 -15.894 1.00 31.02 C ATOM 112 O GLY A 10 16.410 -4.440 -16.813 1.00 14.52 O ATOM 0 H GLY A 10 15.422 -1.546 -13.769 1.00 31.14 H new ATOM 0 HA2 GLY A 10 14.762 -2.642 -16.226 1.00 3.22 H new ATOM 0 HA3 GLY A 10 16.111 -1.571 -15.904 1.00 3.22 H new ATOM 116 N GLY A 11 17.686 -3.728 -15.103 1.00 3.32 N ATOM 117 CA GLY A 11 18.674 -4.774 -15.290 1.00 61.11 C ATOM 118 C GLY A 11 18.122 -6.152 -14.984 1.00 62.55 C ATOM 119 O GLY A 11 18.344 -7.098 -15.741 1.00 54.25 O ATOM 0 H GLY A 11 17.882 -3.086 -14.335 1.00 3.32 H new ATOM 0 HA2 GLY A 11 19.034 -4.750 -16.319 1.00 61.11 H new ATOM 0 HA3 GLY A 11 19.532 -4.578 -14.647 1.00 61.11 H new ATOM 123 N GLU A 12 17.404 -6.269 -13.872 1.00 5.54 N ATOM 124 CA GLU A 12 16.823 -7.543 -13.467 1.00 63.34 C ATOM 125 C GLU A 12 15.800 -8.024 -14.493 1.00 44.00 C ATOM 126 O GLU A 12 15.582 -9.226 -14.652 1.00 50.13 O ATOM 127 CB GLU A 12 16.163 -7.415 -12.094 1.00 11.35 C ATOM 128 CG GLU A 12 17.022 -6.691 -11.070 1.00 12.53 C ATOM 129 CD GLU A 12 16.429 -6.733 -9.675 1.00 60.20 C ATOM 130 OE1 GLU A 12 15.603 -5.852 -9.354 1.00 73.42 O ATOM 131 OE2 GLU A 12 16.789 -7.646 -8.905 1.00 25.42 O1- ATOM 0 H GLU A 12 17.211 -5.496 -13.235 1.00 5.54 H new ATOM 0 HA GLU A 12 17.626 -8.277 -13.408 1.00 63.34 H new ATOM 0 HB2 GLU A 12 15.217 -6.884 -12.203 1.00 11.35 H new ATOM 0 HB3 GLU A 12 15.928 -8.411 -11.719 1.00 11.35 H new ATOM 0 HG2 GLU A 12 18.015 -7.140 -11.052 1.00 12.53 H new ATOM 0 HG3 GLU A 12 17.147 -5.652 -11.376 1.00 12.53 H new ATOM 138 N LEU A 13 15.176 -7.077 -15.184 1.00 75.43 N ATOM 139 CA LEU A 13 14.175 -7.403 -16.195 1.00 4.11 C ATOM 140 C LEU A 13 14.817 -8.087 -17.398 1.00 23.11 C ATOM 141 O LEU A 13 14.401 -9.173 -17.802 1.00 20.13 O ATOM 142 CB LEU A 13 13.445 -6.137 -16.644 1.00 52.41 C ATOM 143 CG LEU A 13 12.125 -6.350 -17.386 1.00 72.10 C ATOM 144 CD1 LEU A 13 11.111 -7.037 -16.485 1.00 32.23 C ATOM 145 CD2 LEU A 13 11.578 -5.024 -17.893 1.00 15.41 C ATOM 0 H LEU A 13 15.345 -6.078 -15.064 1.00 75.43 H new ATOM 0 HA LEU A 13 13.457 -8.092 -15.750 1.00 4.11 H new ATOM 0 HB2 LEU A 13 13.249 -5.523 -15.765 1.00 52.41 H new ATOM 0 HB3 LEU A 13 14.113 -5.566 -17.289 1.00 52.41 H new ATOM 0 HG LEU A 13 12.313 -6.995 -18.245 1.00 72.10 H new ATOM 0 HD11 LEU A 13 10.178 -7.180 -17.030 1.00 32.23 H new ATOM 0 HD12 LEU A 13 11.500 -8.006 -16.171 1.00 32.23 H new ATOM 0 HD13 LEU A 13 10.927 -6.418 -15.607 1.00 32.23 H new ATOM 0 HD21 LEU A 13 10.638 -5.195 -18.418 1.00 15.41 H new ATOM 0 HD22 LEU A 13 11.406 -4.355 -17.050 1.00 15.41 H new ATOM 0 HD23 LEU A 13 12.298 -4.570 -18.575 1.00 15.41 H new ATOM 157 N ASP A 14 15.834 -7.446 -17.962 1.00 42.43 N ATOM 158 CA ASP A 14 16.538 -7.994 -19.117 1.00 34.13 C ATOM 159 C ASP A 14 16.985 -9.428 -18.850 1.00 21.20 C ATOM 160 O ASP A 14 16.745 -10.326 -19.658 1.00 42.01 O ATOM 161 CB ASP A 14 17.746 -7.125 -19.464 1.00 44.33 C ATOM 162 CG ASP A 14 17.778 -6.736 -20.929 1.00 42.30 C ATOM 163 OD1 ASP A 14 17.961 -7.633 -21.778 1.00 32.32 O ATOM 164 OD2 ASP A 14 17.619 -5.533 -21.226 1.00 31.22 O1- ATOM 0 H ASP A 14 16.190 -6.546 -17.639 1.00 42.43 H new ATOM 0 HA ASP A 14 15.850 -7.999 -19.963 1.00 34.13 H new ATOM 0 HB2 ASP A 14 17.729 -6.223 -18.852 1.00 44.33 H new ATOM 0 HB3 ASP A 14 18.661 -7.663 -19.214 1.00 44.33 H new ATOM 169 N LYS A 15 17.638 -9.635 -17.711 1.00 61.43 N ATOM 170 CA LYS A 15 18.120 -10.960 -17.337 1.00 24.00 C ATOM 171 C LYS A 15 16.956 -11.915 -17.096 1.00 34.43 C ATOM 172 O LYS A 15 17.005 -13.080 -17.489 1.00 74.34 O ATOM 173 CB LYS A 15 18.990 -10.872 -16.080 1.00 73.14 C ATOM 174 CG LYS A 15 20.341 -10.221 -16.320 1.00 63.12 C ATOM 175 CD LYS A 15 21.343 -10.604 -15.244 1.00 1.30 C ATOM 176 CE LYS A 15 20.897 -10.123 -13.871 1.00 64.44 C ATOM 177 NZ LYS A 15 22.009 -9.474 -13.123 1.00 21.21 N1+ ATOM 0 H LYS A 15 17.845 -8.903 -17.032 1.00 61.43 H new ATOM 0 HA LYS A 15 18.719 -11.347 -18.161 1.00 24.00 H new ATOM 0 HB2 LYS A 15 18.455 -10.308 -15.317 1.00 73.14 H new ATOM 0 HB3 LYS A 15 19.145 -11.876 -15.684 1.00 73.14 H new ATOM 0 HG2 LYS A 15 20.722 -10.520 -17.296 1.00 63.12 H new ATOM 0 HG3 LYS A 15 20.225 -9.137 -16.342 1.00 63.12 H new ATOM 0 HD2 LYS A 15 21.466 -11.687 -15.229 1.00 1.30 H new ATOM 0 HD3 LYS A 15 22.316 -10.175 -15.482 1.00 1.30 H new ATOM 0 HE2 LYS A 15 20.074 -9.417 -13.983 1.00 64.44 H new ATOM 0 HE3 LYS A 15 20.517 -10.967 -13.296 1.00 64.44 H new ATOM 0 HZ1 LYS A 15 21.665 -9.160 -12.193 1.00 21.21 H new ATOM 0 HZ2 LYS A 15 22.784 -10.155 -12.994 1.00 21.21 H new ATOM 0 HZ3 LYS A 15 22.355 -8.653 -13.659 1.00 21.21 H new ATOM 191 N TRP A 16 15.910 -11.414 -16.449 1.00 1.23 N ATOM 192 CA TRP A 16 14.732 -12.223 -16.156 1.00 64.14 C ATOM 193 C TRP A 16 14.162 -12.834 -17.432 1.00 62.13 C ATOM 194 O TRP A 16 13.991 -14.049 -17.526 1.00 1.11 O ATOM 195 CB TRP A 16 13.665 -11.376 -15.461 1.00 1.54 C ATOM 196 CG TRP A 16 12.366 -12.099 -15.267 1.00 41.52 C ATOM 197 CD1 TRP A 16 11.256 -12.013 -16.057 1.00 73.42 C ATOM 198 CD2 TRP A 16 12.043 -13.013 -14.215 1.00 3.33 C ATOM 199 NE1 TRP A 16 10.262 -12.821 -15.559 1.00 15.11 N ATOM 200 CE2 TRP A 16 10.720 -13.446 -14.430 1.00 4.41 C ATOM 201 CE3 TRP A 16 12.744 -13.511 -13.112 1.00 35.23 C ATOM 202 CZ2 TRP A 16 10.086 -14.350 -13.582 1.00 75.15 C ATOM 203 CZ3 TRP A 16 12.112 -14.408 -12.272 1.00 4.31 C ATOM 204 CH2 TRP A 16 10.795 -14.821 -12.510 1.00 55.44 C ATOM 0 H TRP A 16 15.853 -10.451 -16.117 1.00 1.23 H new ATOM 0 HA TRP A 16 15.033 -13.032 -15.490 1.00 64.14 H new ATOM 0 HB2 TRP A 16 14.042 -11.054 -14.490 1.00 1.54 H new ATOM 0 HB3 TRP A 16 13.487 -10.475 -16.048 1.00 1.54 H new ATOM 0 HD1 TRP A 16 11.171 -11.401 -16.943 1.00 73.42 H new ATOM 0 HE1 TRP A 16 9.333 -12.936 -15.965 1.00 15.11 H new ATOM 0 HE3 TRP A 16 13.760 -13.200 -12.920 1.00 35.23 H new ATOM 0 HZ2 TRP A 16 9.070 -14.669 -13.764 1.00 75.15 H new ATOM 0 HZ3 TRP A 16 12.643 -14.798 -11.416 1.00 4.31 H new ATOM 0 HH2 TRP A 16 10.330 -15.524 -11.835 1.00 55.44 H new ATOM 215 N GLU A 17 13.870 -11.983 -18.411 1.00 71.45 N ATOM 216 CA GLU A 17 13.318 -12.442 -19.680 1.00 50.33 C ATOM 217 C GLU A 17 14.270 -13.417 -20.367 1.00 62.15 C ATOM 218 O GLU A 17 13.848 -14.261 -21.160 1.00 3.52 O ATOM 219 CB GLU A 17 13.039 -11.251 -20.601 1.00 3.21 C ATOM 220 CG GLU A 17 11.752 -10.515 -20.271 1.00 20.32 C ATOM 221 CD GLU A 17 11.309 -9.585 -21.384 1.00 65.14 C ATOM 222 OE1 GLU A 17 11.989 -9.548 -22.431 1.00 12.21 O1- ATOM 223 OE2 GLU A 17 10.284 -8.896 -21.208 1.00 2.41 O ATOM 0 H GLU A 17 14.006 -10.974 -18.350 1.00 71.45 H new ATOM 0 HA GLU A 17 12.382 -12.960 -19.473 1.00 50.33 H new ATOM 0 HB2 GLU A 17 13.873 -10.552 -20.540 1.00 3.21 H new ATOM 0 HB3 GLU A 17 12.993 -11.603 -21.632 1.00 3.21 H new ATOM 0 HG2 GLU A 17 10.963 -11.241 -20.074 1.00 20.32 H new ATOM 0 HG3 GLU A 17 11.892 -9.940 -19.356 1.00 20.32 H new ATOM 230 N LYS A 18 15.556 -13.296 -20.057 1.00 70.44 N ATOM 231 CA LYS A 18 16.570 -14.166 -20.643 1.00 13.34 C ATOM 232 C LYS A 18 16.518 -15.557 -20.020 1.00 4.11 C ATOM 233 O LYS A 18 16.507 -16.564 -20.728 1.00 62.30 O ATOM 234 CB LYS A 18 17.963 -13.562 -20.451 1.00 10.32 C ATOM 235 CG LYS A 18 19.053 -14.291 -21.217 1.00 11.32 C ATOM 236 CD LYS A 18 19.735 -15.338 -20.353 1.00 25.33 C ATOM 237 CE LYS A 18 21.240 -15.125 -20.301 1.00 63.01 C ATOM 238 NZ LYS A 18 21.924 -15.703 -21.491 1.00 11.34 N1+ ATOM 0 H LYS A 18 15.921 -12.604 -19.403 1.00 70.44 H new ATOM 0 HA LYS A 18 16.364 -14.256 -21.709 1.00 13.34 H new ATOM 0 HB2 LYS A 18 17.944 -12.519 -20.767 1.00 10.32 H new ATOM 0 HB3 LYS A 18 18.210 -13.569 -19.389 1.00 10.32 H new ATOM 0 HG2 LYS A 18 18.623 -14.768 -22.098 1.00 11.32 H new ATOM 0 HG3 LYS A 18 19.792 -13.573 -21.572 1.00 11.32 H new ATOM 0 HD2 LYS A 18 19.326 -15.300 -19.343 1.00 25.33 H new ATOM 0 HD3 LYS A 18 19.521 -16.332 -20.747 1.00 25.33 H new ATOM 0 HE2 LYS A 18 21.454 -14.058 -20.242 1.00 63.01 H new ATOM 0 HE3 LYS A 18 21.640 -15.581 -19.395 1.00 63.01 H new ATOM 0 HZ1 LYS A 18 22.948 -15.537 -21.418 1.00 11.34 H new ATOM 0 HZ2 LYS A 18 21.741 -16.726 -21.534 1.00 11.34 H new ATOM 0 HZ3 LYS A 18 21.561 -15.250 -22.354 1.00 11.34 H new ATOM 252 N ILE A 19 16.484 -15.605 -18.692 1.00 51.21 N ATOM 253 CA ILE A 19 16.430 -16.873 -17.975 1.00 45.21 C ATOM 254 C ILE A 19 15.301 -17.753 -18.498 1.00 33.34 C ATOM 255 O ILE A 19 14.203 -17.271 -18.776 1.00 41.31 O ATOM 256 CB ILE A 19 16.239 -16.657 -16.462 1.00 3.31 C ATOM 257 CG1 ILE A 19 17.381 -15.809 -15.898 1.00 12.31 C ATOM 258 CG2 ILE A 19 16.160 -17.994 -15.742 1.00 23.03 C ATOM 259 CD1 ILE A 19 16.917 -14.730 -14.944 1.00 50.35 C ATOM 0 H ILE A 19 16.493 -14.781 -18.091 1.00 51.21 H new ATOM 0 HA ILE A 19 17.384 -17.372 -18.145 1.00 45.21 H new ATOM 0 HB ILE A 19 15.302 -16.124 -16.301 1.00 3.31 H new ATOM 0 HG12 ILE A 19 18.086 -16.461 -15.382 1.00 12.31 H new ATOM 0 HG13 ILE A 19 17.921 -15.345 -16.724 1.00 12.31 H new ATOM 0 HG21 ILE A 19 16.025 -17.825 -14.674 1.00 23.03 H new ATOM 0 HG22 ILE A 19 15.316 -18.566 -16.128 1.00 23.03 H new ATOM 0 HG23 ILE A 19 17.082 -18.551 -15.907 1.00 23.03 H new ATOM 0 HD11 ILE A 19 17.779 -14.168 -14.583 1.00 50.35 H new ATOM 0 HD12 ILE A 19 16.235 -14.056 -15.462 1.00 50.35 H new ATOM 0 HD13 ILE A 19 16.403 -15.188 -14.099 1.00 50.35 H new ATOM 271 N ARG A 20 15.578 -19.047 -18.628 1.00 13.40 N ATOM 272 CA ARG A 20 14.584 -19.995 -19.117 1.00 61.34 C ATOM 273 C ARG A 20 13.875 -20.687 -17.956 1.00 53.44 C ATOM 274 O ARG A 20 14.371 -20.697 -16.829 1.00 73.45 O ATOM 275 CB ARG A 20 15.245 -21.039 -20.019 1.00 73.15 C ATOM 276 CG ARG A 20 15.875 -20.450 -21.272 1.00 32.13 C ATOM 277 CD ARG A 20 17.389 -20.386 -21.156 1.00 61.50 C ATOM 278 NE ARG A 20 18.046 -20.589 -22.445 1.00 14.42 N ATOM 279 CZ ARG A 20 19.364 -20.566 -22.610 1.00 31.44 C ATOM 280 NH1 ARG A 20 20.161 -20.352 -21.573 1.00 24.54 N1+ ATOM 281 NH2 ARG A 20 19.886 -20.759 -23.814 1.00 42.22 N ATOM 0 H ARG A 20 16.482 -19.462 -18.402 1.00 13.40 H new ATOM 0 HA ARG A 20 13.844 -19.441 -19.694 1.00 61.34 H new ATOM 0 HB2 ARG A 20 16.011 -21.565 -19.450 1.00 73.15 H new ATOM 0 HB3 ARG A 20 14.500 -21.779 -20.311 1.00 73.15 H new ATOM 0 HG2 ARG A 20 15.600 -21.054 -22.137 1.00 32.13 H new ATOM 0 HG3 ARG A 20 15.479 -19.449 -21.443 1.00 32.13 H new ATOM 0 HD2 ARG A 20 17.681 -19.418 -20.749 1.00 61.50 H new ATOM 0 HD3 ARG A 20 17.731 -21.144 -20.451 1.00 61.50 H new ATOM 0 HE ARG A 20 17.461 -20.758 -23.263 1.00 14.42 H new ATOM 0 HH11 ARG A 20 19.763 -20.205 -20.646 1.00 24.54 H new ATOM 0 HH12 ARG A 20 21.173 -20.335 -21.702 1.00 24.54 H new ATOM 0 HH21 ARG A 20 19.275 -20.925 -24.614 1.00 42.22 H new ATOM 0 HH22 ARG A 20 20.898 -20.741 -23.940 1.00 42.22 H new ATOM 295 N LEU A 21 12.711 -21.262 -18.240 1.00 64.31 N ATOM 296 CA LEU A 21 11.933 -21.956 -17.220 1.00 12.24 C ATOM 297 C LEU A 21 12.521 -23.333 -16.928 1.00 4.52 C ATOM 298 O LEU A 21 12.355 -23.870 -15.833 1.00 35.02 O ATOM 299 CB LEU A 21 10.477 -22.096 -17.669 1.00 62.22 C ATOM 300 CG LEU A 21 9.701 -20.791 -17.845 1.00 51.35 C ATOM 301 CD1 LEU A 21 8.631 -20.946 -18.916 1.00 1.24 C ATOM 302 CD2 LEU A 21 9.079 -20.358 -16.526 1.00 14.12 C ATOM 0 H LEU A 21 12.286 -21.261 -19.167 1.00 64.31 H new ATOM 0 HA LEU A 21 11.970 -21.364 -16.305 1.00 12.24 H new ATOM 0 HB2 LEU A 21 10.460 -22.636 -18.616 1.00 62.22 H new ATOM 0 HB3 LEU A 21 9.951 -22.713 -16.941 1.00 62.22 H new ATOM 0 HG LEU A 21 10.398 -20.017 -18.166 1.00 51.35 H new ATOM 0 HD11 LEU A 21 8.089 -20.007 -19.027 1.00 1.24 H new ATOM 0 HD12 LEU A 21 9.100 -21.209 -19.864 1.00 1.24 H new ATOM 0 HD13 LEU A 21 7.936 -21.734 -18.625 1.00 1.24 H new ATOM 0 HD21 LEU A 21 8.531 -19.427 -16.671 1.00 14.12 H new ATOM 0 HD22 LEU A 21 8.396 -21.131 -16.175 1.00 14.12 H new ATOM 0 HD23 LEU A 21 9.865 -20.205 -15.786 1.00 14.12 H new ATOM 314 N ARG A 22 13.213 -23.896 -17.913 1.00 73.04 N ATOM 315 CA ARG A 22 13.827 -25.209 -17.761 1.00 65.41 C ATOM 316 C ARG A 22 15.224 -25.231 -18.376 1.00 73.01 C ATOM 317 O ARG A 22 15.572 -24.399 -19.215 1.00 23.25 O ATOM 318 CB ARG A 22 12.954 -26.283 -18.415 1.00 4.42 C ATOM 319 CG ARG A 22 12.198 -27.145 -17.415 1.00 45.33 C ATOM 320 CD ARG A 22 10.897 -26.487 -16.985 1.00 64.52 C ATOM 321 NE ARG A 22 9.769 -27.413 -17.050 1.00 51.24 N ATOM 322 CZ ARG A 22 8.504 -27.041 -16.887 1.00 63.43 C ATOM 323 NH1 ARG A 22 8.207 -25.771 -16.651 1.00 43.14 N1+ ATOM 324 NH2 ARG A 22 7.532 -27.942 -16.961 1.00 61.22 N ATOM 0 H ARG A 22 13.362 -23.463 -18.825 1.00 73.04 H new ATOM 0 HA ARG A 22 13.914 -25.420 -16.695 1.00 65.41 H new ATOM 0 HB2 ARG A 22 12.238 -25.802 -19.081 1.00 4.42 H new ATOM 0 HB3 ARG A 22 13.583 -26.924 -19.033 1.00 4.42 H new ATOM 0 HG2 ARG A 22 11.986 -28.118 -17.859 1.00 45.33 H new ATOM 0 HG3 ARG A 22 12.824 -27.323 -16.540 1.00 45.33 H new ATOM 0 HD2 ARG A 22 11.000 -26.111 -15.967 1.00 64.52 H new ATOM 0 HD3 ARG A 22 10.697 -25.627 -17.624 1.00 64.52 H new ATOM 0 HE ARG A 22 9.963 -28.398 -17.230 1.00 51.24 H new ATOM 0 HH11 ARG A 22 8.951 -25.075 -16.594 1.00 43.14 H new ATOM 0 HH12 ARG A 22 7.235 -25.489 -16.526 1.00 43.14 H new ATOM 0 HH21 ARG A 22 7.756 -28.920 -17.143 1.00 61.22 H new ATOM 0 HH22 ARG A 22 6.561 -27.656 -16.836 1.00 61.22 H new ATOM 338 N PRO A 23 16.043 -26.204 -17.950 1.00 53.45 N ATOM 339 CA PRO A 23 17.414 -26.357 -18.446 1.00 41.52 C ATOM 340 C PRO A 23 17.457 -26.821 -19.899 1.00 3.25 C ATOM 341 O PRO A 23 18.341 -26.429 -20.659 1.00 4.11 O ATOM 342 CB PRO A 23 18.007 -27.425 -17.525 1.00 32.15 C ATOM 343 CG PRO A 23 16.833 -28.207 -17.047 1.00 32.30 C ATOM 344 CD PRO A 23 15.694 -27.229 -16.953 1.00 54.41 C ATOM 0 HA PRO A 23 17.960 -25.414 -18.434 1.00 41.52 H new ATOM 0 HB2 PRO A 23 18.715 -28.059 -18.059 1.00 32.15 H new ATOM 0 HB3 PRO A 23 18.548 -26.974 -16.693 1.00 32.15 H new ATOM 0 HG2 PRO A 23 16.596 -29.017 -17.737 1.00 32.30 H new ATOM 0 HG3 PRO A 23 17.036 -28.663 -16.078 1.00 32.30 H new ATOM 0 HD2 PRO A 23 14.738 -27.702 -17.180 1.00 54.41 H new ATOM 0 HD3 PRO A 23 15.610 -26.805 -15.953 1.00 54.41 H new ATOM 352 N GLY A 24 16.496 -27.657 -20.276 1.00 32.23 N ATOM 353 CA GLY A 24 16.443 -28.161 -21.636 1.00 54.21 C ATOM 354 C GLY A 24 15.242 -27.639 -22.401 1.00 1.10 C ATOM 355 O GLY A 24 14.841 -28.218 -23.410 1.00 5.21 O ATOM 0 H GLY A 24 15.753 -27.995 -19.664 1.00 32.23 H new ATOM 0 HA2 GLY A 24 17.355 -27.878 -22.161 1.00 54.21 H new ATOM 0 HA3 GLY A 24 16.412 -29.250 -21.616 1.00 54.21 H new ATOM 359 N GLY A 25 14.666 -26.542 -21.918 1.00 73.43 N ATOM 360 CA GLY A 25 13.509 -25.962 -22.575 1.00 60.14 C ATOM 361 C GLY A 25 13.853 -24.711 -23.359 1.00 24.24 C ATOM 362 O GLY A 25 14.992 -24.246 -23.331 1.00 45.41 O ATOM 0 H GLY A 25 14.980 -26.045 -21.084 1.00 73.43 H new ATOM 0 HA2 GLY A 25 13.070 -26.699 -23.247 1.00 60.14 H new ATOM 0 HA3 GLY A 25 12.753 -25.722 -21.827 1.00 60.14 H new ATOM 366 N LYS A 26 12.867 -24.165 -24.062 1.00 21.21 N ATOM 367 CA LYS A 26 13.070 -22.961 -24.858 1.00 50.15 C ATOM 368 C LYS A 26 12.224 -21.808 -24.326 1.00 71.44 C ATOM 369 O LYS A 26 12.565 -20.639 -24.509 1.00 62.51 O ATOM 370 CB LYS A 26 12.722 -23.229 -26.324 1.00 43.15 C ATOM 371 CG LYS A 26 13.830 -22.849 -27.291 1.00 60.45 C ATOM 372 CD LYS A 26 13.272 -22.416 -28.637 1.00 35.34 C ATOM 373 CE LYS A 26 14.159 -21.375 -29.300 1.00 3.34 C ATOM 374 NZ LYS A 26 14.732 -21.869 -30.583 1.00 20.35 N1+ ATOM 0 H LYS A 26 11.918 -24.538 -24.097 1.00 21.21 H new ATOM 0 HA LYS A 26 14.121 -22.681 -24.786 1.00 50.15 H new ATOM 0 HB2 LYS A 26 12.491 -24.287 -26.446 1.00 43.15 H new ATOM 0 HB3 LYS A 26 11.820 -22.674 -26.582 1.00 43.15 H new ATOM 0 HG2 LYS A 26 14.424 -22.040 -26.865 1.00 60.45 H new ATOM 0 HG3 LYS A 26 14.500 -23.698 -27.430 1.00 60.45 H new ATOM 0 HD2 LYS A 26 13.178 -23.284 -29.289 1.00 35.34 H new ATOM 0 HD3 LYS A 26 12.270 -22.009 -28.502 1.00 35.34 H new ATOM 0 HE2 LYS A 26 13.580 -20.470 -29.485 1.00 3.34 H new ATOM 0 HE3 LYS A 26 14.968 -21.103 -28.622 1.00 3.34 H new ATOM 0 HZ1 LYS A 26 15.331 -21.130 -31.003 1.00 20.35 H new ATOM 0 HZ2 LYS A 26 15.305 -22.718 -30.403 1.00 20.35 H new ATOM 0 HZ3 LYS A 26 13.961 -22.105 -31.240 1.00 20.35 H new ATOM 388 N LYS A 27 11.121 -22.145 -23.668 1.00 5.31 N ATOM 389 CA LYS A 27 10.227 -21.139 -23.106 1.00 45.02 C ATOM 390 C LYS A 27 10.960 -20.267 -22.091 1.00 33.24 C ATOM 391 O LYS A 27 11.273 -20.715 -20.988 1.00 52.12 O ATOM 392 CB LYS A 27 9.022 -21.811 -22.444 1.00 3.51 C ATOM 393 CG LYS A 27 8.049 -22.426 -23.434 1.00 53.21 C ATOM 394 CD LYS A 27 8.080 -23.943 -23.377 1.00 32.12 C ATOM 395 CE LYS A 27 7.205 -24.560 -24.458 1.00 41.23 C ATOM 396 NZ LYS A 27 5.773 -24.608 -24.053 1.00 61.24 N1+ ATOM 0 H LYS A 27 10.824 -23.108 -23.510 1.00 5.31 H new ATOM 0 HA LYS A 27 9.878 -20.503 -23.919 1.00 45.02 H new ATOM 0 HB2 LYS A 27 9.377 -22.587 -21.766 1.00 3.51 H new ATOM 0 HB3 LYS A 27 8.494 -21.075 -21.838 1.00 3.51 H new ATOM 0 HG2 LYS A 27 7.040 -22.074 -23.220 1.00 53.21 H new ATOM 0 HG3 LYS A 27 8.296 -22.094 -24.442 1.00 53.21 H new ATOM 0 HD2 LYS A 27 9.106 -24.292 -23.495 1.00 32.12 H new ATOM 0 HD3 LYS A 27 7.740 -24.278 -22.397 1.00 32.12 H new ATOM 0 HE2 LYS A 27 7.303 -23.983 -25.378 1.00 41.23 H new ATOM 0 HE3 LYS A 27 7.555 -25.569 -24.676 1.00 41.23 H new ATOM 0 HZ1 LYS A 27 5.210 -25.035 -24.816 1.00 61.24 H new ATOM 0 HZ2 LYS A 27 5.675 -25.180 -23.190 1.00 61.24 H new ATOM 0 HZ3 LYS A 27 5.432 -23.643 -23.870 1.00 61.24 H new ATOM 410 N GLN A 28 11.226 -19.022 -22.470 1.00 22.02 N ATOM 411 CA GLN A 28 11.920 -18.089 -21.590 1.00 53.44 C ATOM 412 C GLN A 28 10.992 -17.583 -20.491 1.00 35.11 C ATOM 413 O GLN A 28 9.793 -17.865 -20.499 1.00 23.21 O ATOM 414 CB GLN A 28 12.467 -16.908 -22.395 1.00 55.21 C ATOM 415 CG GLN A 28 13.164 -17.319 -23.682 1.00 14.11 C ATOM 416 CD GLN A 28 13.939 -16.181 -24.316 1.00 12.43 C ATOM 417 OE1 GLN A 28 13.374 -15.352 -25.029 1.00 52.33 O ATOM 418 NE2 GLN A 28 15.240 -16.135 -24.057 1.00 61.10 N ATOM 0 H GLN A 28 10.972 -18.636 -23.379 1.00 22.02 H new ATOM 0 HA GLN A 28 12.750 -18.619 -21.123 1.00 53.44 H new ATOM 0 HB2 GLN A 28 11.646 -16.232 -22.636 1.00 55.21 H new ATOM 0 HB3 GLN A 28 13.168 -16.350 -21.774 1.00 55.21 H new ATOM 0 HG2 GLN A 28 13.844 -18.145 -23.474 1.00 14.11 H new ATOM 0 HG3 GLN A 28 12.422 -17.687 -24.391 1.00 14.11 H new ATOM 0 HE21 GLN A 28 15.667 -16.844 -23.460 1.00 61.10 H new ATOM 0 HE22 GLN A 28 15.813 -15.391 -24.455 1.00 61.10 H new ATOM 427 N TYR A 29 11.552 -16.835 -19.547 1.00 61.54 N ATOM 428 CA TYR A 29 10.774 -16.293 -18.439 1.00 45.14 C ATOM 429 C TYR A 29 10.056 -15.012 -18.854 1.00 25.30 C ATOM 430 O TYR A 29 10.525 -14.275 -19.722 1.00 20.11 O ATOM 431 CB TYR A 29 11.682 -16.016 -17.239 1.00 73.42 C ATOM 432 CG TYR A 29 11.610 -17.081 -16.169 1.00 62.41 C ATOM 433 CD1 TYR A 29 10.551 -17.121 -15.269 1.00 52.53 C ATOM 434 CD2 TYR A 29 12.601 -18.049 -16.055 1.00 43.22 C ATOM 435 CE1 TYR A 29 10.482 -18.091 -14.290 1.00 1.15 C ATOM 436 CE2 TYR A 29 12.539 -19.024 -15.079 1.00 2.25 C ATOM 437 CZ TYR A 29 11.478 -19.041 -14.198 1.00 54.42 C ATOM 438 OH TYR A 29 11.414 -20.010 -13.224 1.00 11.53 O ATOM 0 H TYR A 29 12.542 -16.590 -19.527 1.00 61.54 H new ATOM 0 HA TYR A 29 10.025 -17.033 -18.157 1.00 45.14 H new ATOM 0 HB2 TYR A 29 12.712 -15.929 -17.585 1.00 73.42 H new ATOM 0 HB3 TYR A 29 11.411 -15.055 -16.802 1.00 73.42 H new ATOM 0 HD1 TYR A 29 9.769 -16.380 -15.337 1.00 52.53 H new ATOM 0 HD2 TYR A 29 13.434 -18.038 -16.742 1.00 43.22 H new ATOM 0 HE1 TYR A 29 9.652 -18.106 -13.599 1.00 1.15 H new ATOM 0 HE2 TYR A 29 13.317 -19.769 -15.006 1.00 2.25 H new ATOM 0 HH TYR A 29 12.059 -20.720 -13.426 1.00 11.53 H new ATOM 448 N LYS A 30 8.914 -14.753 -18.226 1.00 5.42 N ATOM 449 CA LYS A 30 8.130 -13.561 -18.524 1.00 42.25 C ATOM 450 C LYS A 30 7.315 -13.126 -17.311 1.00 31.24 C ATOM 451 O LYS A 30 7.217 -13.856 -16.323 1.00 34.33 O ATOM 452 CB LYS A 30 7.198 -13.823 -19.710 1.00 10.02 C ATOM 453 CG LYS A 30 7.726 -13.285 -21.029 1.00 11.22 C ATOM 454 CD LYS A 30 6.621 -12.649 -21.854 1.00 71.12 C ATOM 455 CE LYS A 30 6.861 -11.160 -22.055 1.00 0.14 C ATOM 456 NZ LYS A 30 5.630 -10.456 -22.510 1.00 22.33 N1+ ATOM 0 H LYS A 30 8.511 -15.354 -17.507 1.00 5.42 H new ATOM 0 HA LYS A 30 8.821 -12.758 -18.781 1.00 42.25 H new ATOM 0 HB2 LYS A 30 7.036 -14.897 -19.804 1.00 10.02 H new ATOM 0 HB3 LYS A 30 6.227 -13.371 -19.505 1.00 10.02 H new ATOM 0 HG2 LYS A 30 8.507 -12.549 -20.836 1.00 11.22 H new ATOM 0 HG3 LYS A 30 8.184 -14.095 -21.596 1.00 11.22 H new ATOM 0 HD2 LYS A 30 6.560 -13.143 -22.824 1.00 71.12 H new ATOM 0 HD3 LYS A 30 5.662 -12.800 -21.358 1.00 71.12 H new ATOM 0 HE2 LYS A 30 7.207 -10.719 -21.120 1.00 0.14 H new ATOM 0 HE3 LYS A 30 7.654 -11.016 -22.789 1.00 0.14 H new ATOM 0 HZ1 LYS A 30 5.835 -9.444 -22.635 1.00 22.33 H new ATOM 0 HZ2 LYS A 30 5.313 -10.860 -23.415 1.00 22.33 H new ATOM 0 HZ3 LYS A 30 4.881 -10.572 -21.798 1.00 22.33 H new ATOM 470 N LEU A 31 6.732 -11.935 -17.391 1.00 23.24 N ATOM 471 CA LEU A 31 5.924 -11.404 -16.298 1.00 73.51 C ATOM 472 C LEU A 31 4.822 -12.385 -15.909 1.00 61.21 C ATOM 473 O LEU A 31 4.368 -12.404 -14.766 1.00 34.22 O ATOM 474 CB LEU A 31 5.309 -10.062 -16.697 1.00 53.14 C ATOM 475 CG LEU A 31 5.785 -8.844 -15.906 1.00 2.34 C ATOM 476 CD1 LEU A 31 5.360 -8.955 -14.450 1.00 32.12 C ATOM 477 CD2 LEU A 31 7.295 -8.696 -16.012 1.00 52.42 C ATOM 0 H LEU A 31 6.803 -11.319 -18.201 1.00 23.24 H new ATOM 0 HA LEU A 31 6.575 -11.257 -15.436 1.00 73.51 H new ATOM 0 HB2 LEU A 31 5.518 -9.889 -17.753 1.00 53.14 H new ATOM 0 HB3 LEU A 31 4.226 -10.136 -16.594 1.00 53.14 H new ATOM 0 HG LEU A 31 5.322 -7.954 -16.332 1.00 2.34 H new ATOM 0 HD11 LEU A 31 5.707 -8.079 -13.902 1.00 32.12 H new ATOM 0 HD12 LEU A 31 4.273 -9.012 -14.392 1.00 32.12 H new ATOM 0 HD13 LEU A 31 5.795 -9.853 -14.012 1.00 32.12 H new ATOM 0 HD21 LEU A 31 7.616 -7.824 -15.443 1.00 52.42 H new ATOM 0 HD22 LEU A 31 7.777 -9.588 -15.612 1.00 52.42 H new ATOM 0 HD23 LEU A 31 7.576 -8.570 -17.058 1.00 52.42 H new ATOM 489 N LYS A 32 4.397 -13.201 -16.869 1.00 43.05 N ATOM 490 CA LYS A 32 3.351 -14.188 -16.628 1.00 45.32 C ATOM 491 C LYS A 32 3.680 -15.041 -15.407 1.00 33.54 C ATOM 492 O LYS A 32 2.783 -15.514 -14.708 1.00 14.23 O ATOM 493 CB LYS A 32 3.173 -15.083 -17.857 1.00 24.01 C ATOM 494 CG LYS A 32 1.817 -15.764 -17.921 1.00 71.12 C ATOM 495 CD LYS A 32 1.942 -17.270 -17.759 1.00 33.14 C ATOM 496 CE LYS A 32 2.084 -17.966 -19.104 1.00 75.32 C ATOM 497 NZ LYS A 32 1.296 -19.228 -19.161 1.00 71.31 N1+ ATOM 0 H LYS A 32 4.762 -13.198 -17.822 1.00 43.05 H new ATOM 0 HA LYS A 32 2.419 -13.655 -16.437 1.00 45.32 H new ATOM 0 HB2 LYS A 32 3.312 -14.483 -18.756 1.00 24.01 H new ATOM 0 HB3 LYS A 32 3.953 -15.844 -17.858 1.00 24.01 H new ATOM 0 HG2 LYS A 32 1.171 -15.365 -17.139 1.00 71.12 H new ATOM 0 HG3 LYS A 32 1.340 -15.538 -18.875 1.00 71.12 H new ATOM 0 HD2 LYS A 32 2.807 -17.499 -17.136 1.00 33.14 H new ATOM 0 HD3 LYS A 32 1.064 -17.655 -17.240 1.00 33.14 H new ATOM 0 HE2 LYS A 32 1.753 -17.295 -19.897 1.00 75.32 H new ATOM 0 HE3 LYS A 32 3.135 -18.186 -19.290 1.00 75.32 H new ATOM 0 HZ1 LYS A 32 1.419 -19.672 -20.093 1.00 71.31 H new ATOM 0 HZ2 LYS A 32 1.628 -19.879 -18.421 1.00 71.31 H new ATOM 0 HZ3 LYS A 32 0.289 -19.016 -19.009 1.00 71.31 H new ATOM 511 N HIS A 33 4.971 -15.235 -15.155 1.00 53.35 N ATOM 512 CA HIS A 33 5.418 -16.030 -14.017 1.00 32.23 C ATOM 513 C HIS A 33 5.509 -15.172 -12.758 1.00 73.13 C ATOM 514 O HIS A 33 5.280 -15.723 -11.681 1.00 15.31 O ATOM 515 CB HIS A 33 6.776 -16.666 -14.313 1.00 41.34 C ATOM 516 CG HIS A 33 6.845 -17.335 -15.652 1.00 21.35 C ATOM 517 ND1 HIS A 33 7.706 -16.934 -16.651 1.00 73.53 N ATOM 518 CD2 HIS A 33 6.154 -18.386 -16.152 1.00 10.50 C ATOM 519 CE1 HIS A 33 7.540 -17.708 -17.709 1.00 24.13 C ATOM 520 NE2 HIS A 33 6.604 -18.599 -17.431 1.00 51.52 N ATOM 0 H HIS A 33 5.726 -14.852 -15.724 1.00 53.35 H new ATOM 0 HA HIS A 33 4.686 -16.819 -13.847 1.00 32.23 H new ATOM 0 HB2 HIS A 33 7.547 -15.898 -14.260 1.00 41.34 H new ATOM 0 HB3 HIS A 33 7.002 -17.398 -13.538 1.00 41.34 H new ATOM 0 HD2 HIS A 33 5.390 -18.952 -15.640 1.00 10.50 H new ATOM 0 HE1 HIS A 33 8.078 -17.627 -18.642 1.00 24.13 H new ATOM 0 HE2 HIS A 33 6.271 -19.326 -18.064 1.00 51.52 H new ATOM 528 N ILE A 34 5.825 -13.886 -12.861 1.00 13.41 N ATOM 529 CA ILE A 34 5.923 -13.028 -11.687 1.00 11.30 C ATOM 530 C ILE A 34 4.541 -12.688 -11.137 1.00 41.25 C ATOM 531 O ILE A 34 4.346 -12.605 -9.924 1.00 54.13 O ATOM 532 CB ILE A 34 6.671 -11.720 -12.006 1.00 2.55 C ATOM 533 CG1 ILE A 34 7.994 -12.023 -12.711 1.00 60.20 C ATOM 534 CG2 ILE A 34 6.914 -10.924 -10.732 1.00 61.20 C ATOM 535 CD1 ILE A 34 8.741 -10.785 -13.153 1.00 51.14 C ATOM 0 H ILE A 34 6.018 -13.415 -13.745 1.00 13.41 H new ATOM 0 HA ILE A 34 6.484 -13.584 -10.936 1.00 11.30 H new ATOM 0 HB ILE A 34 6.054 -11.120 -12.674 1.00 2.55 H new ATOM 0 HG12 ILE A 34 8.630 -12.601 -12.040 1.00 60.20 H new ATOM 0 HG13 ILE A 34 7.797 -12.649 -13.581 1.00 60.20 H new ATOM 0 HG21 ILE A 34 7.444 -10.003 -10.974 1.00 61.20 H new ATOM 0 HG22 ILE A 34 5.959 -10.682 -10.266 1.00 61.20 H new ATOM 0 HG23 ILE A 34 7.514 -11.517 -10.042 1.00 61.20 H new ATOM 0 HD11 ILE A 34 9.669 -11.076 -13.645 1.00 51.14 H new ATOM 0 HD12 ILE A 34 8.124 -10.217 -13.849 1.00 51.14 H new ATOM 0 HD13 ILE A 34 8.969 -10.168 -12.284 1.00 51.14 H new ATOM 547 N VAL A 35 3.583 -12.494 -12.038 1.00 60.33 N ATOM 548 CA VAL A 35 2.218 -12.166 -11.646 1.00 3.14 C ATOM 549 C VAL A 35 1.508 -13.383 -11.063 1.00 32.22 C ATOM 550 O VAL A 35 0.732 -13.266 -10.115 1.00 10.13 O ATOM 551 CB VAL A 35 1.403 -11.630 -12.838 1.00 24.44 C ATOM 552 CG1 VAL A 35 -0.025 -11.324 -12.413 1.00 41.43 C ATOM 553 CG2 VAL A 35 2.071 -10.398 -13.428 1.00 3.04 C ATOM 0 H VAL A 35 3.728 -12.559 -13.046 1.00 60.33 H new ATOM 0 HA VAL A 35 2.285 -11.388 -10.885 1.00 3.14 H new ATOM 0 HB VAL A 35 1.369 -12.399 -13.609 1.00 24.44 H new ATOM 0 HG11 VAL A 35 -0.586 -10.946 -13.268 1.00 41.43 H new ATOM 0 HG12 VAL A 35 -0.497 -12.234 -12.042 1.00 41.43 H new ATOM 0 HG13 VAL A 35 -0.017 -10.572 -11.624 1.00 41.43 H new ATOM 0 HG21 VAL A 35 1.482 -10.032 -14.269 1.00 3.04 H new ATOM 0 HG22 VAL A 35 2.138 -9.621 -12.667 1.00 3.04 H new ATOM 0 HG23 VAL A 35 3.073 -10.657 -13.772 1.00 3.04 H new ATOM 563 N TRP A 36 1.777 -14.550 -11.637 1.00 55.12 N ATOM 564 CA TRP A 36 1.164 -15.789 -11.175 1.00 13.24 C ATOM 565 C TRP A 36 1.580 -16.101 -9.742 1.00 73.52 C ATOM 566 O TRP A 36 0.735 -16.345 -8.880 1.00 43.05 O ATOM 567 CB TRP A 36 1.550 -16.948 -12.096 1.00 22.11 C ATOM 568 CG TRP A 36 1.001 -18.270 -11.649 1.00 53.13 C ATOM 569 CD1 TRP A 36 -0.279 -18.718 -11.800 1.00 32.13 C ATOM 570 CD2 TRP A 36 1.718 -19.312 -10.977 1.00 74.13 C ATOM 571 NE1 TRP A 36 -0.403 -19.976 -11.262 1.00 73.42 N ATOM 572 CE2 TRP A 36 0.808 -20.364 -10.752 1.00 53.35 C ATOM 573 CE3 TRP A 36 3.038 -19.460 -10.547 1.00 5.34 C ATOM 574 CZ2 TRP A 36 1.179 -21.544 -10.114 1.00 51.41 C ATOM 575 CZ3 TRP A 36 3.405 -20.632 -9.913 1.00 11.51 C ATOM 576 CH2 TRP A 36 2.479 -21.662 -9.702 1.00 1.11 C ATOM 0 H TRP A 36 2.416 -14.664 -12.424 1.00 55.12 H new ATOM 0 HA TRP A 36 0.082 -15.661 -11.199 1.00 13.24 H new ATOM 0 HB2 TRP A 36 1.193 -16.736 -13.104 1.00 22.11 H new ATOM 0 HB3 TRP A 36 2.637 -17.013 -12.150 1.00 22.11 H new ATOM 0 HD1 TRP A 36 -1.077 -18.165 -12.273 1.00 32.13 H new ATOM 0 HE1 TRP A 36 -1.258 -20.531 -11.245 1.00 73.42 H new ATOM 0 HE3 TRP A 36 3.760 -18.673 -10.707 1.00 5.34 H new ATOM 0 HZ2 TRP A 36 0.466 -22.339 -9.950 1.00 51.41 H new ATOM 0 HZ3 TRP A 36 4.423 -20.756 -9.574 1.00 11.51 H new ATOM 0 HH2 TRP A 36 2.797 -22.566 -9.205 1.00 1.11 H new ATOM 587 N ALA A 37 2.886 -16.091 -9.494 1.00 31.43 N ATOM 588 CA ALA A 37 3.412 -16.372 -8.164 1.00 45.44 C ATOM 589 C ALA A 37 2.889 -15.368 -7.143 1.00 54.31 C ATOM 590 O ALA A 37 2.819 -15.660 -5.950 1.00 11.03 O ATOM 591 CB ALA A 37 4.934 -16.360 -8.187 1.00 14.53 C ATOM 0 H ALA A 37 3.598 -15.891 -10.196 1.00 31.43 H new ATOM 0 HA ALA A 37 3.071 -17.363 -7.866 1.00 45.44 H new ATOM 0 HB1 ALA A 37 5.315 -16.571 -7.188 1.00 14.53 H new ATOM 0 HB2 ALA A 37 5.293 -17.120 -8.880 1.00 14.53 H new ATOM 0 HB3 ALA A 37 5.285 -15.380 -8.509 1.00 14.53 H new ATOM 597 N SER A 38 2.522 -14.182 -7.620 1.00 51.35 N ATOM 598 CA SER A 38 2.008 -13.133 -6.748 1.00 45.52 C ATOM 599 C SER A 38 0.637 -13.509 -6.195 1.00 12.41 C ATOM 600 O SER A 38 0.363 -13.327 -5.008 1.00 71.33 O ATOM 601 CB SER A 38 1.919 -11.808 -7.507 1.00 44.51 C ATOM 602 OG SER A 38 0.761 -11.081 -7.132 1.00 44.21 O ATOM 0 H SER A 38 2.571 -13.924 -8.606 1.00 51.35 H new ATOM 0 HA SER A 38 2.698 -13.019 -5.912 1.00 45.52 H new ATOM 0 HB2 SER A 38 2.808 -11.210 -7.306 1.00 44.51 H new ATOM 0 HB3 SER A 38 1.900 -12.001 -8.580 1.00 44.51 H new ATOM 0 HG SER A 38 0.729 -10.238 -7.630 1.00 44.21 H new ATOM 608 N ARG A 39 -0.221 -14.032 -7.065 1.00 14.34 N ATOM 609 CA ARG A 39 -1.565 -14.432 -6.665 1.00 5.43 C ATOM 610 C ARG A 39 -1.528 -15.719 -5.847 1.00 64.41 C ATOM 611 O ARG A 39 -2.336 -15.913 -4.940 1.00 1.22 O ATOM 612 CB ARG A 39 -2.451 -14.623 -7.898 1.00 31.14 C ATOM 613 CG ARG A 39 -3.246 -13.383 -8.273 1.00 71.33 C ATOM 614 CD ARG A 39 -3.460 -13.295 -9.777 1.00 55.20 C ATOM 615 NE ARG A 39 -4.860 -13.054 -10.117 1.00 40.40 N ATOM 616 CZ ARG A 39 -5.340 -13.133 -11.353 1.00 3.03 C ATOM 617 NH1 ARG A 39 -4.537 -13.447 -12.360 1.00 73.31 N1+ ATOM 618 NH2 ARG A 39 -6.626 -12.900 -11.582 1.00 61.14 N ATOM 0 H ARG A 39 -0.010 -14.189 -8.051 1.00 14.34 H new ATOM 0 HA ARG A 39 -1.984 -13.640 -6.044 1.00 5.43 H new ATOM 0 HB2 ARG A 39 -1.826 -14.913 -8.743 1.00 31.14 H new ATOM 0 HB3 ARG A 39 -3.142 -15.446 -7.715 1.00 31.14 H new ATOM 0 HG2 ARG A 39 -4.211 -13.401 -7.767 1.00 71.33 H new ATOM 0 HG3 ARG A 39 -2.721 -12.493 -7.926 1.00 71.33 H new ATOM 0 HD2 ARG A 39 -2.845 -12.493 -10.184 1.00 55.20 H new ATOM 0 HD3 ARG A 39 -3.127 -14.221 -10.245 1.00 55.20 H new ATOM 0 HE ARG A 39 -5.504 -12.812 -9.364 1.00 40.40 H new ATOM 0 HH11 ARG A 39 -3.548 -13.629 -12.186 1.00 73.31 H new ATOM 0 HH12 ARG A 39 -4.908 -13.507 -13.308 1.00 73.31 H new ATOM 0 HH21 ARG A 39 -7.246 -12.660 -10.809 1.00 61.14 H new ATOM 0 HH22 ARG A 39 -6.994 -12.961 -12.531 1.00 61.14 H new ATOM 632 N GLU A 40 -0.584 -16.597 -6.176 1.00 13.33 N ATOM 633 CA GLU A 40 -0.444 -17.866 -5.473 1.00 31.21 C ATOM 634 C GLU A 40 0.211 -17.663 -4.109 1.00 31.31 C ATOM 635 O GLU A 40 0.006 -18.452 -3.186 1.00 4.11 O ATOM 636 CB GLU A 40 0.382 -18.848 -6.306 1.00 40.44 C ATOM 637 CG GLU A 40 -0.049 -20.296 -6.146 1.00 1.31 C ATOM 638 CD GLU A 40 -1.188 -20.670 -7.074 1.00 74.53 C ATOM 639 OE1 GLU A 40 -0.954 -20.744 -8.299 1.00 70.10 O ATOM 640 OE2 GLU A 40 -2.312 -20.890 -6.578 1.00 21.14 O1- ATOM 0 H GLU A 40 0.094 -16.452 -6.924 1.00 13.33 H new ATOM 0 HA GLU A 40 -1.441 -18.279 -5.321 1.00 31.21 H new ATOM 0 HB2 GLU A 40 0.309 -18.570 -7.357 1.00 40.44 H new ATOM 0 HB3 GLU A 40 1.431 -18.757 -6.025 1.00 40.44 H new ATOM 0 HG2 GLU A 40 0.802 -20.948 -6.340 1.00 1.31 H new ATOM 0 HG3 GLU A 40 -0.354 -20.469 -5.114 1.00 1.31 H new ATOM 647 N LEU A 41 0.999 -16.600 -3.990 1.00 55.22 N ATOM 648 CA LEU A 41 1.684 -16.292 -2.740 1.00 2.21 C ATOM 649 C LEU A 41 0.699 -15.801 -1.685 1.00 54.20 C ATOM 650 O LEU A 41 0.647 -16.330 -0.576 1.00 24.44 O ATOM 651 CB LEU A 41 2.765 -15.235 -2.975 1.00 71.23 C ATOM 652 CG LEU A 41 4.188 -15.763 -3.168 1.00 14.11 C ATOM 653 CD1 LEU A 41 5.150 -14.616 -3.438 1.00 34.32 C ATOM 654 CD2 LEU A 41 4.632 -16.558 -1.949 1.00 11.15 C ATOM 0 H LEU A 41 1.179 -15.937 -4.744 1.00 55.22 H new ATOM 0 HA LEU A 41 2.151 -17.207 -2.376 1.00 2.21 H new ATOM 0 HB2 LEU A 41 2.492 -14.654 -3.856 1.00 71.23 H new ATOM 0 HB3 LEU A 41 2.765 -14.549 -2.128 1.00 71.23 H new ATOM 0 HG LEU A 41 4.195 -16.427 -4.032 1.00 14.11 H new ATOM 0 HD11 LEU A 41 6.157 -15.010 -3.573 1.00 34.32 H new ATOM 0 HD12 LEU A 41 4.843 -14.088 -4.341 1.00 34.32 H new ATOM 0 HD13 LEU A 41 5.140 -13.926 -2.594 1.00 34.32 H new ATOM 0 HD21 LEU A 41 5.646 -16.926 -2.104 1.00 11.15 H new ATOM 0 HD22 LEU A 41 4.609 -15.916 -1.068 1.00 11.15 H new ATOM 0 HD23 LEU A 41 3.959 -17.402 -1.800 1.00 11.15 H new ATOM 666 N GLU A 42 -0.084 -14.786 -2.040 1.00 43.55 N ATOM 667 CA GLU A 42 -1.069 -14.225 -1.123 1.00 12.33 C ATOM 668 C GLU A 42 -2.009 -15.309 -0.604 1.00 24.04 C ATOM 669 O GLU A 42 -2.563 -15.194 0.490 1.00 60.14 O ATOM 670 CB GLU A 42 -1.876 -13.125 -1.816 1.00 72.42 C ATOM 671 CG GLU A 42 -2.807 -12.372 -0.882 1.00 41.31 C ATOM 672 CD GLU A 42 -4.144 -12.054 -1.522 1.00 34.24 C ATOM 673 OE1 GLU A 42 -4.169 -11.246 -2.474 1.00 61.20 O ATOM 674 OE2 GLU A 42 -5.167 -12.613 -1.072 1.00 4.44 O1- ATOM 0 H GLU A 42 -0.055 -14.336 -2.955 1.00 43.55 H new ATOM 0 HA GLU A 42 -0.535 -13.795 -0.276 1.00 12.33 H new ATOM 0 HB2 GLU A 42 -1.187 -12.417 -2.277 1.00 72.42 H new ATOM 0 HB3 GLU A 42 -2.463 -13.569 -2.620 1.00 72.42 H new ATOM 0 HG2 GLU A 42 -2.971 -12.965 0.017 1.00 41.31 H new ATOM 0 HG3 GLU A 42 -2.329 -11.444 -0.569 1.00 41.31 H new ATOM 681 N ARG A 43 -2.182 -16.363 -1.395 1.00 32.03 N ATOM 682 CA ARG A 43 -3.055 -17.467 -1.017 1.00 23.12 C ATOM 683 C ARG A 43 -2.467 -18.248 0.155 1.00 73.24 C ATOM 684 O ARG A 43 -3.198 -18.842 0.949 1.00 54.41 O ATOM 685 CB ARG A 43 -3.276 -18.402 -2.207 1.00 64.54 C ATOM 686 CG ARG A 43 -4.683 -18.341 -2.778 1.00 31.05 C ATOM 687 CD ARG A 43 -5.705 -18.897 -1.798 1.00 62.24 C ATOM 688 NE ARG A 43 -7.052 -18.908 -2.362 1.00 31.34 N ATOM 689 CZ ARG A 43 -7.822 -17.829 -2.449 1.00 2.31 C ATOM 690 NH1 ARG A 43 -7.378 -16.658 -2.012 1.00 32.20 N1+ ATOM 691 NH2 ARG A 43 -9.037 -17.918 -2.974 1.00 4.33 N ATOM 0 H ARG A 43 -1.729 -16.475 -2.302 1.00 32.03 H new ATOM 0 HA ARG A 43 -4.014 -17.050 -0.709 1.00 23.12 H new ATOM 0 HB2 ARG A 43 -2.563 -18.151 -2.993 1.00 64.54 H new ATOM 0 HB3 ARG A 43 -3.063 -19.425 -1.898 1.00 64.54 H new ATOM 0 HG2 ARG A 43 -4.934 -17.309 -3.021 1.00 31.05 H new ATOM 0 HG3 ARG A 43 -4.724 -18.907 -3.709 1.00 31.05 H new ATOM 0 HD2 ARG A 43 -5.422 -19.911 -1.515 1.00 62.24 H new ATOM 0 HD3 ARG A 43 -5.698 -18.298 -0.887 1.00 62.24 H new ATOM 0 HE ARG A 43 -7.422 -19.793 -2.708 1.00 31.34 H new ATOM 0 HH11 ARG A 43 -6.444 -16.585 -1.608 1.00 32.20 H new ATOM 0 HH12 ARG A 43 -7.970 -15.830 -2.080 1.00 32.20 H new ATOM 0 HH21 ARG A 43 -9.382 -18.816 -3.312 1.00 4.33 H new ATOM 0 HH22 ARG A 43 -9.626 -17.088 -3.040 1.00 4.33 H new ATOM 705 N PHE A 44 -1.142 -18.245 0.256 1.00 70.53 N ATOM 706 CA PHE A 44 -0.456 -18.954 1.330 1.00 51.25 C ATOM 707 C PHE A 44 -0.132 -18.011 2.484 1.00 0.54 C ATOM 708 O PHE A 44 0.833 -18.219 3.218 1.00 3.15 O ATOM 709 CB PHE A 44 0.831 -19.595 0.805 1.00 42.20 C ATOM 710 CG PHE A 44 0.598 -20.590 -0.296 1.00 63.32 C ATOM 711 CD1 PHE A 44 -0.324 -21.613 -0.140 1.00 50.14 C ATOM 712 CD2 PHE A 44 1.302 -20.502 -1.487 1.00 24.43 C ATOM 713 CE1 PHE A 44 -0.538 -22.530 -1.152 1.00 1.33 C ATOM 714 CE2 PHE A 44 1.091 -21.417 -2.501 1.00 60.34 C ATOM 715 CZ PHE A 44 0.169 -22.432 -2.335 1.00 2.45 C ATOM 0 H PHE A 44 -0.522 -17.760 -0.393 1.00 70.53 H new ATOM 0 HA PHE A 44 -1.121 -19.736 1.698 1.00 51.25 H new ATOM 0 HB2 PHE A 44 1.496 -18.811 0.441 1.00 42.20 H new ATOM 0 HB3 PHE A 44 1.343 -20.091 1.630 1.00 42.20 H new ATOM 0 HD1 PHE A 44 -0.881 -21.695 0.782 1.00 50.14 H new ATOM 0 HD2 PHE A 44 2.023 -19.710 -1.624 1.00 24.43 H new ATOM 0 HE1 PHE A 44 -1.258 -23.324 -1.018 1.00 1.33 H new ATOM 0 HE2 PHE A 44 1.647 -21.338 -3.423 1.00 60.34 H new ATOM 0 HZ PHE A 44 0.001 -23.147 -3.127 1.00 2.45 H new ATOM 725 N ALA A 45 -0.948 -16.973 2.640 1.00 74.25 N ATOM 726 CA ALA A 45 -0.751 -15.999 3.705 1.00 50.02 C ATOM 727 C ALA A 45 0.565 -15.249 3.527 1.00 24.13 C ATOM 728 O ALA A 45 1.106 -14.689 4.481 1.00 40.22 O ATOM 729 CB ALA A 45 -0.790 -16.685 5.062 1.00 63.20 C ATOM 0 H ALA A 45 -1.752 -16.786 2.041 1.00 74.25 H new ATOM 0 HA ALA A 45 -1.563 -15.273 3.654 1.00 50.02 H new ATOM 0 HB1 ALA A 45 -0.641 -15.945 5.848 1.00 63.20 H new ATOM 0 HB2 ALA A 45 -1.757 -17.169 5.197 1.00 63.20 H new ATOM 0 HB3 ALA A 45 0.001 -17.433 5.114 1.00 63.20 H new ATOM 735 N VAL A 46 1.077 -15.243 2.300 1.00 34.21 N ATOM 736 CA VAL A 46 2.330 -14.562 1.997 1.00 4.01 C ATOM 737 C VAL A 46 2.117 -13.447 0.981 1.00 54.11 C ATOM 738 O VAL A 46 1.761 -13.701 -0.170 1.00 12.03 O ATOM 739 CB VAL A 46 3.385 -15.544 1.453 1.00 0.32 C ATOM 740 CG1 VAL A 46 4.670 -14.809 1.106 1.00 53.21 C ATOM 741 CG2 VAL A 46 3.651 -16.653 2.460 1.00 12.40 C ATOM 0 H VAL A 46 0.643 -15.702 1.500 1.00 34.21 H new ATOM 0 HA VAL A 46 2.692 -14.133 2.932 1.00 4.01 H new ATOM 0 HB VAL A 46 2.997 -15.998 0.541 1.00 0.32 H new ATOM 0 HG11 VAL A 46 5.403 -15.519 0.723 1.00 53.21 H new ATOM 0 HG12 VAL A 46 4.464 -14.055 0.346 1.00 53.21 H new ATOM 0 HG13 VAL A 46 5.065 -14.325 1.999 1.00 53.21 H new ATOM 0 HG21 VAL A 46 4.399 -17.337 2.059 1.00 12.40 H new ATOM 0 HG22 VAL A 46 4.018 -16.219 3.390 1.00 12.40 H new ATOM 0 HG23 VAL A 46 2.727 -17.198 2.653 1.00 12.40 H new ATOM 751 N ASN A 47 2.338 -12.209 1.413 1.00 25.42 N ATOM 752 CA ASN A 47 2.171 -11.053 0.540 1.00 72.32 C ATOM 753 C ASN A 47 3.143 -11.113 -0.635 1.00 3.44 C ATOM 754 O ASN A 47 4.278 -11.575 -0.511 1.00 34.23 O ATOM 755 CB ASN A 47 2.383 -9.758 1.326 1.00 23.44 C ATOM 756 CG ASN A 47 1.114 -9.280 2.006 1.00 32.34 C ATOM 757 OD1 ASN A 47 0.153 -10.037 2.155 1.00 42.33 O ATOM 758 ND2 ASN A 47 1.105 -8.020 2.422 1.00 13.24 N ATOM 0 H ASN A 47 2.633 -11.981 2.362 1.00 25.42 H new ATOM 0 HA ASN A 47 1.154 -11.070 0.148 1.00 72.32 H new ATOM 0 HB2 ASN A 47 3.157 -9.915 2.077 1.00 23.44 H new ATOM 0 HB3 ASN A 47 2.745 -8.982 0.652 1.00 23.44 H new ATOM 0 HD21 ASN A 47 0.279 -7.642 2.887 1.00 13.24 H new ATOM 0 HD22 ASN A 47 1.924 -7.429 2.277 1.00 13.24 H new ATOM 765 N PRO A 48 2.690 -10.633 -1.802 1.00 62.05 N ATOM 766 CA PRO A 48 3.505 -10.619 -3.021 1.00 71.14 C ATOM 767 C PRO A 48 4.651 -9.617 -2.941 1.00 75.22 C ATOM 768 O PRO A 48 5.567 -9.639 -3.763 1.00 35.40 O ATOM 769 CB PRO A 48 2.508 -10.208 -4.108 1.00 43.35 C ATOM 770 CG PRO A 48 1.455 -9.441 -3.386 1.00 42.03 C ATOM 771 CD PRO A 48 1.349 -10.067 -2.023 1.00 53.11 C ATOM 0 HA PRO A 48 3.983 -11.581 -3.204 1.00 71.14 H new ATOM 0 HB2 PRO A 48 2.987 -9.598 -4.874 1.00 43.35 H new ATOM 0 HB3 PRO A 48 2.089 -11.080 -4.610 1.00 43.35 H new ATOM 0 HG2 PRO A 48 1.722 -8.387 -3.312 1.00 42.03 H new ATOM 0 HG3 PRO A 48 0.503 -9.493 -3.914 1.00 42.03 H new ATOM 0 HD2 PRO A 48 1.093 -9.330 -1.261 1.00 53.11 H new ATOM 0 HD3 PRO A 48 0.578 -10.837 -1.993 1.00 53.11 H new ATOM 779 N GLY A 49 4.593 -8.737 -1.946 1.00 5.20 N ATOM 780 CA GLY A 49 5.633 -7.739 -1.778 1.00 41.32 C ATOM 781 C GLY A 49 6.976 -8.353 -1.430 1.00 14.11 C ATOM 782 O GLY A 49 8.013 -7.697 -1.539 1.00 62.20 O ATOM 0 H GLY A 49 3.845 -8.697 -1.254 1.00 5.20 H new ATOM 0 HA2 GLY A 49 5.729 -7.160 -2.697 1.00 41.32 H new ATOM 0 HA3 GLY A 49 5.341 -7.043 -0.992 1.00 41.32 H new ATOM 786 N LEU A 50 6.956 -9.612 -1.009 1.00 44.25 N ATOM 787 CA LEU A 50 8.182 -10.314 -0.641 1.00 75.45 C ATOM 788 C LEU A 50 8.975 -10.710 -1.883 1.00 4.30 C ATOM 789 O LEU A 50 10.190 -10.906 -1.820 1.00 41.41 O ATOM 790 CB LEU A 50 7.851 -11.559 0.184 1.00 22.53 C ATOM 791 CG LEU A 50 6.959 -11.337 1.405 1.00 15.11 C ATOM 792 CD1 LEU A 50 6.766 -12.638 2.169 1.00 42.21 C ATOM 793 CD2 LEU A 50 7.551 -10.267 2.311 1.00 22.32 C ATOM 0 H LEU A 50 6.106 -10.168 -0.914 1.00 44.25 H new ATOM 0 HA LEU A 50 8.793 -9.639 -0.041 1.00 75.45 H new ATOM 0 HB2 LEU A 50 7.365 -12.284 -0.469 1.00 22.53 H new ATOM 0 HB3 LEU A 50 8.786 -12.008 0.519 1.00 22.53 H new ATOM 0 HG LEU A 50 5.983 -10.994 1.060 1.00 15.11 H new ATOM 0 HD11 LEU A 50 6.128 -12.460 3.035 1.00 42.21 H new ATOM 0 HD12 LEU A 50 6.297 -13.376 1.518 1.00 42.21 H new ATOM 0 HD13 LEU A 50 7.734 -13.011 2.502 1.00 42.21 H new ATOM 0 HD21 LEU A 50 6.902 -10.122 3.175 1.00 22.32 H new ATOM 0 HD22 LEU A 50 8.539 -10.581 2.647 1.00 22.32 H new ATOM 0 HD23 LEU A 50 7.636 -9.330 1.760 1.00 22.32 H new ATOM 805 N LEU A 51 8.282 -10.823 -3.010 1.00 51.44 N ATOM 806 CA LEU A 51 8.922 -11.192 -4.268 1.00 65.15 C ATOM 807 C LEU A 51 9.930 -10.131 -4.699 1.00 12.11 C ATOM 808 O LEU A 51 10.871 -10.419 -5.438 1.00 44.33 O ATOM 809 CB LEU A 51 7.871 -11.386 -5.361 1.00 61.43 C ATOM 810 CG LEU A 51 6.915 -12.565 -5.171 1.00 41.24 C ATOM 811 CD1 LEU A 51 5.788 -12.508 -6.191 1.00 64.05 C ATOM 812 CD2 LEU A 51 7.667 -13.883 -5.277 1.00 61.53 C ATOM 0 H LEU A 51 7.277 -10.664 -3.079 1.00 51.44 H new ATOM 0 HA LEU A 51 9.454 -12.131 -4.114 1.00 65.15 H new ATOM 0 HB2 LEU A 51 7.280 -10.473 -5.435 1.00 61.43 H new ATOM 0 HB3 LEU A 51 8.385 -11.511 -6.314 1.00 61.43 H new ATOM 0 HG LEU A 51 6.479 -12.498 -4.174 1.00 41.24 H new ATOM 0 HD11 LEU A 51 5.118 -13.354 -6.041 1.00 64.05 H new ATOM 0 HD12 LEU A 51 5.232 -11.579 -6.067 1.00 64.05 H new ATOM 0 HD13 LEU A 51 6.205 -12.550 -7.197 1.00 64.05 H new ATOM 0 HD21 LEU A 51 6.971 -14.711 -5.139 1.00 61.53 H new ATOM 0 HD22 LEU A 51 8.131 -13.959 -6.260 1.00 61.53 H new ATOM 0 HD23 LEU A 51 8.438 -13.925 -4.507 1.00 61.53 H new ATOM 824 N GLU A 52 9.726 -8.904 -4.230 1.00 12.32 N ATOM 825 CA GLU A 52 10.618 -7.800 -4.566 1.00 3.35 C ATOM 826 C GLU A 52 11.603 -7.532 -3.431 1.00 64.20 C ATOM 827 O GLU A 52 12.111 -6.420 -3.285 1.00 4.31 O ATOM 828 CB GLU A 52 9.811 -6.535 -4.864 1.00 13.14 C ATOM 829 CG GLU A 52 9.029 -6.016 -3.669 1.00 14.40 C ATOM 830 CD GLU A 52 9.028 -4.501 -3.585 1.00 64.35 C ATOM 831 OE1 GLU A 52 8.589 -3.853 -4.557 1.00 74.14 O1- ATOM 832 OE2 GLU A 52 9.468 -3.965 -2.546 1.00 70.22 O ATOM 0 H GLU A 52 8.952 -8.649 -3.617 1.00 12.32 H new ATOM 0 HA GLU A 52 11.182 -8.080 -5.456 1.00 3.35 H new ATOM 0 HB2 GLU A 52 10.489 -5.755 -5.210 1.00 13.14 H new ATOM 0 HB3 GLU A 52 9.118 -6.740 -5.680 1.00 13.14 H new ATOM 0 HG2 GLU A 52 8.001 -6.373 -3.729 1.00 14.40 H new ATOM 0 HG3 GLU A 52 9.456 -6.427 -2.754 1.00 14.40 H new ATOM 839 N THR A 53 11.868 -8.559 -2.630 1.00 53.14 N ATOM 840 CA THR A 53 12.790 -8.435 -1.508 1.00 72.24 C ATOM 841 C THR A 53 13.744 -9.623 -1.447 1.00 33.22 C ATOM 842 O THR A 53 13.313 -10.774 -1.375 1.00 63.15 O ATOM 843 CB THR A 53 12.035 -8.328 -0.170 1.00 51.01 C ATOM 844 OG1 THR A 53 11.491 -9.603 0.189 1.00 50.41 O ATOM 845 CG2 THR A 53 10.917 -7.301 -0.260 1.00 52.11 C ATOM 0 H THR A 53 11.457 -9.486 -2.738 1.00 53.14 H new ATOM 0 HA THR A 53 13.362 -7.521 -1.668 1.00 72.24 H new ATOM 0 HB THR A 53 12.741 -8.006 0.595 1.00 51.01 H new ATOM 0 HG1 THR A 53 11.042 -9.998 -0.588 1.00 50.41 H new ATOM 0 HG21 THR A 53 10.398 -7.243 0.697 1.00 52.11 H new ATOM 0 HG22 THR A 53 11.338 -6.326 -0.504 1.00 52.11 H new ATOM 0 HG23 THR A 53 10.213 -7.597 -1.037 1.00 52.11 H new ATOM 853 N SER A 54 15.041 -9.336 -1.474 1.00 23.34 N ATOM 854 CA SER A 54 16.057 -10.382 -1.424 1.00 34.22 C ATOM 855 C SER A 54 15.896 -11.235 -0.169 1.00 72.43 C ATOM 856 O SER A 54 16.335 -12.384 -0.128 1.00 55.13 O ATOM 857 CB SER A 54 17.456 -9.765 -1.459 1.00 42.33 C ATOM 858 OG SER A 54 17.924 -9.487 -0.151 1.00 52.42 O ATOM 0 H SER A 54 15.414 -8.388 -1.530 1.00 23.34 H new ATOM 0 HA SER A 54 15.928 -11.022 -2.297 1.00 34.22 H new ATOM 0 HB2 SER A 54 18.145 -10.447 -1.958 1.00 42.33 H new ATOM 0 HB3 SER A 54 17.437 -8.846 -2.045 1.00 42.33 H new ATOM 0 HG SER A 54 18.821 -9.095 -0.201 1.00 52.42 H new ATOM 864 N GLU A 55 15.264 -10.663 0.851 1.00 65.43 N ATOM 865 CA GLU A 55 15.047 -11.371 2.107 1.00 20.25 C ATOM 866 C GLU A 55 13.797 -12.243 2.031 1.00 21.42 C ATOM 867 O GLU A 55 13.825 -13.420 2.391 1.00 53.24 O ATOM 868 CB GLU A 55 14.919 -10.377 3.263 1.00 43.52 C ATOM 869 CG GLU A 55 16.253 -9.965 3.862 1.00 64.15 C ATOM 870 CD GLU A 55 16.473 -10.539 5.248 1.00 12.42 C ATOM 871 OE1 GLU A 55 15.878 -11.593 5.554 1.00 22.00 O ATOM 872 OE2 GLU A 55 17.238 -9.933 6.027 1.00 10.43 O1- ATOM 0 H GLU A 55 14.894 -9.713 0.832 1.00 65.43 H new ATOM 0 HA GLU A 55 15.908 -12.015 2.285 1.00 20.25 H new ATOM 0 HB2 GLU A 55 14.399 -9.487 2.910 1.00 43.52 H new ATOM 0 HB3 GLU A 55 14.300 -10.819 4.044 1.00 43.52 H new ATOM 0 HG2 GLU A 55 17.059 -10.293 3.205 1.00 64.15 H new ATOM 0 HG3 GLU A 55 16.304 -8.877 3.911 1.00 64.15 H new ATOM 879 N GLY A 56 12.701 -11.656 1.561 1.00 35.32 N ATOM 880 CA GLY A 56 11.456 -12.392 1.447 1.00 71.33 C ATOM 881 C GLY A 56 11.613 -13.678 0.659 1.00 21.03 C ATOM 882 O GLY A 56 11.178 -14.743 1.101 1.00 3.32 O ATOM 0 H GLY A 56 12.653 -10.684 1.257 1.00 35.32 H new ATOM 0 HA2 GLY A 56 11.082 -12.624 2.444 1.00 71.33 H new ATOM 0 HA3 GLY A 56 10.708 -11.763 0.964 1.00 71.33 H new ATOM 886 N CYS A 57 12.234 -13.582 -0.511 1.00 53.12 N ATOM 887 CA CYS A 57 12.446 -14.746 -1.363 1.00 74.32 C ATOM 888 C CYS A 57 13.104 -15.879 -0.583 1.00 20.12 C ATOM 889 O CYS A 57 12.688 -17.034 -0.675 1.00 12.33 O ATOM 890 CB CYS A 57 13.308 -14.372 -2.569 1.00 42.15 C ATOM 891 SG CYS A 57 12.394 -14.261 -4.126 1.00 24.33 S ATOM 0 H CYS A 57 12.600 -12.709 -0.892 1.00 53.12 H new ATOM 0 HA CYS A 57 11.473 -15.089 -1.715 1.00 74.32 H new ATOM 0 HB2 CYS A 57 13.790 -13.414 -2.374 1.00 42.15 H new ATOM 0 HB3 CYS A 57 14.101 -15.111 -2.678 1.00 42.15 H new ATOM 0 HG CYS A 57 12.674 -15.291 -4.868 1.00 24.33 H new ATOM 897 N ARG A 58 14.136 -15.541 0.183 1.00 55.30 N ATOM 898 CA ARG A 58 14.855 -16.529 0.977 1.00 33.05 C ATOM 899 C ARG A 58 13.911 -17.244 1.940 1.00 3.51 C ATOM 900 O ARG A 58 14.049 -18.442 2.185 1.00 12.23 O ATOM 901 CB ARG A 58 15.988 -15.862 1.759 1.00 53.24 C ATOM 902 CG ARG A 58 16.960 -16.848 2.384 1.00 42.11 C ATOM 903 CD ARG A 58 17.678 -16.241 3.580 1.00 35.10 C ATOM 904 NE ARG A 58 17.126 -16.713 4.847 1.00 22.34 N ATOM 905 CZ ARG A 58 17.293 -17.949 5.307 1.00 54.42 C ATOM 906 NH1 ARG A 58 17.992 -18.831 4.607 1.00 72.24 N1+ ATOM 907 NH2 ARG A 58 16.759 -18.303 6.469 1.00 52.55 N ATOM 0 H ARG A 58 14.493 -14.589 0.270 1.00 55.30 H new ATOM 0 HA ARG A 58 15.279 -17.266 0.295 1.00 33.05 H new ATOM 0 HB2 ARG A 58 16.537 -15.198 1.091 1.00 53.24 H new ATOM 0 HB3 ARG A 58 15.559 -15.241 2.545 1.00 53.24 H new ATOM 0 HG2 ARG A 58 16.422 -17.742 2.697 1.00 42.11 H new ATOM 0 HG3 ARG A 58 17.692 -17.161 1.639 1.00 42.11 H new ATOM 0 HD2 ARG A 58 18.738 -16.490 3.531 1.00 35.10 H new ATOM 0 HD3 ARG A 58 17.603 -15.155 3.534 1.00 35.10 H new ATOM 0 HE ARG A 58 16.583 -16.058 5.410 1.00 22.34 H new ATOM 0 HH11 ARG A 58 18.403 -18.562 3.713 1.00 72.24 H new ATOM 0 HH12 ARG A 58 18.119 -19.779 4.962 1.00 72.24 H new ATOM 0 HH21 ARG A 58 16.220 -17.627 7.010 1.00 52.55 H new ATOM 0 HH22 ARG A 58 16.887 -19.252 6.821 1.00 52.55 H new ATOM 921 N GLN A 59 12.954 -16.498 2.484 1.00 33.44 N ATOM 922 CA GLN A 59 11.988 -17.061 3.421 1.00 43.32 C ATOM 923 C GLN A 59 10.961 -17.923 2.694 1.00 43.03 C ATOM 924 O GLN A 59 10.658 -19.036 3.121 1.00 62.42 O ATOM 925 CB GLN A 59 11.281 -15.942 4.189 1.00 20.13 C ATOM 926 CG GLN A 59 11.704 -15.842 5.646 1.00 64.22 C ATOM 927 CD GLN A 59 12.424 -14.544 5.955 1.00 4.04 C ATOM 928 OE1 GLN A 59 11.908 -13.457 5.696 1.00 24.13 O ATOM 929 NE2 GLN A 59 13.625 -14.652 6.514 1.00 52.13 N ATOM 0 H GLN A 59 12.827 -15.504 2.292 1.00 33.44 H new ATOM 0 HA GLN A 59 12.529 -17.692 4.126 1.00 43.32 H new ATOM 0 HB2 GLN A 59 11.481 -14.991 3.695 1.00 20.13 H new ATOM 0 HB3 GLN A 59 10.204 -16.105 4.142 1.00 20.13 H new ATOM 0 HG2 GLN A 59 10.823 -15.926 6.283 1.00 64.22 H new ATOM 0 HG3 GLN A 59 12.355 -16.682 5.890 1.00 64.22 H new ATOM 0 HE21 GLN A 59 14.015 -15.574 6.711 1.00 52.13 H new ATOM 0 HE22 GLN A 59 14.157 -13.813 6.746 1.00 52.13 H new ATOM 938 N ILE A 60 10.431 -17.400 1.594 1.00 13.54 N ATOM 939 CA ILE A 60 9.439 -18.123 0.807 1.00 12.32 C ATOM 940 C ILE A 60 9.971 -19.481 0.366 1.00 31.10 C ATOM 941 O ILE A 60 9.234 -20.468 0.331 1.00 70.25 O ATOM 942 CB ILE A 60 9.015 -17.321 -0.438 1.00 10.23 C ATOM 943 CG1 ILE A 60 8.444 -15.962 -0.026 1.00 52.30 C ATOM 944 CG2 ILE A 60 7.995 -18.105 -1.251 1.00 3.15 C ATOM 945 CD1 ILE A 60 8.408 -14.954 -1.154 1.00 65.32 C ATOM 0 H ILE A 60 10.671 -16.479 1.227 1.00 13.54 H new ATOM 0 HA ILE A 60 8.570 -18.267 1.450 1.00 12.32 H new ATOM 0 HB ILE A 60 9.894 -17.152 -1.060 1.00 10.23 H new ATOM 0 HG12 ILE A 60 7.433 -16.103 0.357 1.00 52.30 H new ATOM 0 HG13 ILE A 60 9.041 -15.559 0.792 1.00 52.30 H new ATOM 0 HG21 ILE A 60 7.705 -17.525 -2.127 1.00 3.15 H new ATOM 0 HG22 ILE A 60 8.433 -19.051 -1.570 1.00 3.15 H new ATOM 0 HG23 ILE A 60 7.115 -18.301 -0.639 1.00 3.15 H new ATOM 0 HD11 ILE A 60 7.992 -14.015 -0.790 1.00 65.32 H new ATOM 0 HD12 ILE A 60 9.420 -14.784 -1.522 1.00 65.32 H new ATOM 0 HD13 ILE A 60 7.787 -15.336 -1.964 1.00 65.32 H new ATOM 957 N LEU A 61 11.256 -19.527 0.031 1.00 13.43 N ATOM 958 CA LEU A 61 11.889 -20.766 -0.407 1.00 52.42 C ATOM 959 C LEU A 61 12.098 -21.715 0.768 1.00 22.43 C ATOM 960 O LEU A 61 12.153 -22.932 0.595 1.00 72.42 O ATOM 961 CB LEU A 61 13.230 -20.466 -1.080 1.00 35.02 C ATOM 962 CG LEU A 61 13.161 -19.699 -2.400 1.00 74.13 C ATOM 963 CD1 LEU A 61 14.508 -19.073 -2.725 1.00 45.33 C ATOM 964 CD2 LEU A 61 12.713 -20.617 -3.528 1.00 75.32 C ATOM 0 H LEU A 61 11.880 -18.720 0.054 1.00 13.43 H new ATOM 0 HA LEU A 61 11.228 -21.249 -1.127 1.00 52.42 H new ATOM 0 HB2 LEU A 61 13.844 -19.896 -0.383 1.00 35.02 H new ATOM 0 HB3 LEU A 61 13.744 -21.411 -1.258 1.00 35.02 H new ATOM 0 HG LEU A 61 12.427 -18.900 -2.295 1.00 74.13 H new ATOM 0 HD11 LEU A 61 14.439 -18.531 -3.668 1.00 45.33 H new ATOM 0 HD12 LEU A 61 14.790 -18.383 -1.930 1.00 45.33 H new ATOM 0 HD13 LEU A 61 15.262 -19.856 -2.810 1.00 45.33 H new ATOM 0 HD21 LEU A 61 12.670 -20.054 -4.460 1.00 75.32 H new ATOM 0 HD22 LEU A 61 13.423 -21.438 -3.633 1.00 75.32 H new ATOM 0 HD23 LEU A 61 11.725 -21.018 -3.300 1.00 75.32 H new ATOM 976 N GLY A 62 12.213 -21.149 1.966 1.00 64.51 N ATOM 977 CA GLY A 62 12.413 -21.960 3.153 1.00 65.41 C ATOM 978 C GLY A 62 11.201 -22.808 3.488 1.00 40.34 C ATOM 979 O GLY A 62 11.335 -23.922 3.992 1.00 3.11 O ATOM 0 H GLY A 62 12.171 -20.144 2.135 1.00 64.51 H new ATOM 0 HA2 GLY A 62 13.276 -22.609 3.005 1.00 65.41 H new ATOM 0 HA3 GLY A 62 12.643 -21.311 3.998 1.00 65.41 H new ATOM 983 N GLN A 63 10.015 -22.277 3.207 1.00 20.33 N ATOM 984 CA GLN A 63 8.774 -22.992 3.484 1.00 61.44 C ATOM 985 C GLN A 63 8.471 -24.001 2.382 1.00 22.41 C ATOM 986 O GLN A 63 7.793 -25.004 2.613 1.00 33.21 O ATOM 987 CB GLN A 63 7.613 -22.006 3.622 1.00 53.34 C ATOM 988 CG GLN A 63 7.317 -21.614 5.061 1.00 53.53 C ATOM 989 CD GLN A 63 6.546 -22.682 5.811 1.00 53.33 C ATOM 990 OE1 GLN A 63 7.039 -23.791 6.016 1.00 41.44 O ATOM 991 NE2 GLN A 63 5.329 -22.352 6.225 1.00 75.24 N ATOM 0 H GLN A 63 9.887 -21.356 2.788 1.00 20.33 H new ATOM 0 HA GLN A 63 8.896 -23.532 4.423 1.00 61.44 H new ATOM 0 HB2 GLN A 63 7.840 -21.107 3.048 1.00 53.34 H new ATOM 0 HB3 GLN A 63 6.718 -22.447 3.183 1.00 53.34 H new ATOM 0 HG2 GLN A 63 8.255 -21.417 5.580 1.00 53.53 H new ATOM 0 HG3 GLN A 63 6.746 -20.685 5.070 1.00 53.53 H new ATOM 0 HE21 GLN A 63 4.960 -21.421 6.033 1.00 75.24 H new ATOM 0 HE22 GLN A 63 4.763 -23.030 6.735 1.00 75.24 H new ATOM 1000 N LEU A 64 8.976 -23.733 1.184 1.00 42.25 N ATOM 1001 CA LEU A 64 8.760 -24.618 0.045 1.00 75.43 C ATOM 1002 C LEU A 64 9.822 -25.711 -0.005 1.00 35.31 C ATOM 1003 O LEU A 64 9.587 -26.793 -0.545 1.00 2.22 O ATOM 1004 CB LEU A 64 8.773 -23.818 -1.259 1.00 44.15 C ATOM 1005 CG LEU A 64 7.672 -22.768 -1.414 1.00 32.10 C ATOM 1006 CD1 LEU A 64 7.819 -22.031 -2.736 1.00 63.31 C ATOM 1007 CD2 LEU A 64 6.299 -23.416 -1.313 1.00 64.30 C ATOM 0 H LEU A 64 9.539 -22.908 0.975 1.00 42.25 H new ATOM 0 HA LEU A 64 7.785 -25.090 0.164 1.00 75.43 H new ATOM 0 HB2 LEU A 64 9.738 -23.319 -1.346 1.00 44.15 H new ATOM 0 HB3 LEU A 64 8.700 -24.518 -2.092 1.00 44.15 H new ATOM 0 HG LEU A 64 7.771 -22.044 -0.605 1.00 32.10 H new ATOM 0 HD11 LEU A 64 7.027 -21.288 -2.828 1.00 63.31 H new ATOM 0 HD12 LEU A 64 8.788 -21.534 -2.770 1.00 63.31 H new ATOM 0 HD13 LEU A 64 7.747 -22.742 -3.559 1.00 63.31 H new ATOM 0 HD21 LEU A 64 5.528 -22.654 -1.426 1.00 64.30 H new ATOM 0 HD22 LEU A 64 6.190 -24.162 -2.100 1.00 64.30 H new ATOM 0 HD23 LEU A 64 6.194 -23.897 -0.341 1.00 64.30 H new ATOM 1019 N GLN A 65 10.988 -25.423 0.562 1.00 2.34 N ATOM 1020 CA GLN A 65 12.085 -26.383 0.583 1.00 1.31 C ATOM 1021 C GLN A 65 11.622 -27.727 1.136 1.00 14.25 C ATOM 1022 O GLN A 65 11.660 -28.752 0.456 1.00 71.33 O ATOM 1023 CB GLN A 65 13.245 -25.846 1.423 1.00 12.13 C ATOM 1024 CG GLN A 65 14.454 -25.434 0.598 1.00 25.13 C ATOM 1025 CD GLN A 65 15.686 -25.194 1.448 1.00 41.41 C ATOM 1026 OE1 GLN A 65 16.312 -26.136 1.935 1.00 13.34 O ATOM 1027 NE2 GLN A 65 16.042 -23.927 1.631 1.00 74.41 N ATOM 0 H GLN A 65 11.198 -24.533 1.013 1.00 2.34 H new ATOM 0 HA GLN A 65 12.425 -26.530 -0.442 1.00 1.31 H new ATOM 0 HB2 GLN A 65 12.899 -24.988 1.999 1.00 12.13 H new ATOM 0 HB3 GLN A 65 13.548 -26.609 2.140 1.00 12.13 H new ATOM 0 HG2 GLN A 65 14.669 -26.210 -0.136 1.00 25.13 H new ATOM 0 HG3 GLN A 65 14.218 -24.526 0.043 1.00 25.13 H new ATOM 0 HE21 GLN A 65 15.494 -23.177 1.209 1.00 74.41 H new ATOM 0 HE22 GLN A 65 16.863 -23.704 2.194 1.00 74.41 H new ATOM 1036 N PRO A 66 11.173 -27.724 2.400 1.00 61.34 N ATOM 1037 CA PRO A 66 10.693 -28.936 3.072 1.00 22.20 C ATOM 1038 C PRO A 66 9.370 -29.431 2.500 1.00 54.14 C ATOM 1039 O PRO A 66 8.977 -30.576 2.720 1.00 61.53 O ATOM 1040 CB PRO A 66 10.514 -28.488 4.525 1.00 62.23 C ATOM 1041 CG PRO A 66 10.287 -27.018 4.443 1.00 44.33 C ATOM 1042 CD PRO A 66 11.098 -26.539 3.270 1.00 5.50 C ATOM 0 HA PRO A 66 11.384 -29.770 2.951 1.00 22.20 H new ATOM 0 HB2 PRO A 66 9.670 -28.993 4.994 1.00 62.23 H new ATOM 0 HB3 PRO A 66 11.396 -28.720 5.122 1.00 62.23 H new ATOM 0 HG2 PRO A 66 9.229 -26.793 4.304 1.00 44.33 H new ATOM 0 HG3 PRO A 66 10.600 -26.523 5.362 1.00 44.33 H new ATOM 0 HD2 PRO A 66 10.618 -25.700 2.766 1.00 5.50 H new ATOM 0 HD3 PRO A 66 12.088 -26.203 3.577 1.00 5.50 H new ATOM 1050 N SER A 67 8.686 -28.560 1.764 1.00 24.31 N ATOM 1051 CA SER A 67 7.404 -28.909 1.162 1.00 63.13 C ATOM 1052 C SER A 67 7.607 -29.651 -0.155 1.00 75.24 C ATOM 1053 O SER A 67 6.757 -30.438 -0.576 1.00 12.24 O ATOM 1054 CB SER A 67 6.568 -27.649 0.928 1.00 23.14 C ATOM 1055 OG SER A 67 5.368 -27.688 1.680 1.00 35.13 O ATOM 0 H SER A 67 8.998 -27.608 1.570 1.00 24.31 H new ATOM 0 HA SER A 67 6.873 -29.566 1.851 1.00 63.13 H new ATOM 0 HB2 SER A 67 7.147 -26.768 1.205 1.00 23.14 H new ATOM 0 HB3 SER A 67 6.334 -27.556 -0.132 1.00 23.14 H new ATOM 0 HG SER A 67 4.852 -26.871 1.515 1.00 35.13 H new ATOM 1061 N LEU A 68 8.737 -29.395 -0.804 1.00 54.11 N ATOM 1062 CA LEU A 68 9.053 -30.038 -2.075 1.00 43.31 C ATOM 1063 C LEU A 68 8.920 -31.553 -1.966 1.00 72.42 C ATOM 1064 O LEU A 68 8.547 -32.224 -2.929 1.00 52.23 O ATOM 1065 CB LEU A 68 10.471 -29.670 -2.517 1.00 12.14 C ATOM 1066 CG LEU A 68 10.651 -28.264 -3.090 1.00 33.15 C ATOM 1067 CD1 LEU A 68 12.013 -27.705 -2.713 1.00 43.34 C ATOM 1068 CD2 LEU A 68 10.477 -28.277 -4.602 1.00 64.32 C ATOM 0 H LEU A 68 9.450 -28.746 -0.471 1.00 54.11 H new ATOM 0 HA LEU A 68 8.342 -29.682 -2.821 1.00 43.31 H new ATOM 0 HB2 LEU A 68 11.137 -29.780 -1.661 1.00 12.14 H new ATOM 0 HB3 LEU A 68 10.795 -30.391 -3.268 1.00 12.14 H new ATOM 0 HG LEU A 68 9.885 -27.617 -2.662 1.00 33.15 H new ATOM 0 HD11 LEU A 68 12.123 -26.704 -3.129 1.00 43.34 H new ATOM 0 HD12 LEU A 68 12.099 -27.658 -1.627 1.00 43.34 H new ATOM 0 HD13 LEU A 68 12.795 -28.352 -3.111 1.00 43.34 H new ATOM 0 HD21 LEU A 68 10.609 -27.268 -4.992 1.00 64.32 H new ATOM 0 HD22 LEU A 68 11.220 -28.938 -5.048 1.00 64.32 H new ATOM 0 HD23 LEU A 68 9.478 -28.634 -4.850 1.00 64.32 H new ATOM 1080 N GLN A 69 9.224 -32.086 -0.787 1.00 63.53 N ATOM 1081 CA GLN A 69 9.137 -33.523 -0.553 1.00 41.22 C ATOM 1082 C GLN A 69 7.768 -34.058 -0.962 1.00 20.12 C ATOM 1083 O GLN A 69 7.668 -35.058 -1.674 1.00 15.32 O ATOM 1084 CB GLN A 69 9.403 -33.839 0.920 1.00 14.42 C ATOM 1085 CG GLN A 69 10.511 -34.857 1.134 1.00 55.43 C ATOM 1086 CD GLN A 69 11.847 -34.209 1.438 1.00 5.02 C ATOM 1087 OE1 GLN A 69 12.806 -34.351 0.679 1.00 64.31 O ATOM 1088 NE2 GLN A 69 11.917 -33.492 2.554 1.00 25.13 N ATOM 0 H GLN A 69 9.533 -31.545 0.021 1.00 63.53 H new ATOM 0 HA GLN A 69 9.896 -34.012 -1.164 1.00 41.22 H new ATOM 0 HB2 GLN A 69 9.663 -32.917 1.439 1.00 14.42 H new ATOM 0 HB3 GLN A 69 8.485 -34.213 1.374 1.00 14.42 H new ATOM 0 HG2 GLN A 69 10.237 -35.519 1.955 1.00 55.43 H new ATOM 0 HG3 GLN A 69 10.607 -35.477 0.243 1.00 55.43 H new ATOM 0 HE21 GLN A 69 11.097 -33.401 3.154 1.00 25.13 H new ATOM 0 HE22 GLN A 69 12.791 -33.032 2.811 1.00 25.13 H new ATOM 1097 N THR A 70 6.715 -33.388 -0.505 1.00 25.11 N ATOM 1098 CA THR A 70 5.353 -33.797 -0.820 1.00 74.10 C ATOM 1099 C THR A 70 4.580 -32.665 -1.490 1.00 24.24 C ATOM 1100 O THR A 70 3.401 -32.457 -1.211 1.00 12.00 O ATOM 1101 CB THR A 70 4.594 -34.245 0.443 1.00 54.24 C ATOM 1102 OG1 THR A 70 4.556 -33.176 1.396 1.00 71.41 O ATOM 1103 CG2 THR A 70 5.253 -35.465 1.067 1.00 64.01 C ATOM 0 H THR A 70 6.780 -32.559 0.085 1.00 25.11 H new ATOM 0 HA THR A 70 5.427 -34.640 -1.508 1.00 74.10 H new ATOM 0 HB THR A 70 3.577 -34.510 0.154 1.00 54.24 H new ATOM 0 HG1 THR A 70 4.070 -33.468 2.196 1.00 71.41 H new ATOM 0 HG21 THR A 70 4.699 -35.762 1.957 1.00 64.01 H new ATOM 0 HG22 THR A 70 5.254 -36.285 0.349 1.00 64.01 H new ATOM 0 HG23 THR A 70 6.280 -35.223 1.342 1.00 64.01 H new ATOM 1111 N GLY A 71 5.254 -31.938 -2.376 1.00 30.33 N ATOM 1112 CA GLY A 71 4.614 -30.837 -3.071 1.00 40.22 C ATOM 1113 C GLY A 71 4.062 -31.248 -4.422 1.00 51.41 C ATOM 1114 O GLY A 71 4.497 -32.242 -5.002 1.00 70.21 O ATOM 0 H GLY A 71 6.231 -32.092 -2.625 1.00 30.33 H new ATOM 0 HA2 GLY A 71 3.805 -30.444 -2.455 1.00 40.22 H new ATOM 0 HA3 GLY A 71 5.333 -30.029 -3.206 1.00 40.22 H new ATOM 1118 N SER A 72 3.098 -30.481 -4.923 1.00 51.03 N ATOM 1119 CA SER A 72 2.481 -30.774 -6.211 1.00 52.34 C ATOM 1120 C SER A 72 3.014 -29.841 -7.294 1.00 44.34 C ATOM 1121 O SER A 72 3.963 -29.089 -7.067 1.00 54.43 O ATOM 1122 CB SER A 72 0.960 -30.643 -6.114 1.00 10.31 C ATOM 1123 OG SER A 72 0.539 -29.332 -6.449 1.00 34.25 O ATOM 0 H SER A 72 2.728 -29.653 -4.457 1.00 51.03 H new ATOM 0 HA SER A 72 2.734 -31.799 -6.481 1.00 52.34 H new ATOM 0 HB2 SER A 72 0.486 -31.362 -6.782 1.00 10.31 H new ATOM 0 HB3 SER A 72 0.635 -30.886 -5.102 1.00 10.31 H new ATOM 0 HG SER A 72 -0.437 -29.274 -6.381 1.00 34.25 H new ATOM 1129 N GLU A 73 2.398 -29.895 -8.471 1.00 42.23 N ATOM 1130 CA GLU A 73 2.812 -29.055 -9.588 1.00 72.04 C ATOM 1131 C GLU A 73 2.730 -27.577 -9.219 1.00 23.20 C ATOM 1132 O GLU A 73 3.452 -26.748 -9.771 1.00 75.44 O ATOM 1133 CB GLU A 73 1.941 -29.334 -10.815 1.00 61.53 C ATOM 1134 CG GLU A 73 0.463 -29.064 -10.586 1.00 20.23 C ATOM 1135 CD GLU A 73 -0.426 -29.828 -11.547 1.00 73.02 C ATOM 1136 OE1 GLU A 73 0.064 -30.216 -12.629 1.00 10.23 O1- ATOM 1137 OE2 GLU A 73 -1.612 -30.038 -11.218 1.00 74.02 O ATOM 0 H GLU A 73 1.611 -30.511 -8.675 1.00 42.23 H new ATOM 0 HA GLU A 73 3.849 -29.295 -9.824 1.00 72.04 H new ATOM 0 HB2 GLU A 73 2.290 -28.720 -11.645 1.00 61.53 H new ATOM 0 HB3 GLU A 73 2.070 -30.375 -11.113 1.00 61.53 H new ATOM 0 HG2 GLU A 73 0.202 -29.335 -9.563 1.00 20.23 H new ATOM 0 HG3 GLU A 73 0.272 -27.996 -10.692 1.00 20.23 H new ATOM 1144 N GLU A 74 1.845 -27.256 -8.280 1.00 62.31 N ATOM 1145 CA GLU A 74 1.668 -25.879 -7.836 1.00 54.04 C ATOM 1146 C GLU A 74 2.891 -25.394 -7.063 1.00 33.43 C ATOM 1147 O GLU A 74 3.462 -24.349 -7.374 1.00 4.31 O ATOM 1148 CB GLU A 74 0.416 -25.757 -6.964 1.00 25.02 C ATOM 1149 CG GLU A 74 -0.877 -26.021 -7.715 1.00 1.44 C ATOM 1150 CD GLU A 74 -1.983 -26.529 -6.811 1.00 14.21 C ATOM 1151 OE1 GLU A 74 -1.855 -26.385 -5.577 1.00 54.05 O1- ATOM 1152 OE2 GLU A 74 -2.978 -27.070 -7.338 1.00 34.21 O ATOM 0 H GLU A 74 1.240 -27.931 -7.813 1.00 62.31 H new ATOM 0 HA GLU A 74 1.548 -25.252 -8.720 1.00 54.04 H new ATOM 0 HB2 GLU A 74 0.493 -26.458 -6.133 1.00 25.02 H new ATOM 0 HB3 GLU A 74 0.379 -24.756 -6.535 1.00 25.02 H new ATOM 0 HG2 GLU A 74 -1.204 -25.102 -8.202 1.00 1.44 H new ATOM 0 HG3 GLU A 74 -0.693 -26.751 -8.503 1.00 1.44 H new ATOM 1159 N LEU A 75 3.286 -26.161 -6.052 1.00 71.34 N ATOM 1160 CA LEU A 75 4.440 -25.811 -5.233 1.00 1.22 C ATOM 1161 C LEU A 75 5.721 -25.828 -6.060 1.00 61.35 C ATOM 1162 O LEU A 75 6.579 -24.956 -5.914 1.00 34.31 O ATOM 1163 CB LEU A 75 4.567 -26.780 -4.056 1.00 12.11 C ATOM 1164 CG LEU A 75 5.397 -26.288 -2.869 1.00 21.21 C ATOM 1165 CD1 LEU A 75 4.573 -26.326 -1.590 1.00 61.22 C ATOM 1166 CD2 LEU A 75 6.658 -27.126 -2.717 1.00 4.41 C ATOM 0 H LEU A 75 2.824 -27.029 -5.781 1.00 71.34 H new ATOM 0 HA LEU A 75 4.290 -24.801 -4.851 1.00 1.22 H new ATOM 0 HB2 LEU A 75 3.565 -27.020 -3.699 1.00 12.11 H new ATOM 0 HB3 LEU A 75 5.006 -27.708 -4.421 1.00 12.11 H new ATOM 0 HG LEU A 75 5.691 -25.256 -3.058 1.00 21.21 H new ATOM 0 HD11 LEU A 75 5.179 -25.973 -0.756 1.00 61.22 H new ATOM 0 HD12 LEU A 75 3.699 -25.684 -1.701 1.00 61.22 H new ATOM 0 HD13 LEU A 75 4.250 -27.349 -1.396 1.00 61.22 H new ATOM 0 HD21 LEU A 75 7.237 -26.762 -1.868 1.00 4.41 H new ATOM 0 HD22 LEU A 75 6.385 -28.168 -2.550 1.00 4.41 H new ATOM 0 HD23 LEU A 75 7.257 -27.049 -3.624 1.00 4.41 H new ATOM 1178 N ARG A 76 5.844 -26.824 -6.931 1.00 71.40 N ATOM 1179 CA ARG A 76 7.020 -26.954 -7.784 1.00 3.24 C ATOM 1180 C ARG A 76 7.231 -25.692 -8.614 1.00 52.31 C ATOM 1181 O ARG A 76 8.324 -25.126 -8.635 1.00 72.31 O ATOM 1182 CB ARG A 76 6.876 -28.167 -8.706 1.00 2.41 C ATOM 1183 CG ARG A 76 8.059 -29.120 -8.647 1.00 73.04 C ATOM 1184 CD ARG A 76 9.218 -28.622 -9.498 1.00 33.22 C ATOM 1185 NE ARG A 76 8.903 -28.655 -10.924 1.00 14.25 N ATOM 1186 CZ ARG A 76 8.929 -29.762 -11.657 1.00 20.02 C ATOM 1187 NH1 ARG A 76 9.255 -30.922 -11.102 1.00 54.31 N1+ ATOM 1188 NH2 ARG A 76 8.630 -29.710 -12.949 1.00 23.51 N ATOM 0 H ARG A 76 5.144 -27.553 -7.065 1.00 71.40 H new ATOM 0 HA ARG A 76 7.890 -27.096 -7.143 1.00 3.24 H new ATOM 0 HB2 ARG A 76 5.969 -28.710 -8.439 1.00 2.41 H new ATOM 0 HB3 ARG A 76 6.750 -27.820 -9.732 1.00 2.41 H new ATOM 0 HG2 ARG A 76 8.387 -29.232 -7.613 1.00 73.04 H new ATOM 0 HG3 ARG A 76 7.750 -30.107 -8.992 1.00 73.04 H new ATOM 0 HD2 ARG A 76 9.471 -27.603 -9.206 1.00 33.22 H new ATOM 0 HD3 ARG A 76 10.098 -29.236 -9.307 1.00 33.22 H new ATOM 0 HE ARG A 76 8.649 -27.780 -11.382 1.00 14.25 H new ATOM 0 HH11 ARG A 76 9.487 -30.965 -10.110 1.00 54.31 H new ATOM 0 HH12 ARG A 76 9.274 -31.771 -11.668 1.00 54.31 H new ATOM 0 HH21 ARG A 76 8.380 -28.820 -13.379 1.00 23.51 H new ATOM 0 HH22 ARG A 76 8.650 -30.560 -13.512 1.00 23.51 H new ATOM 1202 N SER A 77 6.178 -25.256 -9.298 1.00 62.14 N ATOM 1203 CA SER A 77 6.249 -24.064 -10.133 1.00 60.14 C ATOM 1204 C SER A 77 6.729 -22.862 -9.325 1.00 75.33 C ATOM 1205 O SER A 77 7.518 -22.049 -9.808 1.00 72.25 O ATOM 1206 CB SER A 77 4.882 -23.765 -10.751 1.00 71.21 C ATOM 1207 OG SER A 77 4.721 -24.441 -11.986 1.00 52.52 O ATOM 0 H SER A 77 5.265 -25.711 -9.290 1.00 62.14 H new ATOM 0 HA SER A 77 6.967 -24.253 -10.932 1.00 60.14 H new ATOM 0 HB2 SER A 77 4.094 -24.068 -10.062 1.00 71.21 H new ATOM 0 HB3 SER A 77 4.776 -22.691 -10.904 1.00 71.21 H new ATOM 0 HG SER A 77 3.839 -24.235 -12.359 1.00 52.52 H new ATOM 1213 N LEU A 78 6.246 -22.755 -8.093 1.00 21.34 N ATOM 1214 CA LEU A 78 6.625 -21.653 -7.215 1.00 72.43 C ATOM 1215 C LEU A 78 8.126 -21.664 -6.944 1.00 30.54 C ATOM 1216 O LEU A 78 8.822 -20.684 -7.210 1.00 21.14 O ATOM 1217 CB LEU A 78 5.855 -21.738 -5.896 1.00 20.31 C ATOM 1218 CG LEU A 78 4.688 -20.763 -5.735 1.00 71.40 C ATOM 1219 CD1 LEU A 78 5.168 -19.328 -5.882 1.00 22.23 C ATOM 1220 CD2 LEU A 78 3.595 -21.068 -6.748 1.00 23.31 C ATOM 0 H LEU A 78 5.591 -23.418 -7.679 1.00 21.34 H new ATOM 0 HA LEU A 78 6.373 -20.718 -7.716 1.00 72.43 H new ATOM 0 HB2 LEU A 78 5.472 -22.753 -5.787 1.00 20.31 H new ATOM 0 HB3 LEU A 78 6.556 -21.572 -5.078 1.00 20.31 H new ATOM 0 HG LEU A 78 4.273 -20.885 -4.735 1.00 71.40 H new ATOM 0 HD11 LEU A 78 4.324 -18.648 -5.764 1.00 22.23 H new ATOM 0 HD12 LEU A 78 5.915 -19.114 -5.118 1.00 22.23 H new ATOM 0 HD13 LEU A 78 5.609 -19.191 -6.869 1.00 22.23 H new ATOM 0 HD21 LEU A 78 2.773 -20.364 -6.619 1.00 23.31 H new ATOM 0 HD22 LEU A 78 3.997 -20.975 -7.757 1.00 23.31 H new ATOM 0 HD23 LEU A 78 3.231 -22.084 -6.595 1.00 23.31 H new ATOM 1232 N TYR A 79 8.617 -22.779 -6.414 1.00 40.31 N ATOM 1233 CA TYR A 79 10.036 -22.917 -6.106 1.00 41.52 C ATOM 1234 C TYR A 79 10.893 -22.575 -7.321 1.00 11.43 C ATOM 1235 O TYR A 79 12.022 -22.105 -7.185 1.00 53.34 O ATOM 1236 CB TYR A 79 10.341 -24.341 -5.638 1.00 72.35 C ATOM 1237 CG TYR A 79 11.535 -24.432 -4.715 1.00 62.30 C ATOM 1238 CD1 TYR A 79 11.502 -23.869 -3.446 1.00 12.24 C ATOM 1239 CD2 TYR A 79 12.698 -25.080 -5.113 1.00 61.42 C ATOM 1240 CE1 TYR A 79 12.591 -23.949 -2.599 1.00 32.42 C ATOM 1241 CE2 TYR A 79 13.791 -25.166 -4.274 1.00 25.32 C ATOM 1242 CZ TYR A 79 13.733 -24.599 -3.018 1.00 2.02 C ATOM 1243 OH TYR A 79 14.820 -24.682 -2.178 1.00 41.35 O ATOM 0 H TYR A 79 8.054 -23.599 -6.189 1.00 40.31 H new ATOM 0 HA TYR A 79 10.278 -22.218 -5.305 1.00 41.52 H new ATOM 0 HB2 TYR A 79 9.466 -24.742 -5.127 1.00 72.35 H new ATOM 0 HB3 TYR A 79 10.517 -24.971 -6.510 1.00 72.35 H new ATOM 0 HD1 TYR A 79 10.609 -23.359 -3.115 1.00 12.24 H new ATOM 0 HD2 TYR A 79 12.748 -25.524 -6.096 1.00 61.42 H new ATOM 0 HE1 TYR A 79 12.548 -23.505 -1.615 1.00 32.42 H new ATOM 0 HE2 TYR A 79 14.687 -25.674 -4.599 1.00 25.32 H new ATOM 0 HH TYR A 79 15.542 -25.173 -2.624 1.00 41.35 H new ATOM 1253 N ASN A 80 10.347 -22.813 -8.509 1.00 11.24 N ATOM 1254 CA ASN A 80 11.059 -22.530 -9.749 1.00 64.42 C ATOM 1255 C ASN A 80 11.161 -21.027 -9.987 1.00 43.22 C ATOM 1256 O ASN A 80 12.254 -20.488 -10.172 1.00 0.14 O ATOM 1257 CB ASN A 80 10.354 -23.198 -10.931 1.00 41.13 C ATOM 1258 CG ASN A 80 10.839 -24.615 -11.169 1.00 44.21 C ATOM 1259 OD1 ASN A 80 11.677 -25.128 -10.426 1.00 74.41 O ATOM 1260 ND2 ASN A 80 10.316 -25.253 -12.208 1.00 34.45 N ATOM 0 H ASN A 80 9.413 -23.202 -8.639 1.00 11.24 H new ATOM 0 HA ASN A 80 12.067 -22.935 -9.660 1.00 64.42 H new ATOM 0 HB2 ASN A 80 9.279 -23.211 -10.749 1.00 41.13 H new ATOM 0 HB3 ASN A 80 10.518 -22.605 -11.831 1.00 41.13 H new ATOM 0 HD21 ASN A 80 10.605 -26.208 -12.418 1.00 34.45 H new ATOM 0 HD22 ASN A 80 9.624 -24.788 -12.796 1.00 34.45 H new ATOM 1267 N THR A 81 10.016 -20.353 -9.980 1.00 52.52 N ATOM 1268 CA THR A 81 9.975 -18.912 -10.196 1.00 61.12 C ATOM 1269 C THR A 81 10.688 -18.168 -9.073 1.00 45.44 C ATOM 1270 O THR A 81 11.588 -17.364 -9.321 1.00 73.11 O ATOM 1271 CB THR A 81 8.526 -18.399 -10.297 1.00 71.22 C ATOM 1272 OG1 THR A 81 7.816 -19.134 -11.299 1.00 34.11 O ATOM 1273 CG2 THR A 81 8.499 -16.916 -10.633 1.00 52.45 C ATOM 0 H THR A 81 9.103 -20.782 -9.827 1.00 52.52 H new ATOM 0 HA THR A 81 10.487 -18.719 -11.139 1.00 61.12 H new ATOM 0 HB THR A 81 8.044 -18.544 -9.330 1.00 71.22 H new ATOM 0 HG1 THR A 81 7.669 -20.052 -10.989 1.00 34.11 H new ATOM 0 HG21 THR A 81 7.465 -16.577 -10.699 1.00 52.45 H new ATOM 0 HG22 THR A 81 9.015 -16.357 -9.853 1.00 52.45 H new ATOM 0 HG23 THR A 81 8.997 -16.750 -11.588 1.00 52.45 H new ATOM 1281 N ILE A 82 10.283 -18.441 -7.837 1.00 72.13 N ATOM 1282 CA ILE A 82 10.885 -17.797 -6.676 1.00 71.43 C ATOM 1283 C ILE A 82 12.399 -17.972 -6.675 1.00 42.34 C ATOM 1284 O ILE A 82 13.130 -17.144 -6.131 1.00 41.13 O ATOM 1285 CB ILE A 82 10.313 -18.361 -5.362 1.00 24.00 C ATOM 1286 CG1 ILE A 82 8.796 -18.171 -5.316 1.00 54.53 C ATOM 1287 CG2 ILE A 82 10.973 -17.688 -4.167 1.00 22.34 C ATOM 1288 CD1 ILE A 82 8.106 -19.057 -4.303 1.00 72.11 C ATOM 0 H ILE A 82 9.540 -19.104 -7.614 1.00 72.13 H new ATOM 0 HA ILE A 82 10.645 -16.736 -6.742 1.00 71.43 H new ATOM 0 HB ILE A 82 10.527 -19.429 -5.319 1.00 24.00 H new ATOM 0 HG12 ILE A 82 8.575 -17.129 -5.085 1.00 54.53 H new ATOM 0 HG13 ILE A 82 8.383 -18.373 -6.304 1.00 54.53 H new ATOM 0 HG21 ILE A 82 10.559 -18.096 -3.245 1.00 22.34 H new ATOM 0 HG22 ILE A 82 12.047 -17.870 -4.194 1.00 22.34 H new ATOM 0 HG23 ILE A 82 10.786 -16.615 -4.205 1.00 22.34 H new ATOM 0 HD11 ILE A 82 7.033 -18.868 -4.326 1.00 72.11 H new ATOM 0 HD12 ILE A 82 8.296 -20.103 -4.545 1.00 72.11 H new ATOM 0 HD13 ILE A 82 8.492 -18.839 -3.307 1.00 72.11 H new ATOM 1300 N ALA A 83 12.866 -19.054 -7.290 1.00 60.10 N ATOM 1301 CA ALA A 83 14.294 -19.335 -7.364 1.00 24.31 C ATOM 1302 C ALA A 83 14.995 -18.374 -8.317 1.00 53.23 C ATOM 1303 O ALA A 83 15.876 -17.616 -7.913 1.00 65.52 O ATOM 1304 CB ALA A 83 14.526 -20.775 -7.799 1.00 62.20 C ATOM 0 H ALA A 83 12.275 -19.750 -7.744 1.00 60.10 H new ATOM 0 HA ALA A 83 14.719 -19.193 -6.370 1.00 24.31 H new ATOM 0 HB1 ALA A 83 15.597 -20.972 -7.850 1.00 62.20 H new ATOM 0 HB2 ALA A 83 14.067 -21.451 -7.078 1.00 62.20 H new ATOM 0 HB3 ALA A 83 14.080 -20.935 -8.781 1.00 62.20 H new ATOM 1310 N VAL A 84 14.596 -18.409 -9.585 1.00 53.43 N ATOM 1311 CA VAL A 84 15.187 -17.540 -10.596 1.00 33.14 C ATOM 1312 C VAL A 84 15.167 -16.083 -10.147 1.00 44.24 C ATOM 1313 O VAL A 84 16.132 -15.345 -10.353 1.00 62.12 O ATOM 1314 CB VAL A 84 14.446 -17.660 -11.941 1.00 34.53 C ATOM 1315 CG1 VAL A 84 15.065 -16.734 -12.977 1.00 1.04 C ATOM 1316 CG2 VAL A 84 14.457 -19.101 -12.427 1.00 73.45 C ATOM 0 H VAL A 84 13.866 -19.029 -9.936 1.00 53.43 H new ATOM 0 HA VAL A 84 16.220 -17.863 -10.728 1.00 33.14 H new ATOM 0 HB VAL A 84 13.409 -17.358 -11.793 1.00 34.53 H new ATOM 0 HG11 VAL A 84 14.528 -16.833 -13.920 1.00 1.04 H new ATOM 0 HG12 VAL A 84 15.000 -15.703 -12.629 1.00 1.04 H new ATOM 0 HG13 VAL A 84 16.111 -17.001 -13.125 1.00 1.04 H new ATOM 0 HG21 VAL A 84 13.929 -19.168 -13.378 1.00 73.45 H new ATOM 0 HG22 VAL A 84 15.487 -19.433 -12.559 1.00 73.45 H new ATOM 0 HG23 VAL A 84 13.963 -19.737 -11.692 1.00 73.45 H new ATOM 1326 N LEU A 85 14.064 -15.674 -9.531 1.00 74.13 N ATOM 1327 CA LEU A 85 13.917 -14.304 -9.052 1.00 45.24 C ATOM 1328 C LEU A 85 14.896 -14.018 -7.917 1.00 13.43 C ATOM 1329 O LEU A 85 15.628 -13.028 -7.950 1.00 3.43 O ATOM 1330 CB LEU A 85 12.485 -14.058 -8.579 1.00 13.25 C ATOM 1331 CG LEU A 85 12.052 -12.594 -8.479 1.00 73.25 C ATOM 1332 CD1 LEU A 85 11.886 -11.992 -9.867 1.00 2.34 C ATOM 1333 CD2 LEU A 85 10.760 -12.472 -7.686 1.00 4.11 C ATOM 0 H LEU A 85 13.257 -16.272 -9.351 1.00 74.13 H new ATOM 0 HA LEU A 85 14.139 -13.630 -9.879 1.00 45.24 H new ATOM 0 HB2 LEU A 85 11.806 -14.571 -9.260 1.00 13.25 H new ATOM 0 HB3 LEU A 85 12.363 -14.520 -7.599 1.00 13.25 H new ATOM 0 HG LEU A 85 12.830 -12.040 -7.954 1.00 73.25 H new ATOM 0 HD11 LEU A 85 11.578 -10.950 -9.777 1.00 2.34 H new ATOM 0 HD12 LEU A 85 12.834 -12.045 -10.402 1.00 2.34 H new ATOM 0 HD13 LEU A 85 11.127 -12.549 -10.417 1.00 2.34 H new ATOM 0 HD21 LEU A 85 10.468 -11.424 -7.626 1.00 4.11 H new ATOM 0 HD22 LEU A 85 9.973 -13.040 -8.183 1.00 4.11 H new ATOM 0 HD23 LEU A 85 10.912 -12.865 -6.681 1.00 4.11 H new ATOM 1345 N TYR A 86 14.905 -14.891 -6.916 1.00 35.42 N ATOM 1346 CA TYR A 86 15.792 -14.733 -5.771 1.00 3.42 C ATOM 1347 C TYR A 86 17.237 -14.540 -6.224 1.00 20.00 C ATOM 1348 O TYR A 86 17.913 -13.603 -5.798 1.00 55.30 O ATOM 1349 CB TYR A 86 15.693 -15.950 -4.849 1.00 51.10 C ATOM 1350 CG TYR A 86 16.728 -15.960 -3.748 1.00 23.24 C ATOM 1351 CD1 TYR A 86 16.688 -15.026 -2.720 1.00 51.04 C ATOM 1352 CD2 TYR A 86 17.746 -16.906 -3.733 1.00 2.01 C ATOM 1353 CE1 TYR A 86 17.632 -15.031 -1.711 1.00 72.23 C ATOM 1354 CE2 TYR A 86 18.694 -16.921 -2.727 1.00 35.30 C ATOM 1355 CZ TYR A 86 18.632 -15.982 -1.719 1.00 53.44 C ATOM 1356 OH TYR A 86 19.574 -15.992 -0.715 1.00 52.53 O ATOM 0 H TYR A 86 14.307 -15.716 -6.875 1.00 35.42 H new ATOM 0 HA TYR A 86 15.480 -13.844 -5.222 1.00 3.42 H new ATOM 0 HB2 TYR A 86 14.699 -15.977 -4.402 1.00 51.10 H new ATOM 0 HB3 TYR A 86 15.800 -16.857 -5.445 1.00 51.10 H new ATOM 0 HD1 TYR A 86 15.905 -14.283 -2.709 1.00 51.04 H new ATOM 0 HD2 TYR A 86 17.797 -17.642 -4.521 1.00 2.01 H new ATOM 0 HE1 TYR A 86 17.588 -14.296 -0.921 1.00 72.23 H new ATOM 0 HE2 TYR A 86 19.478 -17.663 -2.730 1.00 35.30 H new ATOM 0 HH TYR A 86 20.055 -16.846 -0.727 1.00 52.53 H new ATOM 1366 N CYS A 87 17.703 -15.432 -7.090 1.00 32.55 N ATOM 1367 CA CYS A 87 19.066 -15.362 -7.602 1.00 32.13 C ATOM 1368 C CYS A 87 19.366 -13.976 -8.161 1.00 74.04 C ATOM 1369 O CYS A 87 20.508 -13.516 -8.133 1.00 32.43 O ATOM 1370 CB CYS A 87 19.282 -16.420 -8.685 1.00 31.14 C ATOM 1371 SG CYS A 87 19.488 -18.099 -8.046 1.00 61.42 S ATOM 0 H CYS A 87 17.156 -16.213 -7.453 1.00 32.55 H new ATOM 0 HA CYS A 87 19.749 -15.556 -6.775 1.00 32.13 H new ATOM 0 HB2 CYS A 87 18.432 -16.404 -9.368 1.00 31.14 H new ATOM 0 HB3 CYS A 87 20.164 -16.154 -9.267 1.00 31.14 H new ATOM 0 HG CYS A 87 18.324 -18.595 -7.746 1.00 61.42 H new ATOM 1377 N VAL A 88 18.333 -13.314 -8.673 1.00 15.34 N ATOM 1378 CA VAL A 88 18.486 -11.979 -9.241 1.00 34.24 C ATOM 1379 C VAL A 88 18.641 -10.931 -8.146 1.00 1.44 C ATOM 1380 O VAL A 88 19.430 -9.993 -8.275 1.00 64.51 O ATOM 1381 CB VAL A 88 17.283 -11.605 -10.126 1.00 73.32 C ATOM 1382 CG1 VAL A 88 17.520 -10.269 -10.814 1.00 71.42 C ATOM 1383 CG2 VAL A 88 17.013 -12.700 -11.149 1.00 42.20 C ATOM 0 H VAL A 88 17.382 -13.680 -8.706 1.00 15.34 H new ATOM 0 HA VAL A 88 19.387 -11.997 -9.854 1.00 34.24 H new ATOM 0 HB VAL A 88 16.403 -11.508 -9.490 1.00 73.32 H new ATOM 0 HG11 VAL A 88 16.659 -10.022 -11.435 1.00 71.42 H new ATOM 0 HG12 VAL A 88 17.660 -9.492 -10.062 1.00 71.42 H new ATOM 0 HG13 VAL A 88 18.411 -10.334 -11.439 1.00 71.42 H new ATOM 0 HG21 VAL A 88 16.159 -12.419 -11.766 1.00 42.20 H new ATOM 0 HG22 VAL A 88 17.891 -12.831 -11.782 1.00 42.20 H new ATOM 0 HG23 VAL A 88 16.795 -13.635 -10.632 1.00 42.20 H new ATOM 1393 N HIS A 89 17.884 -11.094 -7.065 1.00 1.35 N ATOM 1394 CA HIS A 89 17.939 -10.162 -5.943 1.00 75.24 C ATOM 1395 C HIS A 89 19.179 -10.411 -5.091 1.00 33.32 C ATOM 1396 O HIS A 89 19.469 -9.558 -4.252 1.00 35.25 O ATOM 1397 CB HIS A 89 16.680 -10.290 -5.084 1.00 62.33 C ATOM 1398 CG HIS A 89 15.415 -9.987 -5.827 1.00 3.23 C ATOM 1399 ND1 HIS A 89 15.372 -9.178 -6.941 1.00 53.23 N ATOM 1400 CD2 HIS A 89 14.142 -10.391 -5.607 1.00 74.53 C ATOM 1401 CE1 HIS A 89 14.127 -9.096 -7.376 1.00 55.41 C ATOM 1402 NE2 HIS A 89 13.361 -9.825 -6.584 1.00 52.33 N ATOM 0 H HIS A 89 17.225 -11.863 -6.942 1.00 1.35 H new ATOM 0 HA HIS A 89 17.993 -9.150 -6.345 1.00 75.24 H new ATOM 0 HB2 HIS A 89 16.624 -11.303 -4.685 1.00 62.33 H new ATOM 0 HB3 HIS A 89 16.762 -9.616 -4.232 1.00 62.33 H new ATOM 0 HD2 HIS A 89 13.804 -11.038 -4.811 1.00 74.53 H new ATOM 0 HE1 HIS A 89 13.793 -8.530 -8.233 1.00 55.41 H new ATOM 0 HE2 HIS A 89 12.353 -9.947 -6.682 1.00 52.33 H new ATOM 1411 N GLN A 90 19.893 -11.517 -5.274 1.00 75.35 N ATOM 1412 CA GLN A 90 21.084 -11.798 -4.482 1.00 72.33 C ATOM 1413 C GLN A 90 22.349 -11.469 -5.268 1.00 22.42 C ATOM 1414 O GLN A 90 23.025 -10.479 -4.990 1.00 3.02 O ATOM 1415 CB GLN A 90 21.102 -13.265 -4.053 1.00 24.44 C ATOM 1416 CG GLN A 90 22.382 -13.676 -3.342 1.00 33.11 C ATOM 1417 CD GLN A 90 22.159 -14.783 -2.331 1.00 13.03 C ATOM 1418 OE1 GLN A 90 22.458 -14.628 -1.147 1.00 30.13 O ATOM 1419 NE2 GLN A 90 21.629 -15.910 -2.793 1.00 51.22 N ATOM 0 H GLN A 90 19.667 -12.233 -5.964 1.00 75.35 H new ATOM 0 HA GLN A 90 21.056 -11.168 -3.593 1.00 72.33 H new ATOM 0 HB2 GLN A 90 20.254 -13.453 -3.394 1.00 24.44 H new ATOM 0 HB3 GLN A 90 20.967 -13.894 -4.933 1.00 24.44 H new ATOM 0 HG2 GLN A 90 23.113 -14.005 -4.080 1.00 33.11 H new ATOM 0 HG3 GLN A 90 22.807 -12.809 -2.837 1.00 33.11 H new ATOM 0 HE21 GLN A 90 21.396 -15.996 -3.782 1.00 51.22 H new ATOM 0 HE22 GLN A 90 21.455 -16.689 -2.158 1.00 51.22 H new ATOM 1428 N ARG A 91 22.665 -12.308 -6.250 1.00 22.41 N ATOM 1429 CA ARG A 91 23.850 -12.108 -7.074 1.00 51.45 C ATOM 1430 C ARG A 91 23.949 -13.181 -8.154 1.00 63.32 C ATOM 1431 O ARG A 91 24.392 -12.913 -9.271 1.00 3.15 O ATOM 1432 CB ARG A 91 25.110 -12.124 -6.207 1.00 1.34 C ATOM 1433 CG ARG A 91 26.401 -12.140 -7.008 1.00 10.31 C ATOM 1434 CD ARG A 91 27.445 -11.215 -6.402 1.00 0.44 C ATOM 1435 NE ARG A 91 28.730 -11.317 -7.085 1.00 43.23 N ATOM 1436 CZ ARG A 91 29.810 -10.630 -6.727 1.00 64.53 C ATOM 1437 NH1 ARG A 91 29.758 -9.796 -5.699 1.00 1.02 N1+ ATOM 1438 NH2 ARG A 91 30.945 -10.779 -7.399 1.00 54.04 N ATOM 0 H ARG A 91 22.116 -13.133 -6.494 1.00 22.41 H new ATOM 0 HA ARG A 91 23.764 -11.136 -7.559 1.00 51.45 H new ATOM 0 HB2 ARG A 91 25.106 -11.248 -5.559 1.00 1.34 H new ATOM 0 HB3 ARG A 91 25.084 -13.000 -5.559 1.00 1.34 H new ATOM 0 HG2 ARG A 91 26.793 -13.156 -7.048 1.00 10.31 H new ATOM 0 HG3 ARG A 91 26.197 -11.837 -8.035 1.00 10.31 H new ATOM 0 HD2 ARG A 91 27.089 -10.186 -6.451 1.00 0.44 H new ATOM 0 HD3 ARG A 91 27.575 -11.457 -5.347 1.00 0.44 H new ATOM 0 HE ARG A 91 28.804 -11.950 -7.881 1.00 43.23 H new ATOM 0 HH11 ARG A 91 28.888 -9.680 -5.180 1.00 1.02 H new ATOM 0 HH12 ARG A 91 30.588 -9.270 -5.426 1.00 1.02 H new ATOM 0 HH21 ARG A 91 30.989 -11.421 -8.190 1.00 54.04 H new ATOM 0 HH22 ARG A 91 31.774 -10.252 -7.124 1.00 54.04 H new ATOM 1452 N ILE A 92 23.535 -14.397 -7.811 1.00 63.35 N ATOM 1453 CA ILE A 92 23.577 -15.511 -8.752 1.00 5.55 C ATOM 1454 C ILE A 92 22.897 -15.145 -10.067 1.00 23.41 C ATOM 1455 O ILE A 92 21.745 -14.712 -10.082 1.00 3.52 O ATOM 1456 CB ILE A 92 22.902 -16.766 -8.168 1.00 10.12 C ATOM 1457 CG1 ILE A 92 23.575 -17.170 -6.855 1.00 42.02 C ATOM 1458 CG2 ILE A 92 22.953 -17.909 -9.170 1.00 50.11 C ATOM 1459 CD1 ILE A 92 22.605 -17.355 -5.710 1.00 10.44 C ATOM 0 H ILE A 92 23.167 -14.636 -6.890 1.00 63.35 H new ATOM 0 HA ILE A 92 24.629 -15.728 -8.939 1.00 5.55 H new ATOM 0 HB ILE A 92 21.857 -16.536 -7.962 1.00 10.12 H new ATOM 0 HG12 ILE A 92 24.124 -18.099 -7.009 1.00 42.02 H new ATOM 0 HG13 ILE A 92 24.306 -16.409 -6.582 1.00 42.02 H new ATOM 0 HG21 ILE A 92 22.472 -18.789 -8.743 1.00 50.11 H new ATOM 0 HG22 ILE A 92 22.432 -17.617 -10.082 1.00 50.11 H new ATOM 0 HG23 ILE A 92 23.992 -18.141 -9.405 1.00 50.11 H new ATOM 0 HD11 ILE A 92 23.153 -17.641 -4.812 1.00 10.44 H new ATOM 0 HD12 ILE A 92 22.073 -16.421 -5.529 1.00 10.44 H new ATOM 0 HD13 ILE A 92 21.889 -18.137 -5.963 1.00 10.44 H new ATOM 1471 N ASP A 93 23.617 -15.327 -11.168 1.00 74.04 N ATOM 1472 CA ASP A 93 23.082 -15.020 -12.490 1.00 14.35 C ATOM 1473 C ASP A 93 22.944 -16.287 -13.328 1.00 35.33 C ATOM 1474 O ASP A 93 23.638 -16.459 -14.330 1.00 30.51 O ATOM 1475 CB ASP A 93 23.984 -14.015 -13.208 1.00 12.52 C ATOM 1476 CG ASP A 93 25.452 -14.375 -13.101 1.00 25.51 C ATOM 1477 OD1 ASP A 93 26.035 -14.177 -12.014 1.00 71.34 O ATOM 1478 OD2 ASP A 93 26.019 -14.857 -14.105 1.00 22.34 O1- ATOM 0 H ASP A 93 24.572 -15.685 -11.172 1.00 74.04 H new ATOM 0 HA ASP A 93 22.093 -14.581 -12.361 1.00 14.35 H new ATOM 0 HB2 ASP A 93 23.701 -13.964 -14.259 1.00 12.52 H new ATOM 0 HB3 ASP A 93 23.825 -13.022 -12.787 1.00 12.52 H new ATOM 1483 N VAL A 94 22.044 -17.172 -12.910 1.00 1.40 N ATOM 1484 CA VAL A 94 21.814 -18.423 -13.622 1.00 33.11 C ATOM 1485 C VAL A 94 21.191 -18.170 -14.991 1.00 65.41 C ATOM 1486 O VAL A 94 20.775 -17.054 -15.299 1.00 12.10 O ATOM 1487 CB VAL A 94 20.898 -19.366 -12.820 1.00 13.55 C ATOM 1488 CG1 VAL A 94 21.479 -19.627 -11.438 1.00 53.30 C ATOM 1489 CG2 VAL A 94 19.496 -18.784 -12.716 1.00 74.30 C ATOM 0 H VAL A 94 21.462 -17.045 -12.082 1.00 1.40 H new ATOM 0 HA VAL A 94 22.787 -18.897 -13.751 1.00 33.11 H new ATOM 0 HB VAL A 94 20.834 -20.318 -13.347 1.00 13.55 H new ATOM 0 HG11 VAL A 94 20.818 -20.295 -10.886 1.00 53.30 H new ATOM 0 HG12 VAL A 94 22.461 -20.089 -11.538 1.00 53.30 H new ATOM 0 HG13 VAL A 94 21.574 -18.684 -10.899 1.00 53.30 H new ATOM 0 HG21 VAL A 94 18.862 -19.463 -12.146 1.00 74.30 H new ATOM 0 HG22 VAL A 94 19.539 -17.819 -12.212 1.00 74.30 H new ATOM 0 HG23 VAL A 94 19.081 -18.653 -13.716 1.00 74.30 H new ATOM 1499 N LYS A 95 21.130 -19.216 -15.809 1.00 14.14 N ATOM 1500 CA LYS A 95 20.556 -19.110 -17.145 1.00 10.14 C ATOM 1501 C LYS A 95 19.203 -19.811 -17.213 1.00 41.31 C ATOM 1502 O LYS A 95 18.353 -19.463 -18.032 1.00 55.54 O ATOM 1503 CB LYS A 95 21.508 -19.714 -18.180 1.00 73.10 C ATOM 1504 CG LYS A 95 21.998 -18.712 -19.212 1.00 20.44 C ATOM 1505 CD LYS A 95 23.314 -18.079 -18.793 1.00 34.14 C ATOM 1506 CE LYS A 95 24.498 -18.966 -19.147 1.00 31.24 C ATOM 1507 NZ LYS A 95 25.232 -18.463 -20.341 1.00 12.45 N1+ ATOM 0 H LYS A 95 21.471 -20.147 -15.570 1.00 14.14 H new ATOM 0 HA LYS A 95 20.409 -18.053 -17.368 1.00 10.14 H new ATOM 0 HB2 LYS A 95 22.368 -20.142 -17.665 1.00 73.10 H new ATOM 0 HB3 LYS A 95 21.003 -20.533 -18.692 1.00 73.10 H new ATOM 0 HG2 LYS A 95 22.123 -19.210 -20.174 1.00 20.44 H new ATOM 0 HG3 LYS A 95 21.247 -17.934 -19.351 1.00 20.44 H new ATOM 0 HD2 LYS A 95 23.425 -17.111 -19.281 1.00 34.14 H new ATOM 0 HD3 LYS A 95 23.304 -17.895 -17.719 1.00 34.14 H new ATOM 0 HE2 LYS A 95 25.179 -19.018 -18.298 1.00 31.24 H new ATOM 0 HE3 LYS A 95 24.147 -19.980 -19.337 1.00 31.24 H new ATOM 0 HZ1 LYS A 95 26.031 -19.095 -20.549 1.00 12.45 H new ATOM 0 HZ2 LYS A 95 24.589 -18.437 -21.158 1.00 12.45 H new ATOM 0 HZ3 LYS A 95 25.589 -17.505 -20.151 1.00 12.45 H new ATOM 1521 N ASP A 96 19.009 -20.799 -16.346 1.00 43.24 N ATOM 1522 CA ASP A 96 17.759 -21.547 -16.307 1.00 12.24 C ATOM 1523 C ASP A 96 17.342 -21.833 -14.868 1.00 75.00 C ATOM 1524 O ASP A 96 18.151 -21.737 -13.945 1.00 14.35 O ATOM 1525 CB ASP A 96 17.899 -22.859 -17.080 1.00 72.10 C ATOM 1526 CG ASP A 96 19.219 -23.554 -16.807 1.00 12.00 C ATOM 1527 OD1 ASP A 96 19.392 -24.080 -15.687 1.00 54.45 O ATOM 1528 OD2 ASP A 96 20.078 -23.573 -17.712 1.00 51.42 O1- ATOM 0 H ASP A 96 19.702 -21.100 -15.661 1.00 43.24 H new ATOM 0 HA ASP A 96 16.986 -20.939 -16.777 1.00 12.24 H new ATOM 0 HB2 ASP A 96 17.079 -23.525 -16.811 1.00 72.10 H new ATOM 0 HB3 ASP A 96 17.811 -22.659 -18.148 1.00 72.10 H new ATOM 1533 N THR A 97 16.072 -22.184 -14.683 1.00 22.42 N ATOM 1534 CA THR A 97 15.547 -22.482 -13.357 1.00 31.23 C ATOM 1535 C THR A 97 16.344 -23.594 -12.686 1.00 65.54 C ATOM 1536 O THR A 97 16.456 -23.641 -11.460 1.00 60.33 O ATOM 1537 CB THR A 97 14.065 -22.895 -13.420 1.00 32.53 C ATOM 1538 OG1 THR A 97 13.302 -21.884 -14.088 1.00 63.42 O ATOM 1539 CG2 THR A 97 13.505 -23.118 -12.022 1.00 31.40 C ATOM 0 H THR A 97 15.389 -22.269 -15.436 1.00 22.42 H new ATOM 0 HA THR A 97 15.638 -21.569 -12.769 1.00 31.23 H new ATOM 0 HB THR A 97 13.995 -23.830 -13.976 1.00 32.53 H new ATOM 0 HG1 THR A 97 13.670 -21.735 -14.984 1.00 63.42 H new ATOM 0 HG21 THR A 97 12.457 -23.409 -12.092 1.00 31.40 H new ATOM 0 HG22 THR A 97 14.069 -23.908 -11.526 1.00 31.40 H new ATOM 0 HG23 THR A 97 13.588 -22.197 -11.446 1.00 31.40 H new ATOM 1547 N LYS A 98 16.900 -24.489 -13.497 1.00 3.05 N ATOM 1548 CA LYS A 98 17.691 -25.601 -12.982 1.00 34.55 C ATOM 1549 C LYS A 98 18.931 -25.095 -12.252 1.00 75.30 C ATOM 1550 O LYS A 98 19.150 -25.420 -11.085 1.00 31.23 O ATOM 1551 CB LYS A 98 18.103 -26.532 -14.124 1.00 74.24 C ATOM 1552 CG LYS A 98 18.476 -27.931 -13.665 1.00 33.21 C ATOM 1553 CD LYS A 98 19.957 -28.034 -13.341 1.00 61.31 C ATOM 1554 CE LYS A 98 20.486 -29.438 -13.594 1.00 1.34 C ATOM 1555 NZ LYS A 98 21.890 -29.593 -13.125 1.00 64.41 N1+ ATOM 0 H LYS A 98 16.817 -24.466 -14.513 1.00 3.05 H new ATOM 0 HA LYS A 98 17.075 -26.155 -12.274 1.00 34.55 H new ATOM 0 HB2 LYS A 98 17.283 -26.600 -14.839 1.00 74.24 H new ATOM 0 HB3 LYS A 98 18.951 -26.094 -14.651 1.00 74.24 H new ATOM 0 HG2 LYS A 98 17.891 -28.194 -12.784 1.00 33.21 H new ATOM 0 HG3 LYS A 98 18.222 -28.650 -14.443 1.00 33.21 H new ATOM 0 HD2 LYS A 98 20.514 -27.319 -13.947 1.00 61.31 H new ATOM 0 HD3 LYS A 98 20.122 -27.764 -12.298 1.00 61.31 H new ATOM 0 HE2 LYS A 98 19.851 -30.163 -13.085 1.00 1.34 H new ATOM 0 HE3 LYS A 98 20.432 -29.660 -14.660 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 22.214 -30.563 -13.315 1.00 64.41 H new ATOM 0 HZ2 LYS A 98 22.501 -28.919 -13.629 1.00 64.41 H new ATOM 0 HZ3 LYS A 98 21.937 -29.406 -12.103 1.00 64.41 H new ATOM 1569 N GLU A 99 19.736 -24.298 -12.946 1.00 22.10 N ATOM 1570 CA GLU A 99 20.954 -23.749 -12.362 1.00 15.52 C ATOM 1571 C GLU A 99 20.650 -23.028 -11.051 1.00 43.43 C ATOM 1572 O GLU A 99 21.448 -23.061 -10.114 1.00 32.14 O ATOM 1573 CB GLU A 99 21.626 -22.785 -13.342 1.00 44.10 C ATOM 1574 CG GLU A 99 22.834 -23.380 -14.047 1.00 42.03 C ATOM 1575 CD GLU A 99 23.360 -22.489 -15.155 1.00 10.41 C ATOM 1576 OE1 GLU A 99 22.552 -22.053 -16.002 1.00 12.44 O1- ATOM 1577 OE2 GLU A 99 24.581 -22.226 -15.175 1.00 1.42 O ATOM 0 H GLU A 99 19.567 -24.018 -13.912 1.00 22.10 H new ATOM 0 HA GLU A 99 21.633 -24.576 -12.154 1.00 15.52 H new ATOM 0 HB2 GLU A 99 20.897 -22.473 -14.089 1.00 44.10 H new ATOM 0 HB3 GLU A 99 21.935 -21.889 -12.804 1.00 44.10 H new ATOM 0 HG2 GLU A 99 23.626 -23.554 -13.319 1.00 42.03 H new ATOM 0 HG3 GLU A 99 22.565 -24.351 -14.463 1.00 42.03 H new ATOM 1584 N ALA A 100 19.494 -22.376 -10.995 1.00 3.44 N ATOM 1585 CA ALA A 100 19.084 -21.649 -9.800 1.00 52.31 C ATOM 1586 C ALA A 100 18.821 -22.602 -8.640 1.00 12.00 C ATOM 1587 O ALA A 100 18.983 -22.238 -7.474 1.00 72.34 O ATOM 1588 CB ALA A 100 17.846 -20.812 -10.090 1.00 41.44 C ATOM 0 H ALA A 100 18.824 -22.336 -11.763 1.00 3.44 H new ATOM 0 HA ALA A 100 19.899 -20.985 -9.512 1.00 52.31 H new ATOM 0 HB1 ALA A 100 17.551 -20.274 -9.189 1.00 41.44 H new ATOM 0 HB2 ALA A 100 18.067 -20.097 -10.883 1.00 41.44 H new ATOM 0 HB3 ALA A 100 17.032 -21.464 -10.406 1.00 41.44 H new ATOM 1594 N LEU A 101 18.413 -23.823 -8.966 1.00 30.54 N ATOM 1595 CA LEU A 101 18.126 -24.831 -7.949 1.00 52.34 C ATOM 1596 C LEU A 101 19.415 -25.446 -7.413 1.00 34.24 C ATOM 1597 O LEU A 101 19.567 -25.638 -6.207 1.00 20.32 O ATOM 1598 CB LEU A 101 17.227 -25.925 -8.528 1.00 42.32 C ATOM 1599 CG LEU A 101 15.922 -26.189 -7.775 1.00 62.32 C ATOM 1600 CD1 LEU A 101 16.207 -26.774 -6.400 1.00 43.23 C ATOM 1601 CD2 LEU A 101 15.109 -24.910 -7.654 1.00 54.52 C ATOM 0 H LEU A 101 18.273 -24.140 -9.925 1.00 30.54 H new ATOM 0 HA LEU A 101 17.608 -24.343 -7.124 1.00 52.34 H new ATOM 0 HB2 LEU A 101 16.982 -25.660 -9.557 1.00 42.32 H new ATOM 0 HB3 LEU A 101 17.796 -26.854 -8.565 1.00 42.32 H new ATOM 0 HG LEU A 101 15.339 -26.915 -8.342 1.00 62.32 H new ATOM 0 HD11 LEU A 101 15.267 -26.955 -5.880 1.00 43.23 H new ATOM 0 HD12 LEU A 101 16.748 -27.714 -6.509 1.00 43.23 H new ATOM 0 HD13 LEU A 101 16.811 -26.073 -5.824 1.00 43.23 H new ATOM 0 HD21 LEU A 101 14.184 -25.116 -7.116 1.00 54.52 H new ATOM 0 HD22 LEU A 101 15.686 -24.162 -7.110 1.00 54.52 H new ATOM 0 HD23 LEU A 101 14.873 -24.533 -8.649 1.00 54.52 H new ATOM 1613 N ASP A 102 20.339 -25.750 -8.317 1.00 1.31 N ATOM 1614 CA ASP A 102 21.618 -26.340 -7.935 1.00 34.02 C ATOM 1615 C ASP A 102 22.399 -25.400 -7.022 1.00 33.23 C ATOM 1616 O ASP A 102 23.038 -25.837 -6.064 1.00 50.23 O ATOM 1617 CB ASP A 102 22.444 -26.667 -9.179 1.00 24.54 C ATOM 1618 CG ASP A 102 23.238 -27.950 -9.024 1.00 40.15 C ATOM 1619 OD1 ASP A 102 23.980 -28.072 -8.028 1.00 24.02 O1- ATOM 1620 OD2 ASP A 102 23.119 -28.831 -9.902 1.00 70.03 O ATOM 0 H ASP A 102 20.227 -25.598 -9.319 1.00 1.31 H new ATOM 0 HA ASP A 102 21.417 -27.262 -7.390 1.00 34.02 H new ATOM 0 HB2 ASP A 102 21.781 -26.755 -10.040 1.00 24.54 H new ATOM 0 HB3 ASP A 102 23.127 -25.843 -9.386 1.00 24.54 H new ATOM 1625 N LYS A 103 22.343 -24.108 -7.325 1.00 72.03 N ATOM 1626 CA LYS A 103 23.045 -23.105 -6.533 1.00 41.14 C ATOM 1627 C LYS A 103 22.462 -23.016 -5.127 1.00 34.45 C ATOM 1628 O LYS A 103 23.182 -23.141 -4.136 1.00 41.45 O ATOM 1629 CB LYS A 103 22.965 -21.738 -7.217 1.00 64.44 C ATOM 1630 CG LYS A 103 24.285 -21.279 -7.813 1.00 71.34 C ATOM 1631 CD LYS A 103 24.486 -21.829 -9.215 1.00 32.34 C ATOM 1632 CE LYS A 103 25.876 -22.419 -9.389 1.00 43.41 C ATOM 1633 NZ LYS A 103 26.820 -21.442 -10.000 1.00 73.14 N1+ ATOM 0 H LYS A 103 21.818 -23.730 -8.114 1.00 72.03 H new ATOM 0 HA LYS A 103 24.090 -23.406 -6.456 1.00 41.14 H new ATOM 0 HB2 LYS A 103 22.214 -21.779 -8.006 1.00 64.44 H new ATOM 0 HB3 LYS A 103 22.626 -20.998 -6.493 1.00 64.44 H new ATOM 0 HG2 LYS A 103 24.313 -20.190 -7.841 1.00 71.34 H new ATOM 0 HG3 LYS A 103 25.106 -21.603 -7.173 1.00 71.34 H new ATOM 0 HD2 LYS A 103 23.737 -22.595 -9.417 1.00 32.34 H new ATOM 0 HD3 LYS A 103 24.334 -21.033 -9.944 1.00 32.34 H new ATOM 0 HE2 LYS A 103 26.260 -22.737 -8.420 1.00 43.41 H new ATOM 0 HE3 LYS A 103 25.817 -23.308 -10.016 1.00 43.41 H new ATOM 0 HZ1 LYS A 103 27.757 -21.882 -10.102 1.00 73.14 H new ATOM 0 HZ2 LYS A 103 26.467 -21.157 -10.936 1.00 73.14 H new ATOM 0 HZ3 LYS A 103 26.896 -20.604 -9.389 1.00 73.14 H new ATOM 1647 N ILE A 104 21.152 -22.802 -5.047 1.00 45.10 N ATOM 1648 CA ILE A 104 20.473 -22.700 -3.762 1.00 13.12 C ATOM 1649 C ILE A 104 20.606 -23.993 -2.964 1.00 41.34 C ATOM 1650 O ILE A 104 20.615 -23.976 -1.734 1.00 40.32 O ATOM 1651 CB ILE A 104 18.978 -22.372 -3.940 1.00 24.12 C ATOM 1652 CG1 ILE A 104 18.809 -21.066 -4.717 1.00 40.43 C ATOM 1653 CG2 ILE A 104 18.291 -22.281 -2.585 1.00 34.01 C ATOM 1654 CD1 ILE A 104 17.420 -20.874 -5.283 1.00 72.12 C ATOM 0 H ILE A 104 20.541 -22.696 -5.857 1.00 45.10 H new ATOM 0 HA ILE A 104 20.953 -21.888 -3.216 1.00 13.12 H new ATOM 0 HB ILE A 104 18.510 -23.175 -4.510 1.00 24.12 H new ATOM 0 HG12 ILE A 104 19.043 -20.229 -4.059 1.00 40.43 H new ATOM 0 HG13 ILE A 104 19.531 -21.042 -5.533 1.00 40.43 H new ATOM 0 HG21 ILE A 104 17.236 -22.049 -2.727 1.00 34.01 H new ATOM 0 HG22 ILE A 104 18.386 -23.234 -2.064 1.00 34.01 H new ATOM 0 HG23 ILE A 104 18.759 -21.495 -1.992 1.00 34.01 H new ATOM 0 HD11 ILE A 104 17.374 -19.927 -5.821 1.00 72.12 H new ATOM 0 HD12 ILE A 104 17.189 -21.691 -5.966 1.00 72.12 H new ATOM 0 HD13 ILE A 104 16.694 -20.865 -4.470 1.00 72.12 H new ATOM 1666 N GLU A 105 20.713 -25.111 -3.674 1.00 63.34 N ATOM 1667 CA GLU A 105 20.848 -26.413 -3.033 1.00 21.11 C ATOM 1668 C GLU A 105 22.290 -26.660 -2.600 1.00 61.12 C ATOM 1669 O GLU A 105 22.546 -27.394 -1.647 1.00 4.44 O ATOM 1670 CB GLU A 105 20.391 -27.524 -3.980 1.00 65.41 C ATOM 1671 CG GLU A 105 20.637 -28.923 -3.442 1.00 24.23 C ATOM 1672 CD GLU A 105 20.067 -30.003 -4.340 1.00 72.54 C ATOM 1673 OE1 GLU A 105 19.686 -29.683 -5.486 1.00 24.22 O1- ATOM 1674 OE2 GLU A 105 20.002 -31.169 -3.898 1.00 63.23 O ATOM 0 H GLU A 105 20.709 -25.141 -4.694 1.00 63.34 H new ATOM 0 HA GLU A 105 20.214 -26.419 -2.146 1.00 21.11 H new ATOM 0 HB2 GLU A 105 19.326 -27.403 -4.181 1.00 65.41 H new ATOM 0 HB3 GLU A 105 20.910 -27.414 -4.932 1.00 65.41 H new ATOM 0 HG2 GLU A 105 21.709 -29.080 -3.327 1.00 24.23 H new ATOM 0 HG3 GLU A 105 20.194 -29.010 -2.450 1.00 24.23 H new